| 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 | 36.4 | Very low | 39.4 | Very low | 226 Ų | 226 | 103.8 Ų | 103.8 | 100% | 1.113 | 58% | 0.578 | S | S | * | * | 0 | 110.8 | 0 | -62.9 | -172.2 | 177.6 | 0 | 0 | 107.1 | |||||
| 2 | S | 35.4 | Very low | 39.8 | Very low | 73 Ų | 73 | 98.4 Ų | 98.4 | 51% | 0.51 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 117.2 | -177.7 | 26.8 | 0 | 0 | 0 | 0 | 109.6 | S68 | S2-S68 WeakPolarHBondContact O-CB 3.39Å; S2-S68 PolarHBondContact O-OG 2.84Å |
| 3 | N | 36.5 | Very low | 39.9 | Very low | 119 Ų | 119 | 94.7 Ų | 94.7 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 132.4 | 172.1 | -66 | -43.4 | 0 | 0 | 0 | 108.5 | ||
| 4 | F | 40.1 | Very low | 39.6 | Very low | 84 Ų | 84 | 93.1 Ų | 93.1 | 37% | 0.368 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130 | 171.5 | -76.7 | -94.6 | 0 | 0 | 0 | 109.7 | F6 Y73 | F4-F6 HydrophobicContact CB-CE2 4.12Å; F4-Y73 WeakPolarHBondContact CB-OH 3.49Å; F4-Y73 HydrophobicContact CD1-CE1 4.49Å; F4-Y73 HydrophobicContact CD1-CE2 4.42Å; F4-Y73 AromaticContact CD1-CZ 3.83Å; F4-Y73 WeakPolarHBondContact CD1-OH 2.81Å; F4-Y73 AromaticContact CD2-CE2 3.61Å; F4-Y73 HydrophobicContact CD2-CE2 3.61Å; F4-Y73 AromaticContact CD2-CZ 3.6Å; F4-Y73 WeakPolarHBondContact CD2-OH 3.34Å; F4-Y73 HydrophobicContact CE1-CE2 4.19Å; F4-Y73 AromaticContact CE1-CZ 3.95Å; F4-Y73 HydrophobicContact CE2-CD2 4.33Å; F4-Y73 AromaticContact CE2-CE2 3.32Å; F4-Y73 HydrophobicContact CE2-CE2 3.32Å; F4-Y73 AromaticContact CE2-CZ 3.72Å; F4-Y73 HydrophobicContact CG-CE2 4.14Å; F4-Y73 AromaticContact CG-CZ 3.65Å; F4-Y73 WeakPolarHBondContact CG-OH 2.99Å; F4-Y73 HydrophobicContact CZ-CD2 4.4Å; F4-Y73 AromaticContact CZ-CE2 3.64Å; F4-Y73 HydrophobicContact CZ-CE2 3.64Å; F4-Y73 AromaticContact CZ-CZ 3.88Å |
| 5 | L | 42 | Very low | 39.6 | Very low | 109 Ų | 109 | 90.5 Ų | 90.5 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 107.9 | -173.8 | -139.7 | 70.2 | 0 | 0 | 0 | 107.8 | T63 | L5-T63 VanDerWaalsContact CD1-OG1 3.28Å; L5-T63 WeakPolarHBondContact CD1-OG1 3.37Å; L5-T63 HydrophobicContact CD2-CG2 3.9Å; L5-T63 HydrophobicContact CG-CG2 3.93Å; L5-T63 VanDerWaalsContact CG-OG1 3.26Å; L5-T63 WeakPolarHBondContact CG-OG1 3.46Å |
| 6 | F | 45 | Very low | 39.9 | Very low | 81 Ų | 81 | 85.8 Ų | 85.8 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.9 | 177.5 | -66 | -83.9 | 0 | 0 | 0 | 109.5 | F4 C8 L66 Y73 | F4-F6 HydrophobicContact CB-CE2 4.12Å; F6-C8 PolarHBondContact O-N 3.2Å; F6-C8 VanDerWaalsContact O-N 3.11Å; F6-L66 HydrophobicContact CD2-CD1 4.29Å; F6-L66 HydrophobicContact CE2-CD1 3.8Å; F6-L66 HydrophobicContact CE2-CG 4.49Å; F6-Y73 HydrophobicContact CZ-CE1 4.29Å |
| 7 | P | 37.8 | Very low | 40 | Very low | 121 Ų | 121 | 85.8 Ų | 85.8 | 79% | 0.786 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 104.4 | 169.4 | 28.1 | -30.8 | 0 | 0 | 0 | 108.2 | N9 | P7-N9 PolarHBondContact O-N 3.31Å |
| 8 | C | 42 | Very low | 39.5 | Very low | 31 Ų | 31 | 85.6 Ų | 85.6 | 21% | 0.209 | 49% | 0.493 | C | S | . | . | trans | -82.6 | 117.5 | 179.4 | -80.7 | 0 | 0 | 0 | 0 | 109.4 | F6 F12 F13 | F6-C8 PolarHBondContact O-N 3.2Å; F6-C8 VanDerWaalsContact O-N 3.11Å; C8-F12 HydrophobicContact CB-CD1 3.74Å; C8-F12 HydrophobicContact CB-CE1 4.38Å; C8-F12 VanDerWaalsContact SG-CD1 3.58Å; C8-F13 HydrophobicContact CB-CD2 3.85Å; C8-F13 HydrophobicContact CB-CE2 3.23Å; C8-F13 HydrophobicContact CB-CZ 3.85Å; C8-F13 WeakPolarHBondContact O-CD2 3.28Å; C8-F13 WeakPolarHBondContact O-CE2 3.26Å | ||
| 9 | N | 38.9 | Very low | 39.4 | Very low | 114 Ų | 114 | 86.4 Ų | 86.4 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | trans | -56.6 | 139 | 175.2 | -173.5 | -27.3 | 0 | 0 | 0 | 110.3 | P7 T11 F12 F13 | P7-N9 PolarHBondContact O-N 3.31Å; N9-T11 PolarHBondContact O-N 2.71Å; N9-F12 WeakPolarHBondContact O-CA 3.42Å; N9-F12 WeakPolarHBondContact O-CB 3.38Å; N9-F12 PolarHBondContact O-N 3.17Å; N9-F13 PolarHBondContact O-N 3.14Å | ||
| 10 | S | 39.9 | Very low | 39.2 | Very low | 82 Ų | 82 | 85 Ų | 85 | 57% | 0.573 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -50.9 | -30.6 | -173.6 | 60.6 | 0 | 0 | 0 | 0 | 114.4 | F12 F13 S14 | S10-F12 VanDerWaalsContact C-N 3.31Å; S10-F12 PolarHBondContact O-N 2.91Å; S10-F13 WeakPolarHBondContact O-CB 3.07Å; S10-F13 PolarHBondContact O-N 3.09Å; S10-S14 PolarHBondContact O-N 2.66Å; S10-S14 PolarHBondContact O-OG 3.32Å |
| 11 | T | 39.8 | Very low | 38.8 | Very low | 102 Ų | 102 | 84.7 Ų | 84.7 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -35.3 | 176.4 | -34.2 | 0 | 0 | 0 | 0 | 112.5 | N9 F13 A15 | N9-T11 PolarHBondContact O-N 2.71Å; T11-F13 VanDerWaalsContact C-N 3.34Å; T11-A15 PolarHBondContact O-N 3.34Å |
| 12 | F | 44.2 | Very low | 38.6 | Very low | 39 Ų | 39 | 84.1 Ų | 84.1 | 17% | 0.171 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174 | 179.1 | -106.9 | 0 | 0 | 0 | 111 | C8 N9 S10 A15 L16 F40 L44 I64 | C8-F12 HydrophobicContact CB-CD1 3.74Å; C8-F12 HydrophobicContact CB-CE1 4.38Å; C8-F12 VanDerWaalsContact SG-CD1 3.58Å; N9-F12 WeakPolarHBondContact O-CA 3.42Å; N9-F12 WeakPolarHBondContact O-CB 3.38Å; N9-F12 PolarHBondContact O-N 3.17Å; S10-F12 VanDerWaalsContact C-N 3.31Å; S10-F12 PolarHBondContact O-N 2.91Å; F12-A15 PolarHBondContact O-N 2.99Å; F12-L16 WeakPolarHBondContact O-CB 3.43Å; F12-L16 PolarHBondContact O-N 3.13Å; F12-F40 HydrophobicContact CE2-CD1 4.38Å; F12-F40 AromaticContact CE2-CE1 3.63Å; F12-F40 HydrophobicContact CE2-CE1 3.63Å; F12-F40 HydrophobicContact CE2-CZ 4.43Å; F12-F40 HydrophobicContact CZ-CD1 4.43Å; F12-F40 HydrophobicContact CZ-CE1 4.04Å; F12-L44 HydrophobicContact CD2-CD1 4.21Å; F12-L44 HydrophobicContact CD2-CD2 3.4Å; F12-L44 VanDerWaalsContact CD2-CD2 3.4Å; F12-L44 HydrophobicContact CD2-CG 4.34Å; F12-L44 HydrophobicContact CE2-CB 4.46Å; F12-L44 HydrophobicContact CE2-CD1 3.46Å; F12-L44 VanDerWaalsContact CE2-CD1 3.46Å; F12-L44 HydrophobicContact CE2-CD2 3.01Å; F12-L44 HydrophobicContact CE2-CG 3.69Å; F12-L44 HydrophobicContact CZ-CD1 4.4Å; F12-L44 HydrophobicContact CZ-CD2 3.82Å; F12-I64 HydrophobicContact CE1-CD1 4.1Å |
| 13 | F | 41.1 | Very low | 38.4 | Very low | 50 Ų | 50 | 87 Ų | 87 | 22% | 0.219 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 175 | -89.5 | -74.4 | 0 | 0 | 0 | 113.1 | C8 N9 S10 T11 A15 L16 V17 G62 | C8-F13 HydrophobicContact CB-CD2 3.85Å; C8-F13 HydrophobicContact CB-CE2 3.23Å; C8-F13 HydrophobicContact CB-CZ 3.85Å; C8-F13 WeakPolarHBondContact O-CD2 3.28Å; C8-F13 WeakPolarHBondContact O-CE2 3.26Å; N9-F13 PolarHBondContact O-N 3.14Å; S10-F13 WeakPolarHBondContact O-CB 3.07Å; S10-F13 PolarHBondContact O-N 3.09Å; T11-F13 VanDerWaalsContact C-N 3.34Å; F13-A15 VanDerWaalsContact C-N 3.29Å; F13-A15 PolarHBondContact O-N 3.44Å; F13-L16 WeakPolarHBondContact O-CB 3.45Å; F13-L16 PolarHBondContact O-N 3.01Å; F13-L16 VanDerWaalsContact O-N 3.11Å; F13-V17 WeakPolarHBondContact O-CG2 3.37Å; F13-V17 PolarHBondContact O-N 2.71Å; F13-G62 WeakPolarHBondContact CE2-O 3.4Å; F13-G62 WeakPolarHBondContact CZ-O 3.39Å |
| 14 | S | 35.6 | Very low | 38 | Very low | 73 Ų | 73 | 84.9 Ų | 84.9 | 51% | 0.51 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | -179.7 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | S10 S18 | S10-S14 PolarHBondContact O-N 2.66Å; S10-S14 PolarHBondContact O-OG 3.32Å; S14-S18 WeakPolarHBondContact O-CB 3.1Å; S14-S18 PolarHBondContact O-N 2.99Å; S14-S18 PolarHBondContact O-OG 3.43Å |
| 15 | A | 39.8 | Very low | 37.3 | Very low | 53 Ų | 53 | 84.6 Ų | 84.6 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T11 F12 F13 N19 | T11-A15 PolarHBondContact O-N 3.34Å; F12-A15 PolarHBondContact O-N 2.99Å; F13-A15 VanDerWaalsContact C-N 3.29Å; F13-A15 PolarHBondContact O-N 3.44Å; A15-N19 WeakPolarHBondContact O-CB 3.12Å; A15-N19 PolarHBondContact O-N 3.3Å |
| 16 | L | 44.5 | Very low | 36.5 | Very low | 15 Ų | 15 | 83.2 Ų | 83.2 | 8% | 0.079 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -64.1 | -50.1 | 177.9 | -170 | 72.4 | 0 | 0 | 0 | 111.9 | F12 F13 N19 I36 F40 F58 | F12-L16 WeakPolarHBondContact O-CB 3.43Å; F12-L16 PolarHBondContact O-N 3.13Å; F13-L16 WeakPolarHBondContact O-CB 3.45Å; F13-L16 PolarHBondContact O-N 3.01Å; F13-L16 VanDerWaalsContact O-N 3.11Å; L16-N19 PolarHBondContact O-N 2.93Å; L16-I36 HydrophobicContact CD1-CG2 3.55Å; L16-I36 HydrophobicContact CG-CG2 4.36Å; L16-F40 HydrophobicContact CD1-CD1 3.72Å; L16-F40 HydrophobicContact CD1-CE1 3.88Å; L16-F58 HydrophobicContact CD2-CD1 4.5Å; L16-F58 HydrophobicContact CD2-CE1 3.58Å; L16-F58 HydrophobicContact CD2-CZ 4.01Å |
| 17 | V | 40.4 | Very low | 35.7 | Very low | 86 Ų | 86 | 83.7 Ų | 83.7 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69 | -41.5 | -180 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | F13 N19 S20 S21 | F13-V17 WeakPolarHBondContact O-CG2 3.37Å; F13-V17 PolarHBondContact O-N 2.71Å; V17-N19 PolarHBondContact O-N 2.64Å; V17-S20 WeakPolarHBondContact O-CB 3.33Å; V17-S20 PolarHBondContact O-N 3.08Å; V17-S20 PolarHBondContact O-OG 3.11Å; V17-S21 PolarHBondContact O-OG 3.23Å |
| 18 | S | 32.1 | Very low | 35.1 | Very low | 83 Ų | 83 | 81 Ų | 81 | 58% | 0.58 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.7 | -28 | -179.6 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | S14 S20 | S14-S18 WeakPolarHBondContact O-CB 3.1Å; S14-S18 PolarHBondContact O-N 2.99Å; S14-S18 PolarHBondContact O-OG 3.43Å; S18-S20 VanDerWaalsContact C-N 3.3Å |
| 19 | N | 37.5 | Very low | 34.5 | Very low | 101 Ų | 101 | 83.9 Ų | 83.9 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -79.9 | -13.9 | 176.8 | -149.8 | 10.9 | 0 | 0 | 0 | 113 | A15 L16 V17 | A15-N19 WeakPolarHBondContact O-CB 3.12Å; A15-N19 PolarHBondContact O-N 3.3Å; L16-N19 PolarHBondContact O-N 2.93Å; V17-N19 PolarHBondContact O-N 2.64Å |
| 20 | S | 34.9 | Very low | 34 | Very low | 57 Ų | 57 | 81.3 Ų | 81.3 | 40% | 0.399 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -81.8 | -15.8 | 175.7 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | V17 S18 R22 | V17-S20 WeakPolarHBondContact O-CB 3.33Å; V17-S20 PolarHBondContact O-N 3.08Å; V17-S20 PolarHBondContact O-OG 3.11Å; S18-S20 VanDerWaalsContact C-N 3.3Å; S20-R22 PolarHBondContact O-N 3.49Å |
| 21 | S | 30.9 | Very low | 33.6 | Very low | 79 Ų | 79 | 82.8 Ų | 82.8 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | trans | -92.6 | 20.2 | -173.5 | -28.4 | 0 | 0 | 0 | 0 | 114.7 | V17 P23 | V17-S21 PolarHBondContact O-OG 3.23Å; S21-P23 WeakPolarHBondContact O-CD 3.3Å | ||
| 22 | R | 32.5 | Very low | 33.3 | Very low | 214 Ų | 214 | 82.1 Ų | 82.1 | 81% | 0.808 | 59% | 0.59 | S | S | * | * | trans | -76.9 | 103.9 | 169.5 | -78.4 | -170.8 | -179.2 | -176.6 | 1 | 108.7 | S20 G24 | S20-R22 PolarHBondContact O-N 3.49Å; R22-G24 VanDerWaalsContact C-N 3.33Å; R22-G24 PolarHBondContact O-N 2.74Å | ||
| 23 | P | 32.2 | Very low | 32.9 | Very low | 135 Ų | 135 | 89.1 Ų | 89.1 | 88% | 0.877 | 62% | 0.62 | S | S | * | * | trans | -87.8 | 81.6 | -177.5 | 23.8 | -4.4 | 0 | 0 | 0 | 107 | S21 | S21-P23 WeakPolarHBondContact O-CD 3.3Š| ||
| 24 | G | 27.1 | Very low | 32.6 | Very low | 73 Ų | 73 | 89.9 Ų | 89.9 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | trans | -115.7 | 85.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R22 | R22-G24 VanDerWaalsContact C-N 3.33Å; R22-G24 PolarHBondContact O-N 2.74Å | ||
| 25 | G | 25.7 | Very low | 32.8 | Very low | 79 Ų | 79 | 92 Ų | 92 | 81% | 0.814 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 68.1 | 113.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 26 | G | 25.6 | Very low | 33.1 | Very low | 79 Ų | 79 | 91.8 Ų | 91.8 | 81% | 0.814 | 63% | 0.633 | S | S | * | * | trans | 93 | 101.7 | 142.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 27 | G | 26.7 | Very low | 33.1 | Very low | 91 Ų | 91 | 91.7 Ų | 91.7 | 94% | 0.938 | 63% | 0.633 | S | S | * | * | trans | 47 | 88.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 28 | G | 26.5 | Very low | 33.3 | Very low | 64 Ų | 64 | 90 Ų | 90 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | trans | 167.1 | 54.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G30 | G28-G30 PolarHBondContact O-N 2.8Š| ||
| 29 | G | 28 | Very low | 33.8 | Very low | 92 Ų | 92 | 89.1 Ų | 89.1 | 95% | 0.948 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 31.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 30 | G | 29.2 | Very low | 34.1 | Very low | 60 Ų | 60 | 87.2 Ų | 87.2 | 62% | 0.619 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -40 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G28 | G28-G30 PolarHBondContact O-N 2.8Š|
| 31 | N | 32.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 84.8 Ų | 84.8 | 60% | 0.604 | 59% | 0.592 | S | S | * | * | trans | -144.7 | 29.1 | -158.1 | -77.3 | -44.7 | 0 | 0 | 0 | 115.6 | K33 S34 T35 | N31-K33 PolarHBondContact O-N 3.46Å; N31-S34 PolarHBondContact O-N 3.47Å; N31-T35 PolarHBondContact O-N 3.42Å; N31-T35 PolarHBondContact O-OG1 3.44Å | ||
| 32 | V | 33 | Very low | 35.3 | Very low | 89 Ų | 89 | 82.8 Ų | 82.8 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.1 | -29.1 | 172.8 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | S34 I36 | V32-S34 VanDerWaalsContact C-N 3.25Å; V32-S34 PolarHBondContact O-N 2.63Å; V32-I36 WeakPolarHBondContact O-CG1 2.94Å |
| 33 | K | 35.3 | Very low | 35.6 | Very low | 185 Ų | 185 | 80.9 Ų | 80.9 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.3 | -29.6 | 171.3 | -73.4 | -172 | 179.6 | -170.4 | 0 | 113.1 | N31 | N31-K33 PolarHBondContact O-N 3.46Å |
| 34 | S | 35.5 | Very low | 36.1 | Very low | 66 Ų | 66 | 78.6 Ų | 78.6 | 46% | 0.462 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -89.7 | -34.9 | -176.6 | -171.2 | 0 | 0 | 0 | 0 | 112.4 | N31 V32 I36 S37 | N31-S34 PolarHBondContact O-N 3.47Å; V32-S34 VanDerWaalsContact C-N 3.25Å; V32-S34 PolarHBondContact O-N 2.63Å; S34-I36 VanDerWaalsContact C-N 3.32Å; S34-I36 PolarHBondContact O-N 2.79Å; S34-S37 WeakPolarHBondContact O-CB 3.05Å; S34-S37 PolarHBondContact O-N 3.29Å; S34-S37 PolarHBondContact O-OG 2.92Å |
| 35 | T | 38.2 | Very low | 36.9 | Very low | 118 Ų | 118 | 79.6 Ų | 79.6 | 72% | 0.724 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -77 | -14.5 | -174.3 | -49.6 | 0 | 0 | 0 | 0 | 114.4 | N31 S37 | N31-T35 PolarHBondContact O-N 3.42Å; N31-T35 PolarHBondContact O-OG1 3.44Å; T35-S37 PolarHBondContact O-N 2.66Å |
| 36 | I | 46.8 | Very low | 37.4 | Very low | 49 Ų | 49 | 78.9 Ų | 78.9 | 25% | 0.251 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.7 | 168.7 | -61.4 | 167.6 | 0 | 0 | 0 | 110.5 | L16 V32 S34 | L16-I36 HydrophobicContact CD1-CG2 3.55Å; L16-I36 HydrophobicContact CG-CG2 4.36Å; V32-I36 WeakPolarHBondContact O-CG1 2.94Å; S34-I36 VanDerWaalsContact C-N 3.32Å; S34-I36 PolarHBondContact O-N 2.79Å |
| 37 | S | 45.7 | Very low | 37.7 | Very low | 13 Ų | 13 | 77.6 Ų | 77.6 | 9% | 0.091 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 143.6 | -177.8 | -48.4 | 0 | 0 | 0 | 0 | 112.1 | S34 T35 A39 | S34-S37 WeakPolarHBondContact O-CB 3.05Å; S34-S37 PolarHBondContact O-N 3.29Å; S34-S37 PolarHBondContact O-OG 2.92Å; T35-S37 PolarHBondContact O-N 2.66Å; S37-A39 PolarHBondContact O-N 3.44Å |
| 38 | S | 43.1 | Very low | 38 | Very low | 51 Ų | 51 | 77.7 Ų | 77.7 | 36% | 0.357 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -62.9 | 179.6 | 84.9 | 0 | 0 | 0 | 0 | 116.4 | S42 R53 | S38-S42 WeakPolarHBondContact O-CA 3.45Å; S38-S42 WeakPolarHBondContact O-CB 3.39Å; S38-S42 PolarHBondContact O-N 3.19Å; S38-S42 PolarHBondContact O-OG 3.39Å; S38-R53 VanDerWaalsContact CA-O 3.3Å; S38-R53 WeakPolarHBondContact CA-O 3.47Å; S38-R53 WeakPolarHBondContact CB-O 3.35Å; S38-R53 PolarHBondContact N-O 2.98Å |
| 39 | A | 42.3 | Very low | 38.3 | Very low | 63 Ų | 63 | 77.2 Ų | 77.2 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.8 | -45 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S37 K43 | S37-A39 PolarHBondContact O-N 3.44Å; A39-K43 PolarHBondContact O-N 2.84Å |
| 40 | F | 45.4 | Very low | 38.5 | Very low | 61 Ų | 61 | 77.4 Ų | 77.4 | 27% | 0.268 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73 | -42.2 | -179.2 | -172.6 | -111.9 | 0 | 0 | 0 | 111.5 | F12 L16 S42 K43 L44 | F12-F40 HydrophobicContact CE2-CD1 4.38Å; F12-F40 AromaticContact CE2-CE1 3.63Å; F12-F40 HydrophobicContact CE2-CE1 3.63Å; F12-F40 HydrophobicContact CE2-CZ 4.43Å; F12-F40 HydrophobicContact CZ-CD1 4.43Å; F12-F40 HydrophobicContact CZ-CE1 4.04Å; L16-F40 HydrophobicContact CD1-CD1 3.72Å; L16-F40 HydrophobicContact CD1-CE1 3.88Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.18Å; F40-K43 PolarHBondContact O-N 3.16Å; F40-K43 VanDerWaalsContact O-N 3.16Å; F40-L44 HydrophobicContact CD1-CD1 3.93Å; F40-L44 HydrophobicContact CD2-CD1 4.4Å; F40-L44 HydrophobicContact CE1-CD1 3.38Å; F40-L44 HydrophobicContact CE2-CD1 3.89Å; F40-L44 HydrophobicContact CG-CD1 4.42Å; F40-L44 HydrophobicContact CZ-CD1 3.34Å; F40-L44 WeakPolarHBondContact O-CB 3.45Å; F40-L44 PolarHBondContact O-N 2.75Å |
| 41 | I | 46.2 | Very low | 38.7 | Very low | 7 Ų | 7 | 76.8 Ų | 76.8 | 4% | 0.036 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 175.3 | -65.6 | 175.9 | 0 | 0 | 0 | 111 | K43 L44 L45 V55 | I41-K43 VanDerWaalsContact C-N 3.26Å; I41-K43 PolarHBondContact O-N 3.09Å; I41-L44 PolarHBondContact O-N 2.75Å; I41-L45 HydrophobicContact CB-CD1 4.5Å; I41-L45 HydrophobicContact CG2-CD1 3.36Å; I41-L45 WeakPolarHBondContact O-CD1 3.21Å; I41-L45 PolarHBondContact O-N 3.2Å; I41-V55 HydrophobicContact CD1-CB 4.42Å; I41-V55 HydrophobicContact CD1-CG2 3.11Å; I41-V55 HydrophobicContact CG1-CG2 4.47Å |
| 42 | S | 43 | Very low | 38.6 | Very low | 36 Ų | 36 | 74.4 Ų | 74.4 | 25% | 0.252 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -34.1 | 175.1 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | S38 F40 R53 | S38-S42 WeakPolarHBondContact O-CA 3.45Å; S38-S42 WeakPolarHBondContact O-CB 3.39Å; S38-S42 PolarHBondContact O-N 3.19Å; S38-S42 PolarHBondContact O-OG 3.39Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3.18Å; S42-R53 VanDerWaalsContact CA-NH2 3.3Å; S42-R53 PolarHBondContact O-NH2 2.77Å |
| 43 | K | 39.2 | Very low | 38.9 | Very low | 174 Ų | 174 | 72.9 Ų | 72.9 | 76% | 0.757 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -75.6 | -36.6 | 172.4 | -72.2 | -179.9 | 177.6 | 175.5 | 0 | 112.3 | A39 F40 I41 G46 | A39-K43 PolarHBondContact O-N 2.84Å; F40-K43 PolarHBondContact O-N 3.16Å; F40-K43 VanDerWaalsContact O-N 3.16Å; I41-K43 VanDerWaalsContact C-N 3.26Å; I41-K43 PolarHBondContact O-N 3.09Å; K43-G46 PolarHBondContact O-N 2.83Å |
| 44 | L | 43.4 | Very low | 39.1 | Very low | 88 Ų | 88 | 69.3 Ų | 69.3 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78.2 | -35.8 | -173.7 | -128.3 | 107.3 | 0 | 0 | 0 | 114.7 | F12 F40 I41 G46 | F12-L44 HydrophobicContact CD2-CD1 4.21Å; F12-L44 HydrophobicContact CD2-CD2 3.4Å; F12-L44 VanDerWaalsContact CD2-CD2 3.4Å; F12-L44 HydrophobicContact CD2-CG 4.34Å; F12-L44 HydrophobicContact CE2-CB 4.46Å; F12-L44 HydrophobicContact CE2-CD1 3.46Å; F12-L44 VanDerWaalsContact CE2-CD1 3.46Å; F12-L44 HydrophobicContact CE2-CD2 3.01Å; F12-L44 HydrophobicContact CE2-CG 3.69Å; F12-L44 HydrophobicContact CZ-CD1 4.4Å; F12-L44 HydrophobicContact CZ-CD2 3.82Å; F40-L44 HydrophobicContact CD1-CD1 3.93Å; F40-L44 HydrophobicContact CD2-CD1 4.4Å; F40-L44 HydrophobicContact CE1-CD1 3.38Å; F40-L44 HydrophobicContact CE2-CD1 3.89Å; F40-L44 HydrophobicContact CG-CD1 4.42Å; F40-L44 HydrophobicContact CZ-CD1 3.34Å; F40-L44 WeakPolarHBondContact O-CB 3.45Å; F40-L44 PolarHBondContact O-N 2.75Å; I41-L44 PolarHBondContact O-N 2.75Å; L44-G46 PolarHBondContact O-N 3.47Å; L44-G46 VanDerWaalsContact O-N 3.09Å |
| 45 | L | 43.7 | Very low | 39.4 | Very low | 93 Ų | 93 | 66.6 Ų | 66.6 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 23.7 | 166.9 | -80 | 101.2 | 0 | 0 | 0 | 111.8 | I41 G47 | I41-L45 HydrophobicContact CB-CD1 4.5Å; I41-L45 HydrophobicContact CG2-CD1 3.36Å; I41-L45 WeakPolarHBondContact O-CD1 3.21Å; I41-L45 PolarHBondContact O-N 3.2Å; L45-G47 PolarHBondContact O-N 3.44Å |
| 46 | G | 35.2 | Very low | 39.4 | Very low | 64 Ų | 64 | 64.3 Ų | 64.3 | 66% | 0.66 | 46% | 0.46 | S | S | * | . | trans | 35.8 | 84 | 154 | 0 | 0 | 0 | 0 | 0 | 115.3 | K43 L44 | K43-G46 PolarHBondContact O-N 2.83Å; L44-G46 PolarHBondContact O-N 3.47Å; L44-G46 VanDerWaalsContact O-N 3.09Å | ||
| 47 | G | 33.6 | Very low | 39.2 | Very low | 52 Ų | 52 | 64.8 Ų | 64.8 | 54% | 0.536 | 47% | 0.468 | S | S | . | . | S | Bend | trans | 153.9 | 121.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L45 G49 | L45-G47 PolarHBondContact O-N 3.44Å; G47-G49 PolarHBondContact O-N 2.84Å |
| 48 | G | 31.9 | Very low | 39.2 | Very low | 93 Ų | 93 | 67.5 Ų | 67.5 | 96% | 0.959 | 48% | 0.478 | S | S | * | . | trans | -53.1 | 134.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 49 | G | 32.6 | Very low | 39.1 | Very low | 54 Ų | 54 | 67.3 Ų | 67.3 | 56% | 0.557 | 48% | 0.475 | S | S | * | . | trans | 168.4 | 96.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | G47 G51 | G47-G49 PolarHBondContact O-N 2.84Å; G49-G51 PolarHBondContact O-N 2.71Å | ||
| 50 | G | 33.3 | Very low | 39 | Very low | 96 Ų | 96 | 72.2 Ų | 72.2 | 99% | 0.99 | 49% | 0.492 | S | S | * | . | trans | -68.6 | 49.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 51 | G | 31.8 | Very low | 38.7 | Very low | 47 Ų | 47 | 76.3 Ų | 76.3 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | trans | -94.3 | 116.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G49 R53 | G49-G51 PolarHBondContact O-N 2.71Å; G51-R53 VanDerWaalsContact C-N 3.31Å; G51-R53 PolarHBondContact O-N 2.99Å | ||
| 52 | G | 30.8 | Very low | 38.3 | Very low | 63 Ų | 63 | 76.7 Ų | 76.7 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | trans | -55.3 | 84.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N54 | G52-N54 PolarHBondContact O-N 3.34Š| ||
| 53 | R | 39.3 | Very low | 38.2 | Very low | 57 Ų | 57 | 76 Ų | 76 | 22% | 0.215 | 52% | 0.517 | C | S | . | . | trans | -68.9 | 94.7 | 172.9 | -74.1 | 178.6 | -87.9 | -162.2 | -10.4 | 108.8 | S38 S42 G51 | S38-R53 VanDerWaalsContact CA-O 3.3Å; S38-R53 WeakPolarHBondContact CA-O 3.47Å; S38-R53 WeakPolarHBondContact CB-O 3.35Å; S38-R53 PolarHBondContact N-O 2.98Å; S42-R53 VanDerWaalsContact CA-NH2 3.3Å; S42-R53 PolarHBondContact O-NH2 2.77Å; G51-R53 VanDerWaalsContact C-N 3.31Å; G51-R53 PolarHBondContact O-N 2.99Å | ||
| 54 | N | 39.4 | Very low | 38.5 | Very low | 111 Ų | 111 | 68.1 Ų | 68.1 | 59% | 0.594 | 48% | 0.483 | S | S | * | . | trans | -81.5 | 119.2 | 175.4 | -164.9 | -29.3 | 0 | 0 | 0 | 109.3 | G52 S56 | G52-N54 PolarHBondContact O-N 3.34Å; N54-S56 PolarHBondContact O-N 3.07Å | ||
| 55 | V | 42.1 | Very low | 38.3 | Very low | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.055 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 110.9 | 173.8 | -173.9 | 0 | 0 | 0 | 0 | 106.9 | I41 F58 I64 L66 | I41-V55 HydrophobicContact CD1-CB 4.42Å; I41-V55 HydrophobicContact CD1-CG2 3.11Å; I41-V55 HydrophobicContact CG1-CG2 4.47Å; V55-F58 HydrophobicContact CG1-CD2 4.17Å; V55-F58 HydrophobicContact CG1-CE2 3.81Å; V55-F58 HydrophobicContact CG1-CZ 4.37Å; V55-I64 HydrophobicContact CG1-CG2 3.59Å; V55-L66 HydrophobicContact CG1-CD2 4.42Å; V55-L66 HydrophobicContact CG2-CD2 4.27Å |
| 56 | S | 39.3 | Very low | 38.4 | Very low | 70 Ų | 70 | 60.6 Ų | 60.6 | 49% | 0.49 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -29.6 | -177.3 | 40.9 | 0 | 0 | 0 | 0 | 112.8 | N54 G65 S67 | N54-S56 PolarHBondContact O-N 3.07Å; S56-G65 PolarHBondContact OG-O 3.26Å; S56-G65 VanDerWaalsContact OG-O 3.13Å; S56-S67 PolarHBondContact OG-N 2.77Å |
| 57 | S | 41.1 | Very low | 38.7 | Very low | 58 Ų | 58 | 59.7 Ų | 59.7 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 137.4 | -176.5 | 54 | 0 | 0 | 0 | 0 | 113.5 | G65 | S57-G65 PolarHBondContact O-N 3.28Å |
| 58 | F | 45.9 | Very low | 38.9 | Very low | 70 Ų | 70 | 59 Ų | 59 | 31% | 0.307 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.8 | 160.1 | -77.8 | -91.7 | 0 | 0 | 0 | 108.2 | L16 V55 I64 | L16-F58 HydrophobicContact CD2-CD1 4.5Å; L16-F58 HydrophobicContact CD2-CE1 3.58Å; L16-F58 HydrophobicContact CD2-CZ 4.01Å; V55-F58 HydrophobicContact CG1-CD2 4.17Å; V55-F58 HydrophobicContact CG1-CE2 3.81Å; V55-F58 HydrophobicContact CG1-CZ 4.37Å; F58-I64 HydrophobicContact CD1-CD1 4.31Å; F58-I64 HydrophobicContact CD1-CG1 3.84Å; F58-I64 HydrophobicContact CE1-CD1 3.53Å; F58-I64 HydrophobicContact CE1-CG1 3.58Å; F58-I64 HydrophobicContact CZ-CD1 4.08Å; F58-I64 HydrophobicContact CZ-CG1 4.37Å |
| 59 | T | 40.8 | Very low | 39.2 | Very low | 47 Ų | 47 | 60 Ų | 60 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | trans | -90.4 | 148.4 | 169.2 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | D61 G62 T63 | T59-D61 PolarHBondContact O-N 3.21Å; T59-G62 PolarHBondContact O-N 3.18Å; T59-T63 PolarHBondContact N-O 3.34Å; T59-T63 WeakPolarHBondContact OG1-CA 3.48Å; T59-T63 WeakPolarHBondContact OG1-CB 3.45Å; T59-T63 PolarHBondContact OG1-N 3.19Å; T59-T63 VanDerWaalsContact OG1-N 3.08Å; T59-T63 PolarHBondContact OG1-O 3.35Å; T59-T63 PolarHBondContact OG1-OG1 2.97Å | ||
| 60 | D | 40.2 | Very low | 39.4 | Very low | 166 Ų | 166 | 60.8 Ų | 60.8 | 89% | 0.888 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.7 | 177.6 | -61.7 | -73.3 | 0 | 0 | 0 | 112.3 | G62 | D60-G62 PolarHBondContact O-N 3.03Š|
| 61 | D | 40.4 | Very low | 39.4 | Very low | 147 Ų | 147 | 58 Ų | 58 | 79% | 0.786 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 6.4 | 175.8 | -55.6 | -55 | 0 | 0 | 0 | 113.8 | T59 T63 | T59-D61 PolarHBondContact O-N 3.21Å; D61-T63 VanDerWaalsContact C-N 3.34Å |
| 62 | G | 37.6 | Very low | 39.2 | Very low | 15 Ų | 15 | 61.3 Ų | 61.3 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 76.1 | 24.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F13 T59 D60 | F13-G62 WeakPolarHBondContact CE2-O 3.4Å; F13-G62 WeakPolarHBondContact CZ-O 3.39Å; T59-G62 PolarHBondContact O-N 3.18Å; D60-G62 PolarHBondContact O-N 3.03Å |
| 63 | T | 41 | Very low | 39.2 | Very low | 21 Ų | 21 | 62.9 Ų | 62.9 | 13% | 0.129 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.1 | 174.4 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | L5 T59 D61 | L5-T63 VanDerWaalsContact CD1-OG1 3.28Å; L5-T63 WeakPolarHBondContact CD1-OG1 3.37Å; L5-T63 HydrophobicContact CD2-CG2 3.9Å; L5-T63 HydrophobicContact CG-CG2 3.93Å; L5-T63 VanDerWaalsContact CG-OG1 3.26Å; L5-T63 WeakPolarHBondContact CG-OG1 3.46Å; T59-T63 PolarHBondContact N-O 3.34Å; T59-T63 WeakPolarHBondContact OG1-CA 3.48Å; T59-T63 WeakPolarHBondContact OG1-CB 3.45Å; T59-T63 PolarHBondContact OG1-N 3.19Å; T59-T63 VanDerWaalsContact OG1-N 3.08Å; T59-T63 PolarHBondContact OG1-O 3.35Å; T59-T63 PolarHBondContact OG1-OG1 2.97Å; D61-T63 VanDerWaalsContact C-N 3.34Å |
| 64 | I | 44.3 | Very low | 38.7 | Very low | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.051 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118 | 176.9 | -55.1 | 178.7 | 0 | 0 | 0 | 107.6 | F12 V55 F58 L66 | F12-I64 HydrophobicContact CE1-CD1 4.1Å; V55-I64 HydrophobicContact CG1-CG2 3.59Å; F58-I64 HydrophobicContact CD1-CD1 4.31Å; F58-I64 HydrophobicContact CD1-CG1 3.84Å; F58-I64 HydrophobicContact CE1-CD1 3.53Å; F58-I64 HydrophobicContact CE1-CG1 3.58Å; F58-I64 HydrophobicContact CZ-CD1 4.08Å; F58-I64 HydrophobicContact CZ-CG1 4.37Å; I64-L66 HydrophobicContact CG2-CD2 3.82Å; I64-L66 HydrophobicContact CG2-CG 4.39Å |
| 65 | G | 39.8 | Very low | 38 | Very low | 5 Ų | 5 | 64.3 Ų | 64.3 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S56 S57 | S56-G65 PolarHBondContact OG-O 3.26Å; S56-G65 VanDerWaalsContact OG-O 3.13Å; S57-G65 PolarHBondContact O-N 3.28Å |
| 66 | L | 45.8 | Very low | 37.3 | Very low | 18 Ų | 18 | 67.8 Ų | 67.8 | 9% | 0.094 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.9 | 170.6 | -56.4 | -178.3 | 0 | 0 | 0 | 108.8 | F6 V55 I64 I71 | F6-L66 HydrophobicContact CD2-CD1 4.29Å; F6-L66 HydrophobicContact CE2-CD1 3.8Å; F6-L66 HydrophobicContact CE2-CG 4.49Å; V55-L66 HydrophobicContact CG1-CD2 4.42Å; V55-L66 HydrophobicContact CG2-CD2 4.27Å; I64-L66 HydrophobicContact CG2-CD2 3.82Å; I64-L66 HydrophobicContact CG2-CG 4.39Å; L66-I71 HydrophobicContact CB-CD1 3.3Å; L66-I71 HydrophobicContact CB-CG1 4.28Å; L66-I71 HydrophobicContact CD1-CD1 4.46Å; L66-I71 WeakPolarHBondContact O-CD1 3.45Å |
| 67 | S | 41.3 | Very low | 36.6 | Very low | 45 Ų | 45 | 68.1 Ų | 68.1 | 32% | 0.315 | 46% | 0.456 | S | S | . | . | trans | -78.1 | 125.3 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | S56 S69 I71 | S56-S67 PolarHBondContact OG-N 2.77Å; S67-S69 PolarHBondContact O-N 2.85Å; S67-S69 VanDerWaalsContact O-N 3.09Å; S67-I71 WeakPolarHBondContact O-CD1 3.47Å; S67-I71 WeakPolarHBondContact O-CG1 3.31Å | ||
| 68 | S | 39.4 | Very low | 35.8 | Very low | 36 Ų | 36 | 69.2 Ų | 69.2 | 25% | 0.252 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -69.3 | -0.7 | -173.7 | 27.9 | 0 | 0 | 0 | 0 | 115.4 | S2 S70 I71 | S2-S68 WeakPolarHBondContact O-CB 3.39Å; S2-S68 PolarHBondContact O-OG 2.84Å; S68-S70 PolarHBondContact O-N 3.11Å; S68-I71 PolarHBondContact O-N 3.01Å; S68-I71 VanDerWaalsContact O-N 3.14Å |
| 69 | S | 37.9 | Very low | 34.8 | Very low | 115 Ų | 115 | 70 Ų | 70 | 80% | 0.804 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -55.5 | -16.5 | 173.1 | -51.8 | 0 | 0 | 0 | 0 | 113.4 | S67 | S67-S69 PolarHBondContact O-N 2.85Å; S67-S69 VanDerWaalsContact O-N 3.09Å |
| 70 | S | 35.7 | Very low | 34 | Very low | 70 Ų | 70 | 71.7 Ų | 71.7 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -140.1 | 25.6 | 172.9 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | S68 | S68-S70 PolarHBondContact O-N 3.11Š|
| 71 | I | 33.2 | Very low | 33.4 | Very low | 39 Ų | 39 | 67.5 Ų | 67.5 | 20% | 0.2 | 53% | 0.527 | C | S | . | . | trans | -105.9 | 78.9 | 179.6 | -46.9 | 167.3 | 0 | 0 | 0 | 109.5 | L66 S67 S68 Y73 | L66-I71 HydrophobicContact CB-CD1 3.3Å; L66-I71 HydrophobicContact CB-CG1 4.28Å; L66-I71 HydrophobicContact CD1-CD1 4.46Å; L66-I71 WeakPolarHBondContact O-CD1 3.45Å; S67-I71 WeakPolarHBondContact O-CD1 3.47Å; S67-I71 WeakPolarHBondContact O-CG1 3.31Å; S68-I71 PolarHBondContact O-N 3.01Å; S68-I71 VanDerWaalsContact O-N 3.14Å; I71-Y73 HydrophobicContact CB-CE2 4.14Å; I71-Y73 HydrophobicContact CG2-CD2 3.74Å; I71-Y73 HydrophobicContact CG2-CE1 4.24Å; I71-Y73 HydrophobicContact CG2-CE2 3.23Å; I71-Y73 HydrophobicContact CG2-CG 4.38Å; I71-Y73 VanDerWaalsContact CG2-CZ 3.49Å; I71-Y73 PolarHBondContact O-N 3.37Å | ||
| 72 | S | 29 | Very low | 32.7 | Very low | 115 Ų | 115 | 63.9 Ų | 63.9 | 80% | 0.804 | 53% | 0.525 | S | S | * | . | trans | -76.4 | 104.8 | 154.5 | -75.4 | 0 | 0 | 0 | 0 | 107.4 | P74 | S72-P74 WeakPolarHBondContact O-CD 3.14Š| ||
| 73 | Y | 29.2 | Very low | 32.4 | Very low | 97 Ų | 97 | 68.6 Ų | 68.6 | 38% | 0.38 | 56% | 0.556 | S | S | . | * | trans | -60.7 | 123.9 | 159.7 | -67.9 | -91 | 0 | 0 | 0 | 106.4 | F4 F6 I71 G75 | F4-Y73 WeakPolarHBondContact CB-OH 3.49Å; F4-Y73 HydrophobicContact CD1-CE1 4.49Å; F4-Y73 HydrophobicContact CD1-CE2 4.42Å; F4-Y73 AromaticContact CD1-CZ 3.83Å; F4-Y73 WeakPolarHBondContact CD1-OH 2.81Å; F4-Y73 AromaticContact CD2-CE2 3.61Å; F4-Y73 HydrophobicContact CD2-CE2 3.61Å; F4-Y73 AromaticContact CD2-CZ 3.6Å; F4-Y73 WeakPolarHBondContact CD2-OH 3.34Å; F4-Y73 HydrophobicContact CE1-CE2 4.19Å; F4-Y73 AromaticContact CE1-CZ 3.95Å; F4-Y73 HydrophobicContact CE2-CD2 4.33Å; F4-Y73 AromaticContact CE2-CE2 3.32Å; F4-Y73 HydrophobicContact CE2-CE2 3.32Å; F4-Y73 AromaticContact CE2-CZ 3.72Å; F4-Y73 HydrophobicContact CG-CE2 4.14Å; F4-Y73 AromaticContact CG-CZ 3.65Å; F4-Y73 WeakPolarHBondContact CG-OH 2.99Å; F4-Y73 HydrophobicContact CZ-CD2 4.4Å; F4-Y73 AromaticContact CZ-CE2 3.64Å; F4-Y73 HydrophobicContact CZ-CE2 3.64Å; F4-Y73 AromaticContact CZ-CZ 3.88Å; F6-Y73 HydrophobicContact CZ-CE1 4.29Å; I71-Y73 HydrophobicContact CB-CE2 4.14Å; I71-Y73 HydrophobicContact CG2-CD2 3.74Å; I71-Y73 HydrophobicContact CG2-CE1 4.24Å; I71-Y73 HydrophobicContact CG2-CE2 3.23Å; I71-Y73 HydrophobicContact CG2-CG 4.38Å; I71-Y73 VanDerWaalsContact CG2-CZ 3.49Å; I71-Y73 PolarHBondContact O-N 3.37Å; Y73-G75 PolarHBondContact O-N 3.45Å | ||
| 74 | P | 29.1 | Very low | 32.2 | Very low | 130 Ų | 130 | 72 Ų | 72 | 84% | 0.844 | 59% | 0.586 | S | S | * | * | trans | -68.3 | 77.9 | 161.8 | 29.1 | -30.3 | 0 | 0 | 0 | 106.5 | S72 G76 | S72-P74 WeakPolarHBondContact O-CD 3.14Å; P74-G76 PolarHBondContact O-N 3.25Å; P74-G76 VanDerWaalsContact O-N 3.17Å | ||
| 75 | G | 25.7 | Very low | 31.3 | Very low | 68 Ų | 68 | 80.7 Ų | 80.7 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | trans | -63.2 | 112.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | Y73 | Y73-G75 PolarHBondContact O-N 3.45Š| ||
| 76 | G | 26.1 | Very low | 30.8 | Very low | 82 Ų | 82 | 85.4 Ų | 85.4 | 85% | 0.845 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 49.3 | 87.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P74 | P74-G76 PolarHBondContact O-N 3.25Å; P74-G76 VanDerWaalsContact O-N 3.17Å |
| 77 | G | 24.8 | Very low | 30.1 | Very low | 76 Ų | 76 | 92.1 Ų | 92.1 | 78% | 0.784 | 69% | 0.691 | S | S | * | * | trans | 175.7 | 88.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 78 | G | 24.5 | Very low | 29.6 | Very low | 82 Ų | 82 | 94.9 Ų | 94.9 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | 68.8 | 104 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 79 | G | 24.8 | Very low | 29.4 | Very low | 87 Ų | 87 | 98 Ų | 98 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | 94.1 | 135.7 | 122.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 80 | G | 24.8 | Very low | 29.1 | Very low | 81 Ų | 81 | 97.7 Ų | 97.7 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | 100.6 | 77.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 81 | G | 26.5 | Very low | 29 | Very low | 79 Ų | 79 | 103.1 Ų | 103.1 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | 89.1 | 34.7 | 77.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S83 | G81-S83 PolarHBondContact O-N 2.98Š| |||
| 82 | G | 26.2 | Very low | 29.1 | Very low | 71 Ų | 71 | 107.2 Ų | 107.2 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -84.1 | 99.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | A84 | G82-A84 VanDerWaalsContact C-N 3.3Å; G82-A84 PolarHBondContact O-N 3.36Å | ||
| 83 | S | 31 | Very low | 29.1 | Very low | 114 Ų | 114 | 105 Ų | 105 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -47.2 | 99.1 | 169.1 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | G81 K85 | G81-S83 PolarHBondContact O-N 2.98Å; S83-K85 VanDerWaalsContact C-N 3.26Å; S83-K85 PolarHBondContact O-N 2.78Å | ||
| 84 | A | 36.6 | Very low | 29 | Very low | 92 Ų | 92 | 104.4 Ų | 104.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 104.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 103.6 | G82 S86 | G82-A84 VanDerWaalsContact C-N 3.3Å; G82-A84 PolarHBondContact O-N 3.36Å; A84-S86 PolarHBondContact O-N 3.48Å | ||
| 85 | K | 26.1 | Very low | 29 | Very low | 192 Ų | 192 | 102 Ų | 102 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -54.8 | 100.6 | 162.4 | -72.1 | -179.7 | 177.7 | 176.6 | 0 | 103.3 | S83 L87 | S83-K85 VanDerWaalsContact C-N 3.26Å; S83-K85 PolarHBondContact O-N 2.78Å; K85-L87 PolarHBondContact O-N 3.01Å | ||
| 86 | S | 28.4 | Very low | 29.2 | Very low | 105 Ų | 105 | 102.6 Ų | 102.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -56.4 | 100 | 172.7 | 50.7 | 0 | 0 | 0 | 0 | 104.2 | A84 S88 | A84-S86 PolarHBondContact O-N 3.48Å; S86-S88 PolarHBondContact O-N 2.62Å | ||
| 87 | L | 32.7 | Very low | 29.5 | Very low | 159 Ų | 159 | 102.3 Ų | 102.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -56.6 | 103.7 | 160 | -70.5 | 170 | 0 | 0 | 0 | 102.8 | K85 S89 | K85-L87 PolarHBondContact O-N 3.01Å; L87-S89 PolarHBondContact O-N 2.89Å | ||
| 88 | S | 29.7 | Very low | 30.1 | Very low | 103 Ų | 103 | 103.8 Ų | 103.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -66.1 | 73.9 | 171.3 | 58.2 | 0 | 0 | 0 | 0 | 106.4 | S86 S90 | S86-S88 PolarHBondContact O-N 2.62Å; S88-S90 PolarHBondContact O-N 3.23Å | ||
| 89 | S | 36.5 | Very low | 31.1 | Very low | 101 Ų | 101 | 105.4 Ų | 105.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -70.8 | 88.1 | 154.3 | 58.4 | 0 | 0 | 0 | 0 | 104.2 | L87 K91 | L87-S89 PolarHBondContact O-N 2.89Å; S89-K91 PolarHBondContact O-N 3.24Å | ||
| 90 | S | 29.9 | Very low | 31.6 | Very low | 108 Ų | 108 | 108.3 Ų | 108.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -51.7 | 91.7 | 156.5 | -46.6 | 0 | 0 | 0 | 0 | 105.9 | S88 P92 | S88-S90 PolarHBondContact O-N 3.23Å; S90-P92 VanDerWaalsContact O-CD 3.31Å; S90-P92 WeakPolarHBondContact O-CD 3.09Å | ||
| 91 | K | 34.8 | Very low | 32.2 | Very low | 184 Ų | 184 | 111.6 Ų | 111.6 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -79.3 | 109.9 | 165.7 | -148.5 | -174.8 | -179.9 | 81.6 | 0 | 103.4 | S89 G93 | S89-K91 PolarHBondContact O-N 3.24Å; K91-G93 PolarHBondContact O-N 3.21Å; K91-G93 VanDerWaalsContact O-N 3.07Å | ||
| 92 | P | 35.4 | Very low | 33 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -69.6 | 111 | -177.1 | 27.5 | -29.6 | 0 | 0 | 0 | 108.2 | S90 | S90-P92 VanDerWaalsContact O-CD 3.31Å; S90-P92 WeakPolarHBondContact O-CD 3.09Å | ||
| 93 | G | 27.5 | Very low | 34.5 | Very low | 68 Ų | 68 | 124.7 Ų | 124.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 68.9 | 131.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K91 | K91-G93 PolarHBondContact O-N 3.21Å; K91-G93 VanDerWaalsContact O-N 3.07Å | ||
| 94 | G | 27.4 | Very low | 34.6 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | cis | 121.4 | 117.3 | 31 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 95 | G | 29.9 | Very low | 34.5 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 127.5 | 84.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G97 | G95-G97 PolarHBondContact O-N 2.66Š| ||
| 96 | G | 29.4 | Very low | 35 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -63.9 | 118.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 97 | G | 32.6 | Very low | 35.4 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -82.1 | 110.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | G95 | G95-G97 PolarHBondContact O-N 2.66Š| ||
| 98 | S | 38.6 | Very low | 35.6 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -52.7 | 139.6 | 173.9 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | L100 | S98-L100 PolarHBondContact O-N 3.05Š| ||
| 99 | P | 45.3 | Very low | 35.9 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -65.1 | 126 | 176.8 | 26.6 | -32.6 | 0 | 0 | 0 | 110 | I101 | P99-I101 PolarHBondContact O-N 3.43Š| ||
| 100 | L | 34.9 | Very low | 35.9 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -64.1 | 114 | 173.3 | -67.5 | 170.5 | 0 | 0 | 0 | 109 | S98 F102 | S98-L100 PolarHBondContact O-N 3.05Å; L100-F102 HydrophobicContact CB-CE2 4.28Å | ||
| 101 | I | 36.7 | Very low | 36.4 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 77% | 0.774 | 83% | 0.827 | S | S | * | * | trans | -84.9 | 117.7 | 168.3 | -66.7 | 158.3 | 0 | 0 | 0 | 106.6 | P99 | P99-I101 PolarHBondContact O-N 3.43Š| ||
| 102 | F | 43.4 | Very low | 36.5 | Very low | 184 Ų | 184 | 121.8 Ų | 121.8 | 81% | 0.807 | 83% | 0.829 | S | S | * | * | trans | -83.1 | 117.5 | 169.1 | -69 | -88.9 | 0 | 0 | 0 | 108 | L100 | L100-F102 HydrophobicContact CB-CE2 4.28Š| ||
| 103 | L | 57 | Low | 36.6 | Very low | 241 Ų | 241 | 121.5 Ų | 121.5 | 100% | 1.262 | 83% | 0.83 | S | S | * | * | trans | -69.4 | 0 | 170.2 | -74.2 | 159.3 | 0 | 0 | 0 | 110.8 |
Retrieved 103 of 103 residues in 17 ms
(Link to these results)