| 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 | 51.5 | Low | 62.2 | Low | 210 Ų | 210 | 111.2 Ų | 111.2 | 100% | 1.034 | 62% | 0.618 | S | S | * | * | 0 | -21.4 | 0 | -67.5 | 178.5 | 139.2 | 0 | 0 | 114.7 | V3 | M1-V3 PolarHBondContact O-N 3.22Š| |||
| 2 | K | 58.7 | Low | 62 | Low | 196 Ų | 196 | 112.8 Ų | 112.8 | 85% | 0.852 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -22.9 | -178.4 | -117.8 | 91.2 | 171.2 | 179.4 | 0 | 115.8 | P6 | K2-P6 WeakPolarHBondContact O-CD 3.49Š|
| 3 | V | 59.1 | Low | 61.9 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 65% | 0.648 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -18.6 | -173.8 | -97.3 | 0 | 0 | 0 | 0 | 114.4 | M1 P6 V7 | M1-V3 PolarHBondContact O-N 3.22Å; V3-P6 WeakPolarHBondContact O-CD 3.33Å; V3-P6 WeakPolarHBondContact O-CG 3.13Å; V3-V7 WeakPolarHBondContact O-CB 3.37Å; V3-V7 WeakPolarHBondContact O-CG2 3.34Å; V3-V7 PolarHBondContact O-N 3.37Å |
| 4 | L | 62.6 | Low | 61.4 | Low | 129 Ų | 129 | 111.2 Ų | 111.2 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.4 | -37.4 | 179.2 | -82.7 | 158.5 | 0 | 0 | 0 | 112.1 | L8 | L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 PolarHBondContact O-N 2.92Å |
| 5 | L | 62.4 | Low | 60.8 | Low | 93 Ų | 93 | 109.9 Ų | 109.9 | 49% | 0.487 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.5 | -51.3 | -179.6 | -141.8 | 90.1 | 0 | 0 | 0 | 113.1 | V7 L8 L9 | L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 3.44Å; L5-L8 PolarHBondContact O-N 2.84Å; L5-L9 WeakPolarHBondContact O-CB 3.14Å; L5-L9 PolarHBondContact O-N 3.44Å |
| 6 | P | 61.9 | Low | 60 | Low | 73 Ų | 73 | 115.3 Ų | 115.3 | 47% | 0.474 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.2 | -31.5 | 177.6 | 24.4 | -33.2 | 0 | 0 | 0 | 112.6 | K2 V3 L9 A10 | K2-P6 WeakPolarHBondContact O-CD 3.49Å; V3-P6 WeakPolarHBondContact O-CD 3.33Å; V3-P6 WeakPolarHBondContact O-CG 3.13Å; P6-L9 PolarHBondContact O-N 3.5Å; P6-A10 WeakPolarHBondContact O-CB 3.47Å; P6-A10 PolarHBondContact O-N 3.46Å |
| 7 | V | 68.5 | Low | 59.6 | Low | 95 Ų | 95 | 119.9 Ų | 119.9 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.1 | -41.4 | 175.5 | 171 | 0 | 0 | 0 | 0 | 111.5 | V3 L5 A10 A11 | V3-V7 WeakPolarHBondContact O-CB 3.37Å; V3-V7 WeakPolarHBondContact O-CG2 3.34Å; V3-V7 PolarHBondContact O-N 3.37Å; L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 3.44Å; V7-A10 PolarHBondContact O-N 3.41Å; V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.18Å |
| 8 | L | 66 | Low | 59.2 | Low | 104 Ų | 104 | 119 Ų | 119 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -66.2 | -39.2 | 175.4 | -172.5 | 68.3 | 0 | 0 | 0 | 111.7 | L4 L5 A11 L12 | L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 PolarHBondContact O-N 2.92Å; L5-L8 PolarHBondContact O-N 2.84Å; L8-A11 PolarHBondContact O-N 2.92Å; L8-L12 HydrophobicContact CG-CD1 4.43Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 2.97Å |
| 9 | L | 62.9 | Low | 59.4 | Low | 93 Ų | 93 | 120.5 Ų | 120.5 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -65.9 | -42.4 | 176.7 | -138.8 | 75.5 | 0 | 0 | 0 | 111.5 | L5 P6 L12 L13 | L5-L9 WeakPolarHBondContact O-CB 3.14Å; L5-L9 PolarHBondContact O-N 3.44Å; P6-L9 PolarHBondContact O-N 3.5Å; L9-L12 PolarHBondContact O-N 3.31Å; L9-L13 HydrophobicContact CG-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 VanDerWaalsContact O-CG 3.22Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.39Å |
| 10 | A | 65.1 | Low | 60.5 | Low | 60 Ų | 60 | 116.5 Ų | 116.5 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.4 | -38.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P6 V7 L12 L13 G14 | P6-A10 WeakPolarHBondContact O-CB 3.47Å; P6-A10 PolarHBondContact O-N 3.46Å; V7-A10 PolarHBondContact O-N 3.41Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 2.91Å; A10-L13 PolarHBondContact O-N 3.41Å; A10-G14 WeakPolarHBondContact O-CA 3.44Å; A10-G14 PolarHBondContact O-N 2.97Å |
| 11 | A | 65 | Low | 62 | Low | 63 Ų | 63 | 112.2 Ų | 112.2 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.3 | -34.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V7 L8 | V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.18Å; L8-A11 PolarHBondContact O-N 2.92Å |
| 12 | L | 60.4 | Low | 64 | Low | 130 Ų | 130 | 103.2 Ų | 103.2 | 68% | 0.681 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.2 | -32.4 | 175.3 | -72.7 | 166.4 | 0 | 0 | 0 | 112.9 | L8 L9 A10 | L8-L12 HydrophobicContact CG-CD1 4.43Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 2.97Å; L9-L12 PolarHBondContact O-N 3.31Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 2.91Å |
| 13 | L | 60.4 | Low | 65.8 | Low | 143 Ų | 143 | 93.9 Ų | 93.9 | 75% | 0.749 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -84.8 | -22.7 | 179.1 | -67.5 | 169.4 | 0 | 0 | 0 | 113.2 | L9 A10 | L9-L13 HydrophobicContact CG-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 VanDerWaalsContact O-CG 3.22Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.39Å; A10-L13 PolarHBondContact O-N 3.41Å |
| 14 | G | 54.3 | Low | 67.5 | Low | 61 Ų | 61 | 89.7 Ų | 89.7 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | trans | -89.1 | 6.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A10 E16 | A10-G14 WeakPolarHBondContact O-CA 3.44Å; A10-G14 PolarHBondContact O-N 2.97Å; G14-E16 PolarHBondContact O-N 3.03Å | ||
| 15 | V | 53.1 | Low | 69.1 | Low | 92 Ų | 92 | 84.8 Ų | 84.8 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | trans | -87.3 | 87.2 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 109 | R17 | V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 HydrophobicContact CG1-CB 4.46Å; V15-R17 HydrophobicContact CG1-CG 3.47Å; V15-R17 VanDerWaalsContact CG1-CG 3.47Å; V15-R17 PolarHBondContact O-N 2.94Å | ||
| 16 | E | 47.7 | Very low | 70.6 | Confident | 195 Ų | 195 | 81.1 Ų | 81.1 | 91% | 0.911 | 47% | 0.467 | S | S | * | . | trans | -62.8 | 103.7 | 150.2 | -98.1 | -154.2 | 94.1 | 0 | 0 | 107 | G14 A18 | G14-E16 PolarHBondContact O-N 3.03Å; E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.49Å | ||
| 17 | R | 53.3 | Low | 72.2 | Confident | 195 Ų | 195 | 82.6 Ų | 82.6 | 74% | 0.736 | 48% | 0.475 | S | S | * | . | trans | -74.8 | 89.7 | 173.9 | -75.2 | -158.6 | -173.8 | 175.2 | 3.2 | 108.8 | V15 H19 | V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 HydrophobicContact CG1-CB 4.46Å; V15-R17 HydrophobicContact CG1-CG 3.47Å; V15-R17 VanDerWaalsContact CG1-CG 3.47Å; V15-R17 PolarHBondContact O-N 2.94Å; R17-H19 HydrophobicContact CB-CB 4.47Å; R17-H19 PolarHBondContact O-N 3.17Å | ||
| 18 | A | 52.9 | Low | 73.3 | Confident | 103 Ų | 103 | 83.5 Ų | 83.5 | 85% | 0.851 | 48% | 0.477 | S | S | * | . | trans | -72.7 | 51.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E16 | E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.49Å | ||
| 19 | H | 63.7 | Low | 74.6 | Confident | 147 Ų | 147 | 83 Ų | 83 | 68% | 0.681 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -101.7 | 121.6 | 173.5 | -84.5 | -84.2 | 0 | 0 | 0 | 108.3 | R17 L21 | R17-H19 HydrophobicContact CB-CB 4.47Å; R17-H19 PolarHBondContact O-N 3.17Å; H19-L21 PolarHBondContact O-N 3.07Å |
| 20 | S | 81.1 | Confident | 75.9 | Confident | 40 Ų | 40 | 83.9 Ų | 83.9 | 28% | 0.28 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -46 | 124.4 | 164.9 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | I40 | S20-I40 VanDerWaalsContact OG-CG2 3.31Å; S20-I40 WeakPolarHBondContact OG-CG2 3.26Å |
| 21 | L | 91.1 | Very high | 76.9 | Confident | 27 Ų | 27 | 83.1 Ų | 83.1 | 14% | 0.141 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 146 | 178.4 | -175.3 | 64.5 | 0 | 0 | 0 | 109.5 | H19 C41 | H19-L21 PolarHBondContact O-N 3.07Å; L21-C41 HydrophobicContact CB-CB 4.22Å; L21-C41 WeakPolarHBondContact O-CB 3.02Å; L21-C41 PolarHBondContact O-N 2.02Å; L21-C41 PolarHBondContact O-SG 3Å |
| 22 | V | 94.4 | Very high | 78.1 | Confident | 21 Ų | 21 | 82 Ų | 82 | 13% | 0.127 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.6 | 173.1 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | P38 T39 I40 F95 L96 | V22-P38 HydrophobicContact CG1-CB 4.46Å; V22-T39 WeakPolarHBondContact CA-O 3.28Å; V22-T39 WeakPolarHBondContact CG1-O 3.23Å; V22-I40 HydrophobicContact CG2-CG1 4.22Å; V22-F95 HydrophobicContact CB-CD2 3.64Å; V22-F95 HydrophobicContact CB-CE2 3.42Å; V22-F95 VanDerWaalsContact CB-CE2 3.42Å; V22-F95 HydrophobicContact CB-CZ 4.26Å; V22-F95 HydrophobicContact CG1-CE2 4.03Å; V22-F95 HydrophobicContact CG1-CZ 4.43Å; V22-F95 HydrophobicContact CG2-CD2 3.91Å; V22-F95 HydrophobicContact CG2-CE2 3.52Å; V22-L96 HydrophobicContact CG1-CD2 3.88Å; V22-L96 PolarHBondContact O-N 3.31Å |
| 23 | C | 95.2 | Very high | 79.5 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 163.1 | -177.2 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | P38 T39 C41 C48 | C23-P38 CarbonylContact O-C 3.59Å; C23-T39 PolarHBondContact N-O 2.93Å; C23-T39 PolarHBondContact O-N 3.02Å; C23-C41 PolarHBondContact SG-SG 3.37Å; C23-C48 VanDerWaalsContact CA-SG 3.6Å; C23-C48 HydrophobicContact CB-CB 3.7Å; C23-C48 WeakPolarHBondContact CB-SG 3.04Å; C23-C48 WeakPolarHBondContact SG-CA 3.31Å; C23-C48 WeakPolarHBondContact SG-CB 3.37Å; C23-C48 CovalentContact SG-SG 2.02Å; C23-C48 PolarHBondContact SG-SG 3.12Å |
| 24 | F | 96.2 | Very high | 80.9 | Confident | 19 Ų | 19 | 83.8 Ų | 83.8 | 8% | 0.083 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 137.2 | 162.4 | -66.5 | -66.1 | 0 | 0 | 0 | 110 | L36 K37 P38 K69 L96 N98 I99 | F24-L36 VanDerWaalsContact CD1-CA 3.44Å; F24-L36 HydrophobicContact CD1-CB 4.04Å; F24-L36 HydrophobicContact CD1-CD2 4.15Å; F24-L36 WeakPolarHBondContact CD1-O 3.34Å; F24-L36 HydrophobicContact CD2-CD2 3.93Å; F24-L36 HydrophobicContact CE1-CB 4.02Å; F24-L36 HydrophobicContact CE1-CD2 4.21Å; F24-L36 WeakPolarHBondContact CE1-O 3.03Å; F24-L36 HydrophobicContact CE2-CD2 4.01Å; F24-L36 HydrophobicContact CG-CD2 3.98Å; F24-L36 HydrophobicContact CZ-CD2 4.13Å; F24-K37 CarbonylContact C-O 3.37Å; F24-K37 VanDerWaalsContact CA-O 3.31Å; F24-K37 WeakPolarHBondContact CA-O 3.41Å; F24-P38 HydrophobicContact CE1-CB 4.44Å; F24-K69 HydrophobicContact CB-CD 4.02Å; F24-K69 VanDerWaalsContact O-CB 3.22Å; F24-K69 WeakPolarHBondContact O-CB 3.02Å; F24-L96 HydrophobicContact CD1-CD2 4.18Å; F24-L96 HydrophobicContact CD2-CB 4.32Å; F24-L96 HydrophobicContact CD2-CD2 4.17Å; F24-L96 HydrophobicContact CE1-CD2 4.02Å; F24-L96 HydrophobicContact CE2-CB 3.73Å; F24-L96 HydrophobicContact CE2-CD1 4.43Å; F24-L96 HydrophobicContact CE2-CD2 3.98Å; F24-L96 HydrophobicContact CE2-CG 4.26Å; F24-L96 HydrophobicContact CG-CD2 4.29Å; F24-L96 HydrophobicContact CZ-CB 4.15Å; F24-L96 HydrophobicContact CZ-CD1 3.99Å; F24-L96 HydrophobicContact CZ-CD2 3.92Å; F24-L96 HydrophobicContact CZ-CG 4.25Å; F24-N98 WeakPolarHBondContact CB-OD1 3.07Å; F24-N98 PolarHBondContact N-OD1 2.66Å; F24-N98 PolarHBondContact O-ND2 3Å; F24-I99 HydrophobicContact CD2-CB 4.17Å; F24-I99 HydrophobicContact CE2-CB 3.7Å; F24-I99 HydrophobicContact CE2-CD1 4.3Å; F24-I99 HydrophobicContact CE2-CG1 3.81Å; F24-I99 HydrophobicContact CZ-CG1 4.42Å |
| 25 | S | 95.1 | Very high | 82.8 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.5 | 174.5 | 76.1 | 0 | 0 | 0 | 0 | 111.6 | K37 T39 K69 | S25-K37 PolarHBondContact N-O 2.94Å; S25-K37 WeakPolarHBondContact O-CB 3.47Å; S25-T39 WeakPolarHBondContact CB-OG1 3.44Å; S25-T39 PolarHBondContact OG-OG1 3.23Å; S25-K69 VanDerWaalsContact CA-O 3.27Å; S25-K69 WeakPolarHBondContact CA-O 3.46Å |
| 26 | C | 95.2 | Very high | 84.7 | Confident | 16 Ų | 16 | 79.2 Ų | 79.2 | 11% | 0.108 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 164 | 168.6 | 85 | 0 | 0 | 0 | 0 | 110 | K29 C35 L67 N68 K69 | C26-K29 HydrophobicContact CB-CG 4.04Å; C26-C35 HydrophobicContact CB-CB 3.72Å; C26-C35 WeakPolarHBondContact CB-SG 3.38Å; C26-C35 WeakPolarHBondContact SG-CB 3.27Å; C26-C35 CovalentContact SG-SG 2Å; C26-C35 PolarHBondContact SG-SG 3.16Å; C26-L67 PolarHBondContact SG-O 2.91Å; C26-L67 VanDerWaalsContact SG-O 3.41Å; C26-N68 WeakPolarHBondContact O-CA 3.22Å; C26-K69 PolarHBondContact N-O 3.39Å; C26-K69 PolarHBondContact O-N 3.06Å |
| 27 | T | 94.5 | Very high | 87 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 64% | 0.644 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.9 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 28 | N | 91.8 | Very high | 89.1 | Confident | 114 Ų | 114 | 71.4 Ų | 71.4 | 61% | 0.61 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.5 | 56.8 | 171.7 | -157 | -91 | 0 | 0 | 0 | 113.6 | T66 L67 N68 | N28-T66 HydrophobicContact CB-CG2 4.31Å; N28-T66 WeakPolarHBondContact ND2-CG2 3.46Å; N28-L67 PolarHBondContact N-O 3.31Å; N28-N68 PolarHBondContact N-OD1 2.93Å |
| 29 | K | 93.8 | Very high | 91.1 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 40% | 0.404 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 145.1 | 174.2 | -63.7 | -58.7 | -179.6 | -170.7 | 0 | 111.1 | C26 C35 T66 L67 | C26-K29 HydrophobicContact CB-CG 4.04Å; K29-C35 HydrophobicContact CB-CB 4.22Å; K29-C35 HydrophobicContact CG-CB 4.42Å; K29-T66 CarbonylContact O-C 3.46Å; K29-L67 PolarHBondContact N-O 3.3Å; K29-L67 WeakPolarHBondContact O-CA 3.04Å; K29-L67 WeakPolarHBondContact O-CB 3.23Å; K29-L67 PolarHBondContact O-N 3.42Å |
| 30 | N | 89.5 | Confident | 92.6 | Very high | 112 Ų | 112 | 67.5 Ų | 67.5 | 60% | 0.599 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -89.4 | -6.6 | 178.2 | 69.3 | 9.8 | 0 | 0 | 0 | 113.4 | Y65 | N30-Y65 VanDerWaalsContact O-CD1 3.26Å; N30-Y65 WeakPolarHBondContact O-CD1 3.47Å; N30-Y65 WeakPolarHBondContact O-CE1 3.23Å |
| 31 | S | 86.5 | Confident | 93.2 | Very high | 43 Ų | 43 | 66 Ų | 66 | 30% | 0.301 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -145.6 | 143 | -174.9 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | F33 Y34 | S31-F33 PolarHBondContact O-N 2.8Å; S31-F33 PolarHBondContact OG-N 3.29Å; S31-Y34 PolarHBondContact O-N 3.47Å |
| 32 | N | 89.4 | Confident | 93.4 | Very high | 41 Ų | 41 | 67.6 Ų | 67.6 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -58.1 | -38.1 | 175.9 | -177.8 | -87.6 | 0 | 0 | 0 | 111.9 | Y34 C35 L36 L67 K69 I99 A101 | N32-Y34 VanDerWaalsContact C-N 3.27Å; N32-Y34 PolarHBondContact O-N 2.59Å; N32-C35 CarbonylContact O-C 3.55Å; N32-C35 VanDerWaalsContact O-CA 3.3Å; N32-C35 WeakPolarHBondContact O-CA 3.5Å; N32-C35 WeakPolarHBondContact O-CB 3.41Å; N32-C35 PolarHBondContact O-N 3.35Å; N32-L36 WeakPolarHBondContact O-CG 3.16Å; N32-L67 HydrophobicContact CB-CD2 4.27Å; N32-K69 PolarHBondContact ND2-NZ 2.98Å; N32-I99 PolarHBondContact ND2-O 3.1Å; N32-I99 PolarHBondContact OD1-O 2.99Å; N32-I99 VanDerWaalsContact OD1-O 3.07Å; N32-A101 PolarHBondContact ND2-N 2.79Å |
| 33 | F | 89.5 | Confident | 93.1 | Very high | 155 Ų | 155 | 73.4 Ų | 73.4 | 68% | 0.68 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -37.9 | -178 | -171.9 | -97.1 | 0 | 0 | 0 | 112.6 | S31 C35 | S31-F33 PolarHBondContact O-N 2.8Å; S31-F33 PolarHBondContact OG-N 3.29Å; F33-C35 PolarHBondContact O-N 3.06Å |
| 34 | Y | 91.1 | Very high | 92.9 | Very high | 154 Ų | 154 | 76.5 Ų | 76.5 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 3.1 | 175.7 | -55.7 | -55 | 0 | 0 | 0 | 113.4 | S31 N32 | S31-Y34 PolarHBondContact O-N 3.47Å; N32-Y34 VanDerWaalsContact C-N 3.27Å; N32-Y34 PolarHBondContact O-N 2.59Å |
| 35 | C | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.408 | C | S | . | . | trans | -124.7 | 41 | -173.8 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | C26 K29 N32 F33 L67 K69 | C26-C35 HydrophobicContact CB-CB 3.72Å; C26-C35 WeakPolarHBondContact CB-SG 3.38Å; C26-C35 WeakPolarHBondContact SG-CB 3.27Å; C26-C35 CovalentContact SG-SG 2Å; C26-C35 PolarHBondContact SG-SG 3.16Å; K29-C35 HydrophobicContact CB-CB 4.22Å; K29-C35 HydrophobicContact CG-CB 4.42Å; N32-C35 CarbonylContact O-C 3.55Å; N32-C35 VanDerWaalsContact O-CA 3.3Å; N32-C35 WeakPolarHBondContact O-CA 3.5Å; N32-C35 WeakPolarHBondContact O-CB 3.41Å; N32-C35 PolarHBondContact O-N 3.35Å; F33-C35 PolarHBondContact O-N 3.06Å; C35-L67 HydrophobicContact CB-CD2 3.92Å; C35-K69 PolarHBondContact O-NZ 3.45Å; C35-K69 VanDerWaalsContact O-NZ 3.1Å; C35-K69 WeakPolarHBondContact SG-CD 3.27Å; C35-K69 WeakPolarHBondContact SG-CG 3.42Å | ||
| 36 | L | 94.4 | Very high | 92.5 | Very high | 58 Ų | 58 | 79.9 Ų | 79.9 | 30% | 0.304 | 42% | 0.421 | S | S | . | . | trans | -121.5 | 39.6 | 179.5 | -65 | 176.1 | 0 | 0 | 0 | 112 | F24 N32 P38 I99 | F24-L36 VanDerWaalsContact CD1-CA 3.44Å; F24-L36 HydrophobicContact CD1-CB 4.04Å; F24-L36 HydrophobicContact CD1-CD2 4.15Å; F24-L36 WeakPolarHBondContact CD1-O 3.34Å; F24-L36 HydrophobicContact CD2-CD2 3.93Å; F24-L36 HydrophobicContact CE1-CB 4.02Å; F24-L36 HydrophobicContact CE1-CD2 4.21Å; F24-L36 WeakPolarHBondContact CE1-O 3.03Å; F24-L36 HydrophobicContact CE2-CD2 4.01Å; F24-L36 HydrophobicContact CG-CD2 3.98Å; F24-L36 HydrophobicContact CZ-CD2 4.13Å; N32-L36 WeakPolarHBondContact O-CG 3.16Å; L36-P38 VanDerWaalsContact O-CD 3.3Å; L36-P38 WeakPolarHBondContact O-CD 3.31Å; L36-I99 HydrophobicContact CD2-CG1 3.93Å | ||
| 37 | K | 96.3 | Very high | 92.3 | Very high | 144 Ų | 144 | 82.4 Ų | 82.4 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 111.9 | 172.7 | -176.4 | -174.7 | 177.9 | -175.4 | 0 | 109.8 | F24 S25 | F24-K37 CarbonylContact C-O 3.37Å; F24-K37 VanDerWaalsContact CA-O 3.31Å; F24-K37 WeakPolarHBondContact CA-O 3.41Å; S25-K37 PolarHBondContact N-O 2.94Å; S25-K37 WeakPolarHBondContact O-CB 3.47Å |
| 38 | P | 95.6 | Very high | 92.3 | Very high | 81 Ų | 81 | 77.4 Ų | 77.4 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 142.1 | 176.9 | 28.3 | -34 | 0 | 0 | 0 | 110.4 | V22 C23 F24 L36 L96 | V22-P38 HydrophobicContact CG1-CB 4.46Å; C23-P38 CarbonylContact O-C 3.59Å; F24-P38 HydrophobicContact CE1-CB 4.44Å; L36-P38 VanDerWaalsContact O-CD 3.3Å; L36-P38 WeakPolarHBondContact O-CD 3.31Å; P38-L96 HydrophobicContact CB-CD2 4.13Å |
| 39 | T | 95.6 | Very high | 92.4 | Very high | 43 Ų | 43 | 72.5 Ų | 72.5 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 129.4 | -176.1 | -61.6 | 0 | 0 | 0 | 0 | 109.2 | V22 C23 S25 | V22-T39 WeakPolarHBondContact CA-O 3.28Å; V22-T39 WeakPolarHBondContact CG1-O 3.23Å; C23-T39 PolarHBondContact N-O 2.93Å; C23-T39 PolarHBondContact O-N 3.02Å; S25-T39 WeakPolarHBondContact CB-OG1 3.44Å; S25-T39 PolarHBondContact OG-OG1 3.23Å |
| 40 | I | 95.7 | Very high | 92.3 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 64% | 0.641 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.1 | 173.8 | -57.6 | 169.7 | 0 | 0 | 0 | 107.4 | S20 V22 | S20-I40 VanDerWaalsContact OG-CG2 3.31Å; S20-I40 WeakPolarHBondContact OG-CG2 3.26Å; V22-I40 HydrophobicContact CG2-CG1 4.22Å |
| 41 | C | 94.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 164.1 | 179.6 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | L21 C23 D45 C71 | L21-C41 HydrophobicContact CB-CB 4.22Å; L21-C41 WeakPolarHBondContact O-CB 3.02Å; L21-C41 PolarHBondContact O-N 2.02Å; L21-C41 PolarHBondContact O-SG 3Å; C23-C41 PolarHBondContact SG-SG 3.37Å; C41-D45 HydrophobicContact CB-CB 3.73Å; C41-C71 WeakPolarHBondContact CA-SG 3.31Å; C41-C71 HydrophobicContact CB-CB 3.5Å; C41-C71 VanDerWaalsContact CB-CB 3.5Å; C41-C71 WeakPolarHBondContact CB-SG 3.43Å; C41-C71 WeakPolarHBondContact SG-CB 3.45Å; C41-C71 CovalentContact SG-SG 2.03Å; C41-C71 PolarHBondContact SG-SG 2.96Å |
| 42 | S | 93.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 64.2 Ų | 64.2 | 43% | 0.427 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 156.8 | 170.3 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | S44 D45 | S42-S44 WeakPolarHBondContact CB-OG 3.28Å; S42-S44 PolarHBondContact O-N 2.03Å; S42-S44 PolarHBondContact OG-N 3.33Å; S42-S44 PolarHBondContact OG-OG 2.95Å; S42-D45 WeakPolarHBondContact CB-OD2 3Å; S42-D45 PolarHBondContact N-OD2 2.79Å; S42-D45 VanDerWaalsContact N-OD2 3.12Å; S42-D45 WeakPolarHBondContact O-CB 3.32Å; S42-D45 PolarHBondContact O-N 2.76Å |
| 43 | D | 89.8 | Confident | 92.5 | Very high | 143 Ų | 143 | 64 Ų | 64 | 77% | 0.765 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.8 | 172.9 | -62.2 | -49.5 | 0 | 0 | 0 | 112.5 | D45 | D43-D45 VanDerWaalsContact C-N 3.34Š|
| 44 | S | 89.9 | Confident | 92.4 | Very high | 65 Ų | 65 | 58.7 Ų | 58.7 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.9 | 173.9 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | S42 N46 P73 | S42-S44 WeakPolarHBondContact CB-OG 3.28Å; S42-S44 PolarHBondContact O-N 2.03Å; S42-S44 PolarHBondContact OG-N 3.33Å; S42-S44 PolarHBondContact OG-OG 2.95Å; S44-N46 PolarHBondContact O-N 2.68Å; S44-N46 PolarHBondContact O-ND2 3.02Å; S44-P73 WeakPolarHBondContact O-CA 3.3Å; S44-P73 VanDerWaalsContact O-CB 3.31Å; S44-P73 WeakPolarHBondContact O-CB 3.37Å |
| 45 | D | 92.6 | Very high | 92.2 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | trans | -89.3 | 111.2 | -173.3 | -67.7 | -24.3 | 0 | 0 | 0 | 110.9 | C41 S42 D43 C71 P73 | C41-D45 HydrophobicContact CB-CB 3.73Å; S42-D45 WeakPolarHBondContact CB-OD2 3Å; S42-D45 PolarHBondContact N-OD2 2.79Å; S42-D45 VanDerWaalsContact N-OD2 3.12Å; S42-D45 WeakPolarHBondContact O-CB 3.32Å; S42-D45 PolarHBondContact O-N 2.76Å; D43-D45 VanDerWaalsContact C-N 3.34Å; D45-C71 HydrophobicContact CB-CB 3.91Å; D45-C71 VanDerWaalsContact OD2-CB 3.27Å; D45-C71 WeakPolarHBondContact OD2-CB 3.35Å; D45-P73 VanDerWaalsContact OD1-CD 3.27Å; D45-P73 WeakPolarHBondContact OD1-CD 3.45Å | ||
| 46 | N | 89.8 | Confident | 91.7 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | trans | -102.6 | -2.5 | -175.3 | -67.1 | -75.9 | 0 | 0 | 0 | 113.2 | S44 S72 Q93 | S44-N46 PolarHBondContact O-N 2.68Å; S44-N46 PolarHBondContact O-ND2 3.02Å; N46-S72 PolarHBondContact N-O 2.03Å; N46-S72 VanDerWaalsContact N-O 3.17Å; N46-Q93 VanDerWaalsContact O-CG 3.26Å; N46-Q93 WeakPolarHBondContact O-CG 3.46Å; N46-Q93 PolarHBondContact O-NE2 2.78Å; N46-Q93 VanDerWaalsContact O-NE2 3.16Å | ||
| 47 | Y | 92.1 | Very high | 90.9 | Very high | 69 Ų | 69 | 55 Ų | 55 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 133.1 | -174.3 | -59.7 | -86.8 | 0 | 0 | 0 | 112.3 | C71 S72 P73 C75 C91 C92 Q93 | Y47-C71 CarbonylContact O-C 3.32Å; Y47-C71 WeakPolarHBondContact O-CA 3.31Å; Y47-S72 PolarHBondContact N-O 3.02Å; Y47-S72 PolarHBondContact O-N 3.45Å; Y47-P73 WeakPolarHBondContact CD2-O 3.38Å; Y47-P73 WeakPolarHBondContact CE2-O 3.45Å; Y47-C75 HydrophobicContact CD1-CB 4.32Å; Y47-C75 HydrophobicContact CG-CB 4.46Å; Y47-C91 HydrophobicContact CD1-CB 4.2Å; Y47-C92 CarbonylContact C-O 3.53Å; Y47-C92 WeakPolarHBondContact CA-O 2.94Å; Y47-Q93 HydrophobicContact CD1-CG 3.49Å; Y47-Q93 VanDerWaalsContact CD1-CG 3.49Å; Y47-Q93 HydrophobicContact CE1-CG 3.53Å; Y47-Q93 HydrophobicContact CG-CG 4.37Å; Y47-Q93 VanDerWaalsContact CZ-NE2 3.26Å; Y47-Q93 PolarHBondContact OH-NE2 3.05Å |
| 48 | C | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.6 | 155.6 | -55.9 | 0 | 0 | 0 | 0 | 108.6 | C23 G70 C91 C92 C97 N98 | C23-C48 VanDerWaalsContact CA-SG 3.6Å; C23-C48 HydrophobicContact CB-CB 3.7Å; C23-C48 WeakPolarHBondContact CB-SG 3.04Å; C23-C48 WeakPolarHBondContact SG-CA 3.31Å; C23-C48 WeakPolarHBondContact SG-CB 3.37Å; C23-C48 CovalentContact SG-SG 2.02Å; C23-C48 PolarHBondContact SG-SG 3.12Å; C48-G70 WeakPolarHBondContact CA-O 3.47Å; C48-C91 VanDerWaalsContact O-CA 3.29Å; C48-C91 WeakPolarHBondContact O-CA 3.03Å; C48-C92 PolarHBondContact N-O 2.85Å; C48-C92 PolarHBondContact O-N 3.48Å; C48-C97 VanDerWaalsContact SG-SG 3.62Å; C48-N98 HydrophobicContact CB-CB 3.86Å |
| 49 | V | 93.4 | Very high | 88.4 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.9 | -179.5 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | V51 K69 G70 P76 T89 H90 | V49-V51 HydrophobicContact CG1-CG2 3.9Å; V49-K69 CarbonylContact O-C 3.59Å; V49-K69 VanDerWaalsContact O-CA 3.23Å; V49-K69 WeakPolarHBondContact O-CA 3.44Å; V49-G70 PolarHBondContact N-O 3.39Å; V49-G70 PolarHBondContact O-N 2.83Å; V49-P76 HydrophobicContact CG1-CG 3.75Å; V49-T89 HydrophobicContact CG1-CG2 4.39Å; V49-H90 CarbonylContact C-O 3.52Å; V49-H90 WeakPolarHBondContact CA-O 3.49Å |
| 50 | T | 92.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.5 | 167.9 | -60.1 | 0 | 0 | 0 | 0 | 108 | L67 N68 K69 T89 H90 N98 | T50-L67 HydrophobicContact CG2-CD1 3.59Å; T50-N68 WeakPolarHBondContact CA-O 3.47Å; T50-K69 HydrophobicContact CG2-CG 4.05Å; T50-T89 CarbonylContact O-C 3.53Å; T50-T89 WeakPolarHBondContact O-CA 3.45Å; T50-H90 PolarHBondContact N-O 2.83Å; T50-H90 PolarHBondContact O-N 3.33Å; T50-N98 WeakPolarHBondContact OG1-CB 3.42Å |
| 51 | V | 91.3 | Very high | 86.2 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120 | 173.3 | -175 | 0 | 0 | 0 | 0 | 108.4 | V49 N68 V87 G88 T89 | V49-V51 HydrophobicContact CG1-CG2 3.9Å; V51-N68 HydrophobicContact CB-CB 4.44Å; V51-N68 PolarHBondContact N-O 3.04Å; V51-N68 PolarHBondContact O-N 3.48Å; V51-V87 HydrophobicContact CG1-CG1 3.89Å; V51-G88 CarbonylContact C-O 3.55Å; V51-G88 VanDerWaalsContact CA-O 3.27Å; V51-G88 WeakPolarHBondContact CA-O 3.48Å; V51-T89 HydrophobicContact CG2-CG2 4.49Å |
| 52 | S | 90.1 | Very high | 85.6 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.5 | 170.9 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | T66 V87 G88 | S52-T66 CarbonylContact C-O 3.57Å; S52-T66 VanDerWaalsContact CA-O 3.29Å; S52-T66 WeakPolarHBondContact CA-O 3.29Å; S52-V87 CarbonylContact O-C 3.48Å; S52-V87 WeakPolarHBondContact O-CA 3.44Å; S52-G88 PolarHBondContact N-O 2.85Å; S52-G88 PolarHBondContact O-N 2.84Å |
| 53 | A | 88.3 | Confident | 85 | Confident | 36 Ų | 36 | 65.5 Ų | 65.5 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 127.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y65 T66 S86 V87 | A53-Y65 CarbonylContact O-C 3.6Å; A53-Y65 WeakPolarHBondContact O-CA 2.97Å; A53-T66 PolarHBondContact N-O 3.49Å; A53-T66 PolarHBondContact O-N 3.46Å; A53-S86 CarbonylContact C-O 3.51Å; A53-S86 VanDerWaalsContact CA-O 3.31Å; A53-S86 WeakPolarHBondContact CA-O 3.39Å; A53-V87 HydrophobicContact CB-CG2 4.26Å |
| 54 | S | 88 | Confident | 84.7 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.7 | 169.9 | 36.6 | 0 | 0 | 0 | 0 | 109.8 | G64 A85 S86 | S54-G64 VanDerWaalsContact CA-O 3.31Å; S54-G64 WeakPolarHBondContact CA-O 3.35Å; S54-A85 CarbonylContact O-C 3.52Å; S54-A85 WeakPolarHBondContact O-CA 3.49Å; S54-S86 PolarHBondContact N-O 2.99Å; S54-S86 PolarHBondContact O-N 3.13Å; S54-S86 PolarHBondContact OG-OG 3Å |
| 55 | A | 85.4 | Confident | 84.7 | Confident | 32 Ų | 32 | 61 Ų | 61 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 138.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F63 G64 V84 A85 | A55-F63 HydrophobicContact CB-CB 3.86Å; A55-F63 WeakPolarHBondContact O-CA 3.43Å; A55-F63 WeakPolarHBondContact O-CB 3.32Å; A55-F63 PolarHBondContact O-N 3.47Å; A55-G64 PolarHBondContact N-O 3.41Å; A55-G64 PolarHBondContact O-N 2.95Å; A55-V84 CarbonylContact C-O 3.6Å; A55-V84 WeakPolarHBondContact CA-O 3.47Å; A55-V84 WeakPolarHBondContact CB-O 3.48Å; A55-A85 HydrophobicContact CB-CB 4.3Å |
| 56 | G | 83.3 | Confident | 84.6 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 163.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V61 V84 | G56-V61 CarbonylContact C-O 3.44Å; G56-V61 WeakPolarHBondContact CA-O 3.4Å; G56-V84 PolarHBondContact N-O 3.09Å; G56-V84 CarbonylContact O-C 3.57Å; G56-V84 VanDerWaalsContact O-CA 3.3Å; G56-V84 WeakPolarHBondContact O-CA 3.37Å |
| 57 | I | 77.9 | Confident | 84.7 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 104.3 | 173.3 | -63.9 | 158.4 | 0 | 0 | 0 | 106.8 | V60 V61 F63 V84 | I57-V60 HydrophobicContact CG2-CG2 4.41Å; I57-V60 WeakPolarHBondContact O-CG2 3.13Å; I57-V60 PolarHBondContact O-N 3.38Å; I57-V61 HydrophobicContact CB-CB 4.34Å; I57-V61 PolarHBondContact N-O 3.02Å; I57-V61 PolarHBondContact O-N 3.48Å; I57-F63 HydrophobicContact CD1-CE2 3.66Å; I57-F63 HydrophobicContact CD1-CZ 3.91Å; I57-F63 HydrophobicContact CG1-CE2 3.87Å; I57-V84 HydrophobicContact CG1-CG1 4.17Å |
| 58 | G | 69.7 | Low | 84.7 | Confident | 68 Ų | 68 | 57 Ų | 57 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | -143.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V60 | G58-V60 VanDerWaalsContact C-N 3.34Š|
| 59 | N | 68.8 | Low | 84.8 | Confident | 179 Ų | 179 | 57.7 Ų | 57.7 | 96% | 0.957 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 11.9 | 174.2 | -64.3 | -42 | 0 | 0 | 0 | 113 | ||
| 60 | V | 69.5 | Low | 84.8 | Confident | 124 Ų | 124 | 58 Ų | 58 | 75% | 0.752 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -28.5 | -170.5 | -72.3 | 0 | 0 | 0 | 0 | 113.5 | I57 G58 | I57-V60 HydrophobicContact CG2-CG2 4.41Å; I57-V60 WeakPolarHBondContact O-CG2 3.13Å; I57-V60 PolarHBondContact O-N 3.38Å; G58-V60 VanDerWaalsContact C-N 3.34Å |
| 61 | V | 76.7 | Confident | 84.9 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 122.7 | 179.5 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | G56 I57 F63 | G56-V61 CarbonylContact C-O 3.44Å; G56-V61 WeakPolarHBondContact CA-O 3.4Å; I57-V61 HydrophobicContact CB-CB 4.34Å; I57-V61 PolarHBondContact N-O 3.02Å; I57-V61 PolarHBondContact O-N 3.48Å; V61-F63 HydrophobicContact CB-CE2 4.48Å; V61-F63 HydrophobicContact CB-CZ 4.42Å; V61-F63 HydrophobicContact CG1-CD1 4.14Å; V61-F63 HydrophobicContact CG1-CD2 4.37Å; V61-F63 HydrophobicContact CG1-CE1 3.66Å; V61-F63 HydrophobicContact CG1-CE2 3.92Å; V61-F63 HydrophobicContact CG1-CG 4.48Å; V61-F63 HydrophobicContact CG1-CZ 3.54Å |
| 62 | D | 81.6 | Confident | 85.1 | Confident | 127 Ų | 127 | 58.5 Ų | 58.5 | 68% | 0.679 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.4 | 171.1 | -176.6 | 7.7 | 0 | 0 | 0 | 109.1 | G64 | D62-G64 WeakPolarHBondContact OD1-CA 3.47Å; D62-G64 PolarHBondContact OD1-N 2.88Å |
| 63 | F | 80.1 | Confident | 85.2 | Confident | 126 Ų | 126 | 60.4 Ų | 60.4 | 55% | 0.553 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -1.7 | 175.9 | -64.6 | -65.2 | 0 | 0 | 0 | 112.5 | A55 I57 V61 V84 | A55-F63 HydrophobicContact CB-CB 3.86Å; A55-F63 WeakPolarHBondContact O-CA 3.43Å; A55-F63 WeakPolarHBondContact O-CB 3.32Å; A55-F63 PolarHBondContact O-N 3.47Å; I57-F63 HydrophobicContact CD1-CE2 3.66Å; I57-F63 HydrophobicContact CD1-CZ 3.91Å; I57-F63 HydrophobicContact CG1-CE2 3.87Å; V61-F63 HydrophobicContact CB-CE2 4.48Å; V61-F63 HydrophobicContact CB-CZ 4.42Å; V61-F63 HydrophobicContact CG1-CD1 4.14Å; V61-F63 HydrophobicContact CG1-CD2 4.37Å; V61-F63 HydrophobicContact CG1-CE1 3.66Å; V61-F63 HydrophobicContact CG1-CE2 3.92Å; V61-F63 HydrophobicContact CG1-CG 4.48Å; V61-F63 HydrophobicContact CG1-CZ 3.54Å; F63-V84 HydrophobicContact CE2-CG1 4.5Å |
| 64 | G | 84 | Confident | 85.3 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.1 | 160.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S54 A55 D62 | S54-G64 VanDerWaalsContact CA-O 3.31Å; S54-G64 WeakPolarHBondContact CA-O 3.35Å; A55-G64 PolarHBondContact N-O 3.41Å; A55-G64 PolarHBondContact O-N 2.95Å; D62-G64 WeakPolarHBondContact OD1-CA 3.47Å; D62-G64 PolarHBondContact OD1-N 2.88Å |
| 65 | Y | 88.9 | Confident | 85.3 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.8 | 175.7 | 171.8 | -95.7 | 0 | 0 | 0 | 110.6 | N30 A53 L67 | N30-Y65 VanDerWaalsContact O-CD1 3.26Å; N30-Y65 WeakPolarHBondContact O-CD1 3.47Å; N30-Y65 WeakPolarHBondContact O-CE1 3.23Å; A53-Y65 CarbonylContact O-C 3.6Å; A53-Y65 WeakPolarHBondContact O-CA 2.97Å; Y65-L67 HydrophobicContact CE1-CB 3.96Å |
| 66 | T | 90.7 | Very high | 85 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 27% | 0.27 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.4 | 179.8 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | N28 K29 S52 A53 | N28-T66 HydrophobicContact CB-CG2 4.31Å; N28-T66 WeakPolarHBondContact ND2-CG2 3.46Å; K29-T66 CarbonylContact O-C 3.46Å; S52-T66 CarbonylContact C-O 3.57Å; S52-T66 VanDerWaalsContact CA-O 3.29Å; S52-T66 WeakPolarHBondContact CA-O 3.29Å; A53-T66 PolarHBondContact N-O 3.49Å; A53-T66 PolarHBondContact O-N 3.46Å |
| 67 | L | 91.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.9 | 177.5 | -176.8 | 65.8 | 0 | 0 | 0 | 109.8 | C26 N28 K29 N32 C35 T50 Y65 A101 | C26-L67 PolarHBondContact SG-O 2.91Å; C26-L67 VanDerWaalsContact SG-O 3.41Å; N28-L67 PolarHBondContact N-O 3.31Å; K29-L67 PolarHBondContact N-O 3.3Å; K29-L67 WeakPolarHBondContact O-CA 3.04Å; K29-L67 WeakPolarHBondContact O-CB 3.23Å; K29-L67 PolarHBondContact O-N 3.42Å; N32-L67 HydrophobicContact CB-CD2 4.27Å; C35-L67 HydrophobicContact CB-CD2 3.92Å; T50-L67 HydrophobicContact CG2-CD1 3.59Å; Y65-L67 HydrophobicContact CE1-CB 3.96Å; L67-A101 HydrophobicContact CD1-CB 4.14Å; L67-A101 HydrophobicContact CD2-CB 4.28Å |
| 68 | N | 92.9 | Very high | 84.1 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.9 | 173.9 | -77.1 | 44.9 | 0 | 0 | 0 | 109 | C26 N28 T50 V51 | C26-N68 WeakPolarHBondContact O-CA 3.22Å; N28-N68 PolarHBondContact N-OD1 2.93Å; T50-N68 WeakPolarHBondContact CA-O 3.47Å; V51-N68 HydrophobicContact CB-CB 4.44Å; V51-N68 PolarHBondContact N-O 3.04Å; V51-N68 PolarHBondContact O-N 3.48Å |
| 69 | K | 94.8 | Very high | 84.4 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 6% | 0.057 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.8 | 173.1 | -66.3 | -176.4 | -169.2 | 174.5 | 0 | 110.3 | F24 S25 C26 N32 C35 V49 T50 N98 I99 | F24-K69 HydrophobicContact CB-CD 4.02Å; F24-K69 VanDerWaalsContact O-CB 3.22Å; F24-K69 WeakPolarHBondContact O-CB 3.02Å; S25-K69 VanDerWaalsContact CA-O 3.27Å; S25-K69 WeakPolarHBondContact CA-O 3.46Å; C26-K69 PolarHBondContact N-O 3.39Å; C26-K69 PolarHBondContact O-N 3.06Å; N32-K69 PolarHBondContact ND2-NZ 2.98Å; C35-K69 PolarHBondContact O-NZ 3.45Å; C35-K69 VanDerWaalsContact O-NZ 3.1Å; C35-K69 WeakPolarHBondContact SG-CD 3.27Å; C35-K69 WeakPolarHBondContact SG-CG 3.42Å; V49-K69 CarbonylContact O-C 3.59Å; V49-K69 VanDerWaalsContact O-CA 3.23Å; V49-K69 WeakPolarHBondContact O-CA 3.44Å; T50-K69 HydrophobicContact CG2-CG 4.05Å; K69-N98 WeakPolarHBondContact CD-O 3.22Å; K69-N98 VanDerWaalsContact CE-O 3.24Å; K69-N98 WeakPolarHBondContact CE-O 3.18Å; K69-N98 PolarