| 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 | 43.4 | Very low | 68.5 | Low | 238 Ų | 238 | 108.9 Ų | 108.9 | 100% | 1.172 | 59% | 0.585 | S | S | * | * | 0 | 121.6 | 0 | -85.3 | 174.3 | 159 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 3.44Š| |||
| 2 | P | 50.3 | Low | 69.8 | Low | 123 Ų | 123 | 109 Ų | 109 | 80% | 0.799 | 58% | 0.581 | S | S | * | * | trans | -64.3 | 130.8 | 175.7 | 26.9 | -31.2 | 0 | 0 | 0 | 109 | K4 | P2-K4 PolarHBondContact O-N 3.14Å; P2-K4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | S | 64.4 | Low | 70.8 | Confident | 104 Ų | 104 | 108.2 Ų | 108.2 | 73% | 0.727 | 57% | 0.57 | S | S | * | * | trans | -63.7 | 108.7 | 171.8 | 54.1 | 0 | 0 | 0 | 0 | 108.1 | M1 E5 | M1-S3 PolarHBondContact O-N 3.44Å; S3-E5 PolarHBondContact O-N 3.08Å; S3-E5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | K | 66.7 | Low | 71.5 | Confident | 149 Ų | 149 | 109.2 Ų | 109.2 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | trans | -69 | 109.4 | 166.1 | -68.7 | -174.3 | 177.9 | -173.6 | 0 | 106.2 | P2 H6 Q27 | P2-K4 PolarHBondContact O-N 3.14Å; P2-K4 VanDerWaalsContact O-N 3.08Å; K4-H6 PolarHBondContact O-CD2 3.43Å; K4-H6 VanDerWaalsContact O-CD2 3.27Å; K4-H6 PolarHBondContact O-N 3.02Å; K4-Q27 HydrophobicContact CD-CG 4.47Å | ||
| 5 | E | 70.4 | Confident | 72.2 | Confident | 137 Ų | 137 | 104.9 Ų | 104.9 | 64% | 0.64 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 125.4 | 171.3 | -66.5 | -174.1 | 160.5 | 0 | 0 | 108.3 | S3 | S3-E5 PolarHBondContact O-N 3.08Å; S3-E5 VanDerWaalsContact O-N 3.14Å |
| 6 | H | 69.7 | Low | 72.6 | Confident | 81 Ų | 81 | 105.8 Ų | 105.8 | 38% | 0.375 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 127 | 173 | -72.1 | -106.3 | 0 | 0 | 0 | 108.1 | K4 Q27 E105 | K4-H6 PolarHBondContact O-CD2 3.43Å; K4-H6 VanDerWaalsContact O-CD2 3.27Å; K4-H6 PolarHBondContact O-N 3.02Å; H6-Q27 PolarHBondContact CE1-NE2 3.2Å; H6-Q27 PolarHBondContact NE2-NE2 3.27Å; H6-E105 IonicContact ND1-OE1 3.86Å |
| 7 | H | 72.4 | Confident | 72.8 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 48% | 0.477 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.9 | 173.3 | -64.2 | -72.1 | 0 | 0 | 0 | 109.8 | I26 | H7-I26 HydrophobicContact CB-CB 4.37Å; H7-I26 PolarHBondContact N-O 3.47Å; H7-I26 PolarHBondContact O-N 2.96Å |
| 8 | F | 75.7 | Confident | 73.2 | Confident | 78 Ų | 78 | 100.8 Ų | 100.8 | 34% | 0.342 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.2 | 173.8 | -173 | -93.2 | 0 | 0 | 0 | 110.1 | A10 S23 I25 L98 | F8-A10 HydrophobicContact CD1-CB 4.45Å; F8-A10 HydrophobicContact CE1-CB 3.72Å; F8-A10 HydrophobicContact CZ-CB 4.39Å; F8-S23 VanDerWaalsContact CZ-CB 3.44Å; F8-I25 HydrophobicContact CD2-CG1 3.97Å; F8-I25 HydrophobicContact CE2-CG1 4.3Å; F8-L98 HydrophobicContact CE1-CD2 3.95Å; F8-L98 HydrophobicContact CZ-CD2 3.94Å |
| 9 | I | 78.7 | Confident | 73.7 | Confident | 88 Ų | 88 | 95.6 Ų | 95.6 | 45% | 0.451 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.7 | 177.7 | -57.5 | -178.5 | 0 | 0 | 0 | 108.6 | S23 F24 I26 | I9-S23 CarbonylContact O-C 3.53Å; I9-S23 WeakPolarHBondContact O-CA 3.38Å; I9-F24 HydrophobicContact CB-CB 4.42Å; I9-F24 PolarHBondContact N-O 2.85Å; I9-F24 PolarHBondContact O-N 2.95Å; I9-I26 HydrophobicContact CD1-CD1 3.61Å; I9-I26 HydrophobicContact CG1-CD1 4.4Å |
| 10 | A | 80.4 | Confident | 74.1 | Confident | 51 Ų | 51 | 97.1 Ų | 97.1 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | F8 L21 V22 L98 | F8-A10 HydrophobicContact CD1-CB 4.45Å; F8-A10 HydrophobicContact CE1-CB 3.72Å; F8-A10 HydrophobicContact CZ-CB 4.39Å; A10-L21 HydrophobicContact CB-CD1 4.49Å; A10-V22 CarbonylContact C-O 3.43Å; A10-V22 WeakPolarHBondContact CA-O 3.28Å; A10-L98 HydrophobicContact CB-CD2 4.29Å |
| 11 | A | 81.8 | Confident | 74.5 | Confident | 46 Ų | 46 | 92.7 Ų | 92.7 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 132.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L21 V22 | A11-L21 WeakPolarHBondContact O-CA 3.35Å; A11-V22 PolarHBondContact N-O 3.37Å; A11-V22 PolarHBondContact O-N 3.1Å |
| 12 | M | 83.6 | Confident | 76.4 | Confident | 110 Ų | 110 | 82.9 Ų | 82.9 | 54% | 0.542 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.2 | 177.2 | -174.9 | 177.9 | 61.1 | 0 | 0 | 109.4 | I19 R20 L21 V94 | M12-I19 HydrophobicContact CG-CG2 3.41Å; M12-I19 VanDerWaalsContact CG-CG2 3.41Å; M12-I19 HydrophobicContact SD-CG2 3.7Å; M12-R20 WeakPolarHBondContact CA-O 3.33Å; M12-L21 HydrophobicContact CB-CD1 3.85Å; M12-L21 HydrophobicContact CG-CD1 4.29Å; M12-V94 HydrophobicContact SD-CG1 4.17Å; M12-V94 HydrophobicContact SD-CG2 3.54Å; M12-V94 VanDerWaalsContact SD-CG2 3.54Å |
| 13 | F | 83.2 | Confident | 77.7 | Confident | 98 Ų | 98 | 77 Ų | 77 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 143.3 | 176.3 | 55.4 | -84.7 | 0 | 0 | 0 | 111.8 | V15 R20 V22 | F13-V15 HydrophobicContact CD2-CG1 3.82Å; F13-V15 HydrophobicContact CE2-CG1 3.86Å; F13-R20 HydrophobicContact CD1-CB 4.42Å; F13-R20 HydrophobicContact CD2-CB 4.11Å; F13-R20 HydrophobicContact CE1-CB 3.96Å; F13-R20 HydrophobicContact CE2-CB 3.65Å; F13-R20 HydrophobicContact CE2-CG 4.02Å; F13-R20 HydrophobicContact CG-CB 4.49Å; F13-R20 HydrophobicContact CZ-CB 3.56Å; F13-R20 HydrophobicContact CZ-CG 4.25Å; F13-R20 PolarHBondContact N-O 3.46Å; F13-R20 PolarHBondContact O-N 3.41Å; F13-V22 HydrophobicContact CE1-CG2 4.15Å |
| 14 | M | 80 | Confident | 78.3 | Confident | 123 Ų | 123 | 75.4 Ų | 75.4 | 61% | 0.606 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 135.2 | 175.6 | -65.1 | -72.9 | -57.1 | 0 | 0 | 109.4 | I19 F86 | M14-I19 HydrophobicContact CE-CG1 4.31Å; M14-I19 HydrophobicContact SD-CD1 3.61Å; M14-I19 HydrophobicContact SD-CG1 3.29Å; M14-I19 WeakPolarHBondContact SD-CG1 3.49Å; M14-F86 HydrophobicContact CE-CE1 4.3Å; M14-F86 HydrophobicContact CE-CZ 3.88Å |
| 15 | V | 81.8 | Confident | 78.6 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 162.5 | 170.3 | -64.7 | 0 | 0 | 0 | 0 | 109.2 | F13 N17 G18 R20 | F13-V15 HydrophobicContact CD2-CG1 3.82Å; F13-V15 HydrophobicContact CE2-CG1 3.86Å; V15-N17 PolarHBondContact O-N 3.49Å; V15-G18 WeakPolarHBondContact CG2-O 3.5Å; V15-G18 PolarHBondContact N-O 3.42Å; V15-G18 PolarHBondContact O-N 3.21Å; V15-R20 HydrophobicContact CG1-CG 3.94Å; V15-R20 HydrophobicContact CG2-CG 4.03Å |
| 16 | S | 79.2 | Confident | 78.6 | Confident | 120 Ų | 120 | 64.3 Ų | 64.3 | 84% | 0.839 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -30.7 | -176.4 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 17 | N | 76.3 | Confident | 78.6 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 13.8 | -177.1 | -64.8 | -37.7 | 0 | 0 | 0 | 114.3 | V15 R41 V42 | V15-N17 PolarHBondContact O-N 3.49Å; N17-R41 WeakPolarHBondContact O-CA 3.34Å; N17-V42 PolarHBondContact O-N 3.18Å |
| 18 | G | 80.2 | Confident | 78.4 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.3 | -133.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V15 C40 | V15-G18 WeakPolarHBondContact CG2-O 3.5Å; V15-G18 PolarHBondContact N-O 3.42Å; V15-G18 PolarHBondContact O-N 3.21Å; G18-C40 CarbonylContact C-O 3.48Å; G18-C40 VanDerWaalsContact CA-O 3.23Å; G18-C40 WeakPolarHBondContact CA-O 3.21Å |
| 19 | I | 81.4 | Confident | 78 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.1 | -174.6 | -70.9 | 168.5 | 0 | 0 | 0 | 110.3 | M12 M14 T39 C40 V90 V94 | M12-I19 HydrophobicContact CG-CG2 3.41Å; M12-I19 VanDerWaalsContact CG-CG2 3.41Å; M12-I19 HydrophobicContact SD-CG2 3.7Å; M14-I19 HydrophobicContact CE-CG1 4.31Å; M14-I19 HydrophobicContact SD-CD1 3.61Å; M14-I19 HydrophobicContact SD-CG1 3.29Å; M14-I19 WeakPolarHBondContact SD-CG1 3.49Å; I19-T39 CarbonylContact O-C 3.52Å; I19-T39 VanDerWaalsContact O-CA 3.3Å; I19-T39 WeakPolarHBondContact O-CA 3.25Å; I19-C40 HydrophobicContact CB-CB 4.16Å; I19-C40 PolarHBondContact N-O 3.46Å; I19-C40 PolarHBondContact O-N 3.5Å; I19-V90 HydrophobicContact CD1-CB 3.76Å; I19-V90 HydrophobicContact CD1-CG1 3.06Å; I19-V90 HydrophobicContact CD1-CG2 3.4Å; I19-V90 VanDerWaalsContact CD1-CG2 3.4Å; I19-V90 HydrophobicContact CG1-CG2 4.45Å; I19-V94 HydrophobicContact CG2-CG2 4.29Å |
| 20 | R | 81.9 | Confident | 77.4 | Confident | 126 Ų | 126 | 70 Ų | 70 | 48% | 0.475 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.1 | 166.2 | -61.3 | -165.5 | -179.6 | -150.9 | 3 | 109.5 | M12 F13 V15 G38 T39 | M12-R20 WeakPolarHBondContact CA-O 3.33Å; F13-R20 HydrophobicContact CD1-CB 4.42Å; F13-R20 HydrophobicContact CD2-CB 4.11Å; F13-R20 HydrophobicContact CE1-CB 3.96Å; F13-R20 HydrophobicContact CE2-CB 3.65Å; F13-R20 HydrophobicContact CE2-CG 4.02Å; F13-R20 HydrophobicContact CG-CB 4.49Å; F13-R20 HydrophobicContact CZ-CB 3.56Å; F13-R20 HydrophobicContact CZ-CG 4.25Å; F13-R20 PolarHBondContact N-O 3.46Å; F13-R20 PolarHBondContact O-N 3.41Å; V15-R20 HydrophobicContact CG1-CG 3.94Å; V15-R20 HydrophobicContact CG2-CG 4.03Å; R20-G38 WeakPolarHBondContact CA-O 3.5Å; R20-T39 HydrophobicContact CG-CG2 4.27Å |
| 21 | L | 83.7 | Confident | 76.8 | Confident | 5 Ų | 5 | 72.8 Ų | 72.8 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.3 | 172.9 | -172.6 | 76 | 0 | 0 | 0 | 107.8 | A10 A11 M12 A37 G38 I97 L98 | A10-L21 HydrophobicContact CB-CD1 4.49Å; A11-L21 WeakPolarHBondContact O-CA 3.35Å; M12-L21 HydrophobicContact CB-CD1 3.85Å; M12-L21 HydrophobicContact CG-CD1 4.29Å; L21-A37 CarbonylContact O-C 3.49Å; L21-A37 VanDerWaalsContact O-CA 3.29Å; L21-A37 WeakPolarHBondContact O-CA 3.38Å; L21-G38 PolarHBondContact N-O 3.37Å; L21-G38 PolarHBondContact O-N 2.87Å; L21-I97 HydrophobicContact CB-CD1 4.3Å; L21-I97 HydrophobicContact CD2-CB 3.8Å; L21-I97 HydrophobicContact CD2-CG2 3.52Å; L21-L98 HydrophobicContact CD2-CD2 3.86Å; L21-L98 HydrophobicContact CD2-CG 3.96Å |
| 22 | V | 82 | Confident | 76.2 | Confident | 31 Ų | 31 | 75 Ų | 75 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.1 | 168.3 | -175 | 0 | 0 | 0 | 0 | 107 | A10 A11 F13 F24 T35 I36 | A10-V22 CarbonylContact C-O 3.43Å; A10-V22 WeakPolarHBondContact CA-O 3.28Å; A11-V22 PolarHBondContact N-O 3.37Å; A11-V22 PolarHBondContact O-N 3.1Å; F13-V22 HydrophobicContact CE1-CG2 4.15Å; V22-F24 HydrophobicContact CB-CE2 4.36Å; V22-F24 HydrophobicContact CB-CZ 4.45Å; V22-F24 HydrophobicContact CG1-CD2 4.36Å; V22-F24 HydrophobicContact CG1-CE1 3.93Å; V22-F24 HydrophobicContact CG1-CE2 3.62Å; V22-F24 HydrophobicContact CG1-CZ 3.38Å; V22-T35 HydrophobicContact CG1-CG2 3.7Å; V22-I36 CarbonylContact C-O 3.48Å; V22-I36 VanDerWaalsContact CA-O 3.25Å; V22-I36 WeakPolarHBondContact CA-O 3.43Å |
| 23 | S | 79.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140 | 175.4 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | F8 I9 T35 I36 | F8-S23 VanDerWaalsContact CZ-CB 3.44Å; I9-S23 CarbonylContact O-C 3.53Å; I9-S23 WeakPolarHBondContact O-CA 3.38Å; S23-T35 CarbonylContact O-C 3.53Å; S23-T35 WeakPolarHBondContact O-CA 3.21Å; S23-I36 PolarHBondContact N-O 3.24Å; S23-I36 PolarHBondContact O-N 3.15Å |
| 24 | F | 76.3 | Confident | 74.6 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 31% | 0.307 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.1 | -179.5 | -56.7 | -81.9 | 0 | 0 | 0 | 108.4 | I9 V22 L32 V34 T35 | I9-F24 HydrophobicContact CB-CB 4.42Å; I9-F24 PolarHBondContact N-O 2.85Å; I9-F24 PolarHBondContact O-N 2.95Å; V22-F24 HydrophobicContact CB-CE2 4.36Å; V22-F24 HydrophobicContact CB-CZ 4.45Å; V22-F24 HydrophobicContact CG1-CD2 4.36Å; V22-F24 HydrophobicContact CG1-CE1 3.93Å; V22-F24 HydrophobicContact CG1-CE2 3.62Å; V22-F24 HydrophobicContact CG1-CZ 3.38Å; F24-L32 HydrophobicContact CB-CD1 3.7Å; F24-L32 HydrophobicContact CD1-CD1 3.73Å; F24-L32 HydrophobicContact CD1-CD2 4.27Å; F24-L32 HydrophobicContact CG-CD1 4.18Å; F24-V34 WeakPolarHBondContact CA-O 3.42Å; F24-T35 HydrophobicContact CD1-CG2 4.09Å; F24-T35 HydrophobicContact CE1-CG2 3.83Å |
| 25 | I | 73.2 | Confident | 74.1 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.7 | 170.3 | -51.6 | -178 | 0 | 0 | 0 | 107.4 | F8 I33 V34 E105 | F8-I25 HydrophobicContact CD2-CG1 3.97Å; F8-I25 HydrophobicContact CE2-CG1 4.3Å; I25-I33 HydrophobicContact CB-CB 4.37Å; I25-I33 HydrophobicContact CB-CD1 4.43Å; I25-I33 HydrophobicContact CG2-CB 4.48Å; I25-I33 HydrophobicContact CG2-CD1 3.66Å; I25-I33 HydrophobicContact CG2-CG1 4.24Å; I25-I33 PolarHBondContact O-N 3.31Å; I25-V34 HydrophobicContact CD1-CB 4.12Å; I25-V34 HydrophobicContact CD1-CG2 4.4Å; I25-V34 HydrophobicContact CG1-CB 4.35Å; I25-V34 PolarHBondContact N-O 3.46Å; I25-E105 HydrophobicContact CD1-CB 4.27Å; I25-E105 HydrophobicContact CD1-CG 4.13Å |
| 26 | I | 70.9 | Confident | 73.4 | Confident | 48 Ų | 48 | 68.6 Ų | 68.6 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.1 | -179.3 | -57.6 | 175.7 | 0 | 0 | 0 | 108.6 | H7 I9 S28 E31 L32 | H7-I26 HydrophobicContact CB-CB 4.37Å; H7-I26 PolarHBondContact N-O 3.47Å; H7-I26 PolarHBondContact O-N 2.96Å; I9-I26 HydrophobicContact CD1-CD1 3.61Å; I9-I26 HydrophobicContact CG1-CD1 4.4Å; I26-S28 VanDerWaalsContact CG2-O 3.28Å; I26-S28 WeakPolarHBondContact CG2-O 3.33Å; I26-E31 CarbonylContact C-O 3.53Å; I26-E31 WeakPolarHBondContact CA-O 3.39Å; I26-L32 HydrophobicContact CG1-CD1 4.43Å |
| 27 | Q | 68.7 | Low | 73.2 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 93.1 | 175.1 | -152.5 | 167.4 | 16.5 | 0 | 0 | 108.7 | K4 H6 E31 I33 | K4-Q27 HydrophobicContact CD-CG 4.47Å; H6-Q27 PolarHBondContact CE1-NE2 3.2Å; H6-Q27 PolarHBondContact NE2-NE2 3.27Å; Q27-E31 HydrophobicContact CB-CB 4.4Å; Q27-E31 PolarHBondContact N-O 2.71Å; Q27-E31 WeakPolarHBondContact O-CB 3.21Å; Q27-I33 HydrophobicContact CB-CD1 3.51Å; Q27-I33 HydrophobicContact CB-CG1 3.57Å; Q27-I33 HydrophobicContact CG-CD1 3.95Å; Q27-I33 HydrophobicContact CG-CG1 4.47Å |
| 28 | S | 69.1 | Low | 73.3 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 61.6 | 167.9 | -173.3 | 82.2 | 0 | 0 | 0 | 0 | 114.2 | I26 H30 E31 | I26-S28 VanDerWaalsContact CG2-O 3.28Å; I26-S28 WeakPolarHBondContact CG2-O 3.33Å; S28-H30 PolarHBondContact O-N 2.89Å; S28-E31 PolarHBondContact O-N 2.99Å |
| 29 | Q | 67.2 | Low | 73.4 | Confident | 178 Ų | 178 | 65 Ų | 65 | 83% | 0.832 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -7.9 | -157.1 | -69.1 | 179.9 | -17.5 | 0 | 0 | 117.3 | ||
| 30 | H | 65.6 | Low | 73.4 | Confident | 176 Ų | 176 | 65.3 Ų | 65.3 | 82% | 0.815 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.4 | 1.5 | -171 | -64 | 69.6 | 0 | 0 | 0 | 114.9 | S28 | S28-H30 PolarHBondContact O-N 2.89Š|
| 31 | E | 67.2 | Low | 73.4 | Confident | 108 Ų | 108 | 68.5 Ų | 68.5 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | trans | -116 | 112.6 | -176.6 | -160.8 | 173.4 | -172.3 | 0 | 0 | 111.2 | I26 Q27 S28 | I26-E31 CarbonylContact C-O 3.53Å; I26-E31 WeakPolarHBondContact CA-O 3.39Å; Q27-E31 HydrophobicContact CB-CB 4.4Å; Q27-E31 PolarHBondContact N-O 2.71Å; Q27-E31 WeakPolarHBondContact O-CB 3.21Å; S28-E31 PolarHBondContact O-N 2.99Å | ||
| 32 | L | 68.9 | Low | 72.7 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.4 | 167.6 | 177.7 | 70.8 | 0 | 0 | 0 | 108.2 | F24 I26 | F24-L32 HydrophobicContact CB-CD1 3.7Å; F24-L32 HydrophobicContact CD1-CD1 3.73Å; F24-L32 HydrophobicContact CD1-CD2 4.27Å; F24-L32 HydrophobicContact CG-CD1 4.18Å; I26-L32 HydrophobicContact CG1-CD1 4.43Å |
| 33 | I | 68.4 | Low | 71.9 | Confident | 72 Ų | 72 | 78 Ų | 78 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -51.2 | -177.6 | -41.2 | 176.8 | 0 | 0 | 0 | 110.9 | I25 Q27 | I25-I33 HydrophobicContact CB-CB 4.37Å; I25-I33 HydrophobicContact CB-CD1 4.43Å; I25-I33 HydrophobicContact CG2-CB 4.48Å; I25-I33 HydrophobicContact CG2-CD1 3.66Å; I25-I33 HydrophobicContact CG2-CG1 4.24Å; I25-I33 PolarHBondContact O-N 3.31Å; Q27-I33 HydrophobicContact CB-CD1 3.51Å; Q27-I33 HydrophobicContact CB-CG1 3.57Å; Q27-I33 HydrophobicContact CG-CD1 3.95Å; Q27-I33 HydrophobicContact CG-CG1 4.47Å |
| 34 | V | 64.9 | Low | 71.2 | Confident | 58 Ų | 58 | 86 Ų | 86 | 35% | 0.352 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 136.5 | -167.6 | -172.7 | 0 | 0 | 0 | 0 | 110 | F24 I25 I36 | F24-V34 WeakPolarHBondContact CA-O 3.42Å; I25-V34 HydrophobicContact CD1-CB 4.12Å; I25-V34 HydrophobicContact CD1-CG2 4.4Å; I25-V34 HydrophobicContact CG1-CB 4.35Å; I25-V34 PolarHBondContact N-O 3.46Å; V34-I36 HydrophobicContact CG1-CD1 4.19Å; V34-I36 HydrophobicContact CG1-CG1 3.79Å |
| 35 | T | 69.1 | Low | 70.5 | Confident | 72 Ų | 72 | 90.6 Ų | 90.6 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.7 | 167 | -57 | 0 | 0 | 0 | 0 | 109.9 | V22 S23 F24 | V22-T35 HydrophobicContact CG1-CG2 3.7Å; S23-T35 CarbonylContact O-C 3.53Å; S23-T35 WeakPolarHBondContact O-CA 3.21Å; F24-T35 HydrophobicContact CD1-CG2 4.09Å; F24-T35 HydrophobicContact CE1-CG2 3.83Å |
| 36 | I | 68.1 | Low | 69.5 | Low | 38 Ų | 38 | 101.2 Ų | 101.2 | 20% | 0.195 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.8 | 177.5 | -58.5 | 179.2 | 0 | 0 | 0 | 108.7 | V22 S23 V34 I97 S101 | V22-I36 CarbonylContact C-O 3.48Å; V22-I36 VanDerWaalsContact CA-O 3.25Å; V22-I36 WeakPolarHBondContact CA-O 3.43Å; S23-I36 PolarHBondContact N-O 3.24Å; S23-I36 PolarHBondContact O-N 3.15Å; V34-I36 HydrophobicContact CG1-CD1 4.19Å; V34-I36 HydrophobicContact CG1-CG1 3.79Å; I36-I97 HydrophobicContact CG2-CG2 4.17Å; I36-S101 WeakPolarHBondContact CD1-OG 3.39Å; I36-S101 WeakPolarHBondContact CG2-OG 3.37Å |
| 37 | A | 74.1 | Confident | 68.6 | Low | 83 Ų | 83 | 104.9 Ų | 104.9 | 69% | 0.686 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | L21 | L21-A37 CarbonylContact O-C 3.49Å; L21-A37 VanDerWaalsContact O-CA 3.29Å; L21-A37 WeakPolarHBondContact O-CA 3.38Å |
| 38 | G | 79.9 | Confident | 67.7 | Low | 11 Ų | 11 | 107.4 Ų | 107.4 | 11% | 0.113 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 153.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R20 L21 | R20-G38 WeakPolarHBondContact CA-O 3.5Å; L21-G38 PolarHBondContact N-O 3.37Å; L21-G38 PolarHBondContact O-N 2.87Å |
| 39 | T | 81.8 | Confident | 66.7 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.1 | 175.3 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | I19 R20 R41 | I19-T39 CarbonylContact O-C 3.52Å; I19-T39 VanDerWaalsContact O-CA 3.3Å; I19-T39 WeakPolarHBondContact O-CA 3.25Å; R20-T39 HydrophobicContact CG-CG2 4.27Å; T39-R41 HydrophobicContact CG2-CG 4.21Å |
| 40 | C | 82.1 | Confident | 66.1 | Low | 6 Ų | 6 | 104.6 Ų | 104.6 | 4% | 0.041 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 105.4 | 173.1 | -57.1 | 0 | 0 | 0 | 0 | 109 | G18 I19 C93 | G18-C40 CarbonylContact C-O 3.48Å; G18-C40 VanDerWaalsContact CA-O 3.23Å; G18-C40 WeakPolarHBondContact CA-O 3.21Å; I19-C40 HydrophobicContact CB-CB 4.16Å; I19-C40 PolarHBondContact N-O 3.46Å; I19-C40 PolarHBondContact O-N 3.5Å; C40-C93 WeakPolarHBondContact CA-SG 3.23Å; C40-C93 HydrophobicContact CB-CB 3.68Å; C40-C93 WeakPolarHBondContact CB-SG 3.08Å; C40-C93 WeakPolarHBondContact SG-CB 3.36Å; C40-C93 CovalentContact SG-SG 2Å; C40-C93 PolarHBondContact SG-SG 2.88Å |
| 41 | R | 80.3 | Confident | 65.1 | Low | 193 Ų | 193 | 103.4 Ų | 103.4 | 73% | 0.728 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 116.4 | 173.5 | -69 | -173.8 | 180 | 174.6 | -0.8 | 110 | N17 T39 R43 | N17-R41 WeakPolarHBondContact O-CA 3.34Å; T39-R41 HydrophobicContact CG2-CG 4.21Å; R41-R43 PolarHBondContact O-N 3.06Å |
| 42 | V | 69.1 | Low | 64.4 | Low | 26 Ų | 26 | 102.9 Ų | 102.9 | 16% | 0.158 | 54% | 0.536 | C | S | . | . | trans | -94.1 | 92.7 | 173.9 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | N17 H44 F86 V90 | N17-V42 PolarHBondContact O-N 3.18Å; V42-H44 PolarHBondContact O-N 2.97Å; V42-F86 HydrophobicContact CB-CD2 4.46Å; V42-F86 HydrophobicContact CB-CE2 3.96Å; V42-F86 HydrophobicContact CG1-CD2 3.82Å; V42-F86 HydrophobicContact CG1-CE2 3.82Å; V42-F86 HydrophobicContact CG2-CD2 4.4Å; V42-F86 HydrophobicContact CG2-CE2 3.82Å; V42-F86 HydrophobicContact CG2-CZ 4.46Å; V42-V90 HydrophobicContact CG2-CG2 4.11Å | ||
| 43 | R | 67.1 | Low | 63.5 | Low | 211 Ų | 211 | 104 Ų | 104 | 80% | 0.796 | 55% | 0.549 | S | S | * | . | trans | -69.2 | 118.7 | 169.7 | -71 | -174.1 | 178.2 | 174.3 | 0.3 | 108.6 | R41 H45 | R41-R43 PolarHBondContact O-N 3.06Å; R43-H45 PolarHBondContact O-N 3.06Å; R43-H45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | H | 64.3 | Low | 62.8 | Low | 168 Ų | 168 | 109.8 Ų | 109.8 | 78% | 0.778 | 57% | 0.572 | S | S | * | * | trans | -60.4 | 117.5 | 160.7 | -68.5 | -77.6 | 0 | 0 | 0 | 107 | V42 R46 | V42-H44 PolarHBondContact O-N 2.97Å; H44-R46 PolarHBondContact O-N 2.97Å | ||
| 45 | H | 60.9 | Low | 62.3 | Low | 166 Ų | 166 | 116.1 Ų | 116.1 | 77% | 0.769 | 59% | 0.594 | S | S | * | * | trans | -60.4 | 109.1 | 166.5 | -167.4 | -66.8 | 0 | 0 | 0 | 105.5 | R43 Q47 | R43-H45 PolarHBondContact O-N 3.06Å; R43-H45 VanDerWaalsContact O-N 3.15Å; H45-Q47 PolarHBondContact O-N 2.84Å | ||
| 46 | R | 52.4 | Low | 61.6 | Low | 227 Ų | 227 | 118.3 Ų | 118.3 | 86% | 0.857 | 61% | 0.608 | S | S | * | * | trans | -51.7 | 110.1 | 174.3 | -143.4 | 176.2 | -171.4 | 177.7 | 1.2 | 104.8 | H44 C48 | H44-R46 PolarHBondContact O-N 2.97Å; R46-C48 PolarHBondContact O-N 2.87Å | ||
| 47 | Q | 50.9 | Low | 61.1 | Low | 126 Ų | 126 | 119.7 Ų | 119.7 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | trans | -66 | 122.7 | 169.6 | -69.2 | 177.9 | 45.8 | 0 | 0 | 104 | H45 S49 R82 | H45-Q47 PolarHBondContact O-N 2.84Å; Q47-S49 VanDerWaalsContact C-N 3.26Å; Q47-S49 PolarHBondContact O-N 2.69Å; Q47-R82 VanDerWaalsContact NE2-CZ 3.32Å | ||
| 48 | C | 50.1 | Low | 60.3 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | trans | -58.8 | 98.1 | 169.7 | -66.2 | 0 | 0 | 0 | 0 | 106.9 | R46 S50 | R46-C48 PolarHBondContact O-N 2.87Å; C48-S50 PolarHBondContact O-N 3.13Å; C48-S50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | S | 48.7 | Very low | 59.6 | Low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | -77.4 | 84.8 | 166.4 | 51.6 | 0 | 0 | 0 | 0 | 106.3 | Q47 I51 | Q47-S49 VanDerWaalsContact C-N 3.26Å; Q47-S49 PolarHBondContact O-N 2.69Å; S49-I51 PolarHBondContact O-N 3.24Å | ||
| 50 | S | 53.6 | Low | 58.5 | Low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | trans | -70.7 | 76.3 | 162.4 | 62.9 | 0 | 0 | 0 | 0 | 107.9 | C48 S52 | C48-S50 PolarHBondContact O-N 3.13Å; C48-S50 VanDerWaalsContact O-N 3.08Å; S50-S52 PolarHBondContact O-N 3.17Å | ||
| 51 | I | 45.3 | Very low | 57.2 | Low | 151 Ų | 151 | 136.9 Ų | 136.9 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | trans | -85.2 | 84.6 | 157.9 | -58.9 | 174 | 0 | 0 | 0 | 104.4 | S49 | S49-I51 PolarHBondContact O-N 3.24Š| ||
| 52 | S | 52.7 | Low | 56.2 | Low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | -68.1 | 129.4 | 161.5 | -66.8 | 0 | 0 | 0 | 0 | 107.2 | S50 K54 | S50-S52 PolarHBondContact O-N 3.17Å; S52-K54 PolarHBondContact O-N 3.08Å | ||
| 53 | P | 50.4 | Low | 55.7 | Low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -60.1 | 130.8 | 172 | 23.6 | -30 | 0 | 0 | 0 | 108.4 | K55 | P53-K55 VanDerWaalsContact C-N 3.29Å; P53-K55 PolarHBondContact O-N 3.02Å | ||
| 54 | K | 53.9 | Low | 54.9 | Low | 195 Ų | 195 | 137.3 Ų | 137.3 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -63.2 | 93.9 | 174.2 | -155.7 | 179.5 | -173.4 | -173.5 | 0 | 106.9 | S52 T56 | S52-K54 PolarHBondContact O-N 3.08Å; K54-T56 VanDerWaalsContact C-N 3.31Å; K54-T56 PolarHBondContact O-N 3.18Å | ||
| 55 | K | 54.2 | Low | 54.6 | Low | 190 Ų | 190 | 135.3 Ų | 135.3 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -69.7 | 91.1 | 171.4 | -164.1 | -175.4 | -174.4 | -171.5 | 0 | 106.8 | P53 A57 | P53-K55 VanDerWaalsContact C-N 3.29Å; P53-K55 PolarHBondContact O-N 3.02Å; K55-A57 HydrophobicContact CD-CB 4.39Å; K55-A57 HydrophobicContact CG-CB 4.05Å; K55-A57 PolarHBondContact O-N 3.26Å; K55-A57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | T | 53.2 | Low | 54.4 | Low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | -77.5 | 80.3 | 158.7 | 44.7 | 0 | 0 | 0 | 0 | 106.5 | K54 | K54-T56 VanDerWaalsContact C-N 3.31Å; K54-T56 PolarHBondContact O-N 3.18Å | ||
| 57 | A | 59.3 | Low | 54.2 | Low | 67 Ų | 67 | 125.3 Ų | 125.3 | 55% | 0.554 | 76% | 0.758 | S | S | * | * | trans | -97.6 | 87.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106 | K55 | K55-A57 HydrophobicContact CD-CB 4.39Å; K55-A57 HydrophobicContact CG-CB 4.05Å; K55-A57 PolarHBondContact O-N 3.26Å; K55-A57 VanDerWaalsContact O-N 3.13Å | ||
| 58 | D | 55.6 | Low | 54.5 | Low | 134 Ų | 134 | 124.4 Ų | 124.4 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | -70.3 | 139.8 | 151.4 | -71.9 | -46.5 | 0 | 0 | 0 | 106.8 | ||||
| 59 | H | 65.9 | Low | 54.5 | Low | 171 Ų | 171 | 123.1 Ų | 123.1 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 97 | 108.5 | 175.1 | -55.8 | -74.6 | 0 | 0 | 0 | 118.5 | ||
| 60 | D | 58.6 | Low | 54.6 | Low | 156 Ų | 156 | 126.2 Ų | 126.2 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 56.8 | 112.3 | 141.7 | -71.8 | -34.7 | 0 | 0 | 0 | 121.5 | ||||
| 61 | G | 54.5 | Low | 54.6 | Low | 74 Ų | 74 | 125.4 Ų | 125.4 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 75.8 | 98.4 | 130.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 62 | S | 58.7 | Low | 55 | Low | 129 Ų | 129 | 124.2 Ų | 124.2 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | 174.5 | 139 | 131.3 | 39.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 63 | L | 59.7 | Low | 55.2 | Low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -80.6 | 159.1 | -179.8 | -77.2 | 152.9 | 0 | 0 | 0 | 112.2 | ||||
| 64 | D | 49.5 | Very low | 55.3 | Low | 148 Ų | 148 | 128.8 Ų | 128.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 61.1 | 112.1 | 160.6 | -70.6 | -26 | 0 | 0 | 0 | 119 | ||||
| 65 | S | 59 | Low | 55.2 | Low | 127 Ų | 127 | 128.3 Ų | 128.3 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | 165.7 | 134.3 | 116.1 | -74.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 66 | G | 55.6 | Low | 55.1 | Low | 67 Ų | 67 | 130.7 Ų | 130.7 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 116.6 | 96.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S68 | G66-S68 PolarHBondContact O-N 3.35Š| ||
| 67 | A | 48 | Very low | 54.9 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 95% | 0.95 | 77% | 0.774 | S | S | * | * | trans | -42.6 | 111.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 68 | S | 57.8 | Low | 54.7 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -119 | 109.2 | 161.8 | 56 | 0 | 0 | 0 | 0 | 107 | G66 | G66-S68 PolarHBondContact O-N 3.35Š| ||
| 69 | G | 50.9 | Low | 54.8 | Low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -57.2 | 159.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 70 | N | 49.8 | Very low | 54.3 | Low | 166 Ų | 166 | 126.8 Ų | 126.8 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -178.9 | 130.9 | 142.3 | -89.3 | -31.1 | 0 | 0 | 0 | 113.5 | ||||
| 71 | C | 53.4 | Low | 54.1 | Low | 80 Ų | 80 | 120.9 Ų | 120.9 | 54% | 0.541 | 75% | 0.748 | S | S | . | * | trans | 56 | 122.9 | 164.4 | -86.1 | 0 | 0 | 0 | 0 | 119.3 | S73 | C71-S73 PolarHBondContact O-N 2.8Š| ||
| 72 | P | 53.7 | Low | 54 | Low | 126 Ų | 126 | 123 Ų | 123 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -56.3 | 129 | 172.3 | 23.8 | -31.7 | 0 | 0 | 0 | 110 | K74 | P72-K74 PolarHBondContact O-N 2.73Å; P72-K74 VanDerWaalsContact O-N 3.14Å | ||
| 73 | S | 56.7 | Low | 53.7 | Low | 116 Ų | 116 | 125.1 Ų | 125.1 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -50.4 | 118.7 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | C71 Q75 | C71-S73 PolarHBondContact O-N 2.8Å; S73-Q75 PolarHBondContact O-N 2.83Å | ||
| 74 | K | 52.6 | Low | 53.8 | Low | 194 Ų | 194 | 122.9 Ų | 122.9 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -35.7 | 99.7 | 171.2 | -63.6 | 167.6 | 178.8 | 172.3 | 0 | 112.3 | P72 R76 | P72-K74 PolarHBondContact O-N 2.73Å; P72-K74 VanDerWaalsContact O-N 3.14Å; K74-R76 PolarHBondContact O-N 3.38Å | ||
| 75 | Q | 52.8 | Low | 54.8 | Low | 185 Ų | 185 | 120.3 Ų | 120.3 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -64.3 | 115.4 | 144.1 | -82.8 | -175.3 | -7.6 | 0 | 0 | 106.1 | S73 P77 | S73-Q75 PolarHBondContact O-N 2.83Å; Q75-P77 WeakPolarHBondContact O-CD 3.31Å | ||
| 76 | R | 51.9 | Low | 55.4 | Low | 240 Ų | 240 | 118.6 Ų | 118.6 | 91% | 0.906 | 68% | 0.679 | S | S | * | * | trans | -60 | 107.4 | 177.7 | -153.2 | 178.2 | -167.6 | 178.5 | 2.8 | 106.9 | K74 S78 | K74-R76 PolarHBondContact O-N 3.38Å; R76-S78 PolarHBondContact O-N 2.94Å | ||
| 77 | P | 49.5 | Very low | 56.3 | Low | 71 Ų | 71 | 117.3 Ų | 117.3 | 46% | 0.461 | 67% | 0.665 | S | S | . | * | trans | -70.4 | 120.7 | 175.2 | -3.2 | 20.5 | 0 | 0 | 0 | 105.7 | Q75 T79 | Q75-P77 WeakPolarHBondContact O-CD 3.31Å; P77-T79 PolarHBondContact O-N 2.98Å; P77-T79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | S | 55.1 | Low | 57.8 | Low | 81 Ų | 81 | 118.5 Ų | 118.5 | 57% | 0.566 | 65% | 0.649 | S | S | * | * | trans | -39.7 | 122.3 | 168.6 | 160.2 | 0 | 0 | 0 | 0 | 109.1 | R76 N80 G81 | R76-S78 PolarHBondContact O-N 2.94Å; S78-N80 PolarHBondContact O-N 3.46Å; S78-N80 PolarHBondContact OG-N 3.19Å; S78-G81 PolarHBondContact O-N 2.85Å | ||
| 79 | T | 57.5 | Low | 58.8 | Low | 122 Ų | 122 | 118.9 Ų | 118.9 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -14.7 | -177.3 | 34.7 | 0 | 0 | 0 | 0 | 112.7 | P77 | P77-T79 PolarHBondContact O-N 2.98Å; P77-T79 VanDerWaalsContact O-N 3.14Å |
| 80 | N | 55.3 | Low | 60 | Low | 135 Ų | 135 | 117 Ų | 117 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -8 | 171.8 | -69.4 | -1.4 | 0 | 0 | 0 | 113.9 | S78 | S78-N80 PolarHBondContact O-N 3.46Å; S78-N80 PolarHBondContact OG-N 3.19Å |
| 81 | G | 54 | Low | 61.5 | Low | 31 Ų | 31 | 115.6 Ų | 115.6 | 32% | 0.32 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | -14.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | S78 | S78-G81 PolarHBondContact O-N 2.85Š|
| 82 | R | 52.1 | Low | 63 | Low | 120 Ų | 120 | 115.7 Ų | 115.7 | 45% | 0.453 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -79.8 | -35.3 | -172.8 | -115.9 | -179 | 178.7 | 177.9 | 2.1 | 113.9 | Q47 N84 M85 | Q47-R82 VanDerWaalsContact NE2-CZ 3.32Å; R82-N84 VanDerWaalsContact C-N 3.27Å; R82-N84 PolarHBondContact O-N 2.91Å; R82-M85 HydrophobicContact CG-CE 3.77Å; R82-M85 PolarHBondContact O-N 2.76Å |
| 83 | Q | 53.5 | Low | 64.5 | Low | 173 Ų | 173 | 111.3 Ų | 111.3 | 81% | 0.808 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.4 | -27.9 | 174.5 | -72.3 | -178.4 | -14.5 | 0 | 0 | 111.7 | M85 | Q83-M85 VanDerWaalsContact C-N 3.29Å; Q83-M85 PolarHBondContact O-N 2Å |
| 84 | N | 62.4 | Low | 65.6 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.5 | -21.2 | 176.1 | -65.6 | -6.9 | 0 | 0 | 0 | 113.2 | R82 K88 | R82-N84 VanDerWaalsContact C-N 3.27Å; R82-N84 PolarHBondContact O-N 2.91Å; N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.88Å |
| 85 | M | 68.6 | Low | 67 | Low | 95 Ų | 95 | 100.6 Ų | 100.6 | 47% | 0.468 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.7 | -34.4 | -177.9 | -81.8 | -166.8 | -83.9 | 0 | 0 | 113.7 | R82 Q83 K89 | R82-M85 HydrophobicContact CG-CE 3.77Å; R82-M85 PolarHBondContact O-N 2.76Å; Q83-M85 VanDerWaalsContact C-N 3.29Å; Q83-M85 PolarHBondContact O-N 2Å; M85-K89 WeakPolarHBondContact O-CB 3.2Å; M85-K89 VanDerWaalsContact O-CG 3.23Å; M85-K89 WeakPolarHBondContact O-CG 3.29Å; M85-K89 PolarHBondContact O-N 2.83Å |
| 86 | F | 73.3 | Confident | 68.5 | Low | 90 Ų | 90 | 95.3 Ų | 95.3 | 40% | 0.395 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -54.7 | 176.6 | -178.8 | -94.9 | 0 | 0 | 0 | 110 | M14 V42 K88 K89 V90 | M14-F86 HydrophobicContact CE-CE1 4.3Å; M14-F86 HydrophobicContact CE-CZ 3.88Å; V42-F86 HydrophobicContact CB-CD2 4.46Å; V42-F86 HydrophobicContact CB-CE2 3.96Å; V42-F86 HydrophobicContact CG1-CD2 3.82Å; V42-F86 HydrophobicContact CG1-CE2 3.82Å; V42-F86 HydrophobicContact CG2-CD2 4.4Å; V42-F86 HydrophobicContact CG2-CE2 3.82Å; V42-F86 HydrophobicContact CG2-CZ 4.46Å; F86-K88 VanDerWaalsContact C-N 3.32Å; F86-K88 PolarHBondContact O-N 2.76Å; F86-K89 PolarHBondContact O-N 2.83Å; F86-V90 HydrophobicContact CD1-CG2 4.12Å; F86-V90 HydrophobicContact CE1-CG2 3.65Å; F86-V90 HydrophobicContact CE2-CG2 4.18Å; F86-V90 HydrophobicContact CZ-CG2 3.67Å; F86-V90 WeakPolarHBondContact O-CB 3.33Å; F86-V90 WeakPolarHBondContact O-CG2 2.92Å; F86-V90 PolarHBondContact O-N 3.07Å |
| 87 | G | 74.1 | Confident | 69.7 | Low | 40 Ų | 40 | 85 Ų | 85 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V90 F91 | G87-V90 PolarHBondContact O-N 3.18Å; G87-F91 WeakPolarHBondContact O-CB 2.91Å; G87-F91 PolarHBondContact O-N 2.8Å |
| 88 | K | 78.2 | Confident | 71 | Confident | 141 Ų | 141 | 84 Ų | 84 | 61% | 0.613 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.3 | -41.4 | 177.4 | -173 | 173.8 | -176.4 | 175.8 | 0 | 113.2 | N84 F86 N92 | N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.88Å; F86-K88 VanDerWaalsContact C-N 3.32Å; F86-K88 PolarHBondContact O-N 2.76Å; K88-N92 VanDerWaalsContact O-CB 3.31Å; K88-N92 WeakPolarHBondContact O-CB 3.39Å; K88-N92 PolarHBondContact O-N 2.95Å; K88-N92 PolarHBondContact O-OD1 3.38Å |
| 89 | K | 79.2 | Confident | 72.3 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 50% | 0.504 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 177.5 | -77.6 | 178.8 | 180 | -174 | 0 | 111.9 | M85 F86 C93 | M85-K89 WeakPolarHBondContact O-CB 3.2Å; M85-K89 VanDerWaalsContact O-CG 3.23Å; M85-K89 WeakPolarHBondContact O-CG 3.29Å; M85-K89 PolarHBondContact O-N 2.83Å; F86-K89 PolarHBondContact O-N 2.83Å; K89-C93 WeakPolarHBondContact O-CB 3.48Å; K89-C93 PolarHBondContact O-N 2.89Å; K89-C93 VanDerWaalsContact O-N 3.13Å |
| 90 | V | 76.9 | Confident | 73.1 | Confident | 21 Ų | 21 | 86.3 Ų | 86.3 | 13% | 0.127 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61 | -53.8 | 174.2 | 156.9 | 0 | 0 | 0 | 0 | 110.5 | I19 V42 F86 G87 N92 C93 V94 | I19-V90 HydrophobicContact CD1-CB 3.76Å; I19-V90 HydrophobicContact CD1-CG1 3.06Å; I19-V90 HydrophobicContact CD1-CG2 3.4Å; I19-V90 VanDerWaalsContact CD1-CG2 3.4Å; I19-V90 HydrophobicContact CG1-CG2 4.45Å; V42-V90 HydrophobicContact CG2-CG2 4.11Å; F86-V90 HydrophobicContact CD1-CG2 4.12Å; F86-V90 HydrophobicContact CE1-CG2 3.65Å; F86-V90 HydrophobicContact CE2-CG2 4.18Å; F86-V90 HydrophobicContact CZ-CG2 3.67Å; F86-V90 WeakPolarHBondContact O-CB 3.33Å; F86-V90 WeakPolarHBondContact O-CG2 2.92Å; F86-V90 PolarHBondContact O-N 3.07Å; G87-V90 PolarHBondContact O-N 3.18Å; V90-N92 PolarHBondContact O-N 3.03Å; V90-C93 PolarHBondContact O-N 3.35Å; V90-C93 VanDerWaalsContact O-N 3.17Å; V90-V94 HydrophobicContact CG1-CG2 4.42Å; V90-V94 WeakPolarHBondContact O-CG2 3.45Å; V90-V94 PolarHBondContact O-N 3.05Å |
| 91 | F | 80.9 | Confident | 73.8 | Confident | 137 Ų | 137 | 79.9 Ų | 79.9 | 60% | 0.601 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -56.2 | -52.9 | -179.2 | -178.2 | -94.5 | 0 | 0 | 0 | 111.1 | G87 C93 V94 T95 | G87-F91 WeakPolarHBondContact O-CB 2.91Å; G87-F91 PolarHBondContact O-N 2.8Å; F91-C93 VanDerWaalsContact C-N 3.26Å; F91-C93 PolarHBondContact O-N 2.81Å; F91-V94 PolarHBondContact O-N 2.94Å; F91-T95 WeakPolarHBondContact O-CB 3.35Å; F91-T95 PolarHBondContact O-N 3.41Å; F91-T95 PolarHBondContact O-OG1 3.36Å |
| 92 | N | 84.5 | Confident | 74.5 | Confident | 82 Ų | 82 | 82.8 Ų | 82.8 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.1 | -40.7 | 178.8 | -73.5 | 1.5 | 0 | 0 | 0 | 112.6 | K88 V90 S96 | K88-N92 VanDerWaalsContact O-CB 3.31Å; K88-N92 WeakPolarHBondContact O-CB 3.39Å; K88-N92 PolarHBondContact O-N 2.95Å; K88-N92 PolarHBondContact O-OD1 3.38Å; V90-N92 PolarHBondContact O-N 3.03Å; N92-S96 WeakPolarHBondContact O-CB 3.3Å; N92-S96 PolarHBondContact O-N 3.2Å; N92-S96 PolarHBondContact O-OG 3.47Å |
| 93 | C | 85 | Confident | 75.5 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.7 | -43.9 | 179.5 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | C40 K89 V90 F91 S96 I97 | C40-C93 WeakPolarHBondContact CA-SG 3.23Å; C40-C93 HydrophobicContact CB-CB 3.68Å; C40-C93 WeakPolarHBondContact CB-SG 3.08Å; C40-C93 WeakPolarHBondContact SG-CB 3.36Å; C40-C93 CovalentContact SG-SG 2Å; C40-C93 PolarHBondContact SG-SG 2.88Å; K89-C93 WeakPolarHBondContact O-CB 3.48Å; K89-C93 PolarHBondContact O-N 2.89Å; K89-C93 VanDerWaalsContact O-N 3.13Å; V90-C93 PolarHBondContact O-N 3.35Å; V90-C93 VanDerWaalsContact O-N 3.17Å; F91-C93 VanDerWaalsContact C-N 3.26Å; F91-C93 PolarHBondContact O-N 2.81Å; C93-S96 WeakPolarHBondContact O-CB 3.33Å; C93-S96 PolarHBondContact O-N 3.33Å; C93-I97 WeakPolarHBondContact O-CG1 3.39Å; C93-I97 PolarHBondContact O-N 3.14Å; C93-I97 VanDerWaalsContact O-N 3.08Å |
| 94 | V | 79.6 | Confident | 76 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 13% | 0.127 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111 | M12 I19 V90 F91 S96 I97 L98 | M12-V94 HydrophobicContact SD-CG1 4.17Å; M12-V94 HydrophobicContact SD-CG2 3.54Å; M12-V94 VanDerWaalsContact SD-CG2 3.54Å; I19-V94 HydrophobicContact CG2-CG2 4.29Å; V90-V94 HydrophobicContact CG1-CG2 4.42Å; V90-V94 WeakPolarHBondContact O-CG2 3.45Å; V90-V94 PolarHBondContact O-N 3.05Å; F91-V94 PolarHBondContact O-N 2.94Å; V94-S96 VanDerWaalsContact C-N 3.27Å; V94-S96 PolarHBondContact O-N 3.48Å; V94-I97 PolarHBondContact O-N 2.97Å; V94-L98 HydrophobicContact CG1-CD1 4.06Å; V94-L98 HydrophobicContact CG1-CG 4.49Å; V94-L98 PolarHBondContact O-N 3.15Å |
| 95 | T | 82.7 | Confident | 75.7 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 175.4 | -56 | 0 | 0 | 0 | 0 | 111.4 | F91 I97 L98 Y99 | F91-T95 WeakPolarHBondContact O-CB 3.35Å; F91-T95 PolarHBondContact O-N 3.41Å; F91-T95 PolarHBondContact O-OG1 3.36Å; T95-I97 PolarHBondContact O-N 2.84Å; T95-L98 PolarHBondContact O-N 3.18Å; T95-Y99 WeakPolarHBondContact O-CB 3.23Å; T95-Y99 PolarHBondContact O-N 2.91Å |
| 96 | S | 83.7 | Confident | 75.2 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 51% | 0.51 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | N92 C93 V94 V100 | N92-S96 WeakPolarHBondContact O-CB 3.3Å; N92-S96 PolarHBondContact O-N 3.2Å; N92-S96 PolarHBondContact O-OG 3.47Å; C93-S96 WeakPolarHBondContact O-CB 3.33Å; C93-S96 PolarHBondContact O-N 3.33Å; V94-S96 VanDerWaalsContact C-N 3.27Å; V94-S96 PolarHBondContact O-N 3.48Å; S96-V100 WeakPolarHBondContact O-CG2 3.42Å; S96-V100 PolarHBondContact O-N 3.14Å; S96-V100 VanDerWaalsContact O-N 3.15Å |
| 97 | I | 77.8 | Confident | 73.8 | Confident | 24 Ų | 24 | 82.1 Ų | 82.1 | 12% | 0.123 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.6 | -47.3 | 178.1 | -59.4 | 156.9 | 0 | 0 | 0 | 110.2 | L21 I36 C93 V94 T95 Y99 V100 S101 | L21-I97 HydrophobicContact CB-CD1 4.3Å; L21-I97 HydrophobicContact CD2-CB 3.8Å; L21-I97 HydrophobicContact CD2-CG2 3.52Å; I36-I97 HydrophobicContact CG2-CG2 4.17Å; C93-I97 WeakPolarHBondContact O-CG1 3.39Å; C93-I97 PolarHBondContact O-N 3.14Å; C93-I97 VanDerWaalsContact O-N 3.08Å; V94-I97 PolarHBondContact O-N 2.97Å; T95-I97 PolarHBondContact O-N 2.84Å; I97-Y99 VanDerWaalsContact C-N 3.28Å; I97-Y99 PolarHBondContact O-N 3.27Å; I97-V100 PolarHBondContact O-N 3.23Å; I97-S101 PolarHBondContact O-N 2.88Å; I97-S101 PolarHBondContact O-OG 3.08Å; I97-S101 VanDerWaalsContact O-OG 3.06Å |
| 98 | L | 76.8 | Confident | 73.7 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 177.6 | -71.4 | 174.3 | 0 | 0 | 0 | 112.3 | F8 A10 L21 V94 T95 S101 L102 | F8-L98 HydrophobicContact CE1-CD2 3.95Å; F8-L98 HydrophobicContact CZ-CD2 3.94Å; A10-L98 HydrophobicContact CB-CD2 4.29Å; L21-L98 HydrophobicContact CD2-CD2 3.86Å; L21-L98 HydrophobicContact CD2-CG 3.96Å; V94-L98 HydrophobicContact CG1-CD1 4.06Å; V94-L98 HydrophobicContact CG1-CG 4.49Å; V94-L98 PolarHBondContact O-N 3.15Å; T95-L98 PolarHBondContact O-N 3.18Å; L98-S101 WeakPolarHBondContact O-CB 3.29Å; L98-S101 PolarHBondContact O-N 3.06Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 2.81Å |
| 99 | Y | 82 | Confident | 73.5 | Confident | 152 Ų | 152 | 81.3 Ų | 81.3 | 60% | 0.596 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.5 | -43.4 | 177.1 | -173.9 | -104.6 | 0 | 0 | 0 | 111.9 | T95 I97 S101 L102 I103 | T95-Y99 WeakPolarHBondContact O-CB 3.23Å; T95-Y99 PolarHBondContact O-N 2.91Å; I97-Y99 VanDerWaalsContact C-N 3.28Å; I97-Y99 PolarHBondContact O-N 3.27Å; Y99-S101 VanDerWaalsContact C-N 3.29Å; Y99-S101 PolarHBondContact O-N 2.94Å; Y99-L102 PolarHBondContact O-N 2.91Å; Y99-I103 HydrophobicContact CD1-CD1 3.77Å; Y99-I103 HydrophobicContact CE1-CD1 3.22Å; Y99-I103 HydrophobicContact CE1-CG1 4.42Å; Y99-I103 HydrophobicContact CE2-CD1 4.09Å; Y99-I103 HydrophobicContact CG-CD1 4.41Å; Y99-I103 VanDerWaalsContact CZ-CD1 3.4Å; Y99-I103 WeakPolarHBondContact O-CG1 3.5Å; Y99-I103 PolarHBondContact O-N 3.25Å; Y99-I103 VanDerWaalsContact O-N 3.1Å |
| 100 | V | 74.9 | Confident | 73.2 | Confident | 98 Ų | 98 | 79.3 Ų | 79.3 | 59% | 0.594 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 172.7 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | S96 I97 I103 G104 | S96-V100 WeakPolarHBondContact O-CG2 3.42Å; S96-V100 PolarHBondContact O-N 3.14Å; S96-V100 VanDerWaalsContact O-N 3.15Å; I97-V100 PolarHBondContact O-N 3.23Å; V100-I103 PolarHBondContact O-N 3.25Å; V100-G104 PolarHBondContact O-N 2.92Å |
| 101 | S | 69.3 | Low | 73 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | I36 I97 L98 Y99 G104 E105 | I36-S101 WeakPolarHBondContact CD1-OG 3.39Å; I36-S101 WeakPolarHBondContact CG2-OG 3.37Å; I97-S101 PolarHBondContact O-N 2.88Å; I97-S101 PolarHBondContact O-OG 3.08Å; I97-S101 VanDerWaalsContact O-OG 3.06Å; L98-S101 WeakPolarHBondContact O-CB 3.29Å; L98-S101 PolarHBondContact O-N 3.06Å; Y99-S101 VanDerWaalsContact C-N 3.29Å; Y99-S101 PolarHBondContact O-N 2.94Å; S101-G104 PolarHBondContact O-N 3.32Å; S101-E105 PolarHBondContact O-N 2.83Å |
| 102 | L | 70.2 | Confident | 72.5 | Confident | 92 Ų | 92 | 79.4 Ų | 79.4 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | -179.4 | -71.1 | 169.8 | 0 | 0 | 0 | 112.1 | L98 Y99 E105 I106 | L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 2.81Å; Y99-L102 PolarHBondContact O-N 2.91Å; L102-E105 PolarHBondContact O-N 3.13Å; L102-I106 WeakPolarHBondContact O-CG1 3.06Å |
| 103 | I | 72.9 | Confident | 71.7 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 41% | 0.405 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.5 | -37.1 | 177.6 | -67.9 | 174.5 | 0 | 0 | 0 | 111.3 | Y99 V100 E105 I106 | Y99-I103 HydrophobicContact CD1-CD1 3.77Å; Y99-I103 HydrophobicContact CE1-CD1 3.22Å; Y99-I103 HydrophobicContact CE1-CG1 4.42Å; Y99-I103 HydrophobicContact CE2-CD1 4.09Å; Y99-I103 HydrophobicContact CG-CD1 4.41Å; Y99-I103 VanDerWaalsContact CZ-CD1 3.4Å; Y99-I103 WeakPolarHBondContact O-CG1 3.5Å; Y99-I103 PolarHBondContact O-N 3.25Å; Y99-I103 VanDerWaalsContact O-N 3.1Å; V100-I103 PolarHBondContact O-N 3.25Å; I103-E105 PolarHBondContact O-N 3.3Å; I103-I106 PolarHBondContact O-N 2.99Å |
| 104 | G | 62.8 | Low | 70.7 | Confident | 49 Ų | 49 | 82.4 Ų | 82.4 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -20.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V100 S101 | V100-G104 PolarHBondContact O-N 2.92Å; S101-G104 PolarHBondContact O-N 3.32Å |
| 105 | E | 57.2 | Low | 70 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16 | 174.7 | -167.6 | 174.5 | -171.2 | 0 | 0 | 113 | H6 I25 S101 L102 I103 | H6-E105 IonicContact ND1-OE1 3.86Å; I25-E105 HydrophobicContact CD1-CB 4.27Å; I25-E105 HydrophobicContact CD1-CG 4.13Å; S101-E105 PolarHBondContact O-N 2.83Å; L102-E105 PolarHBondContact O-N 3.13Å; I103-E105 PolarHBondContact O-N 3.3Å |
| 106 | I | 56.6 | Low | 69 | Low | 145 Ų | 145 | 89 Ų | 89 | 74% | 0.744 | 47% | 0.471 | S | S | * | . | trans | -88 | -8.2 | -178.9 | -61.9 | 169.1 | 0 | 0 | 0 | 111.8 | L102 I103 | L102-I106 WeakPolarHBondContact O-CG1 3.06Å; I103-I106 PolarHBondContact O-N 2.99Å | ||
| 107 | Q | 43.8 | Very low | 67.7 | Low | 230 Ų | 230 | 90.5 Ų | 90.5 | 100% | 1.075 | 47% | 0.467 | S | S | * | . | trans | -96.6 | 0 | 171.1 | -68.6 | -167.7 | -25.7 | 0 | 0 | 111.7 |
Retrieved 107 of 107 residues in 42.6 ms
(Link to these results)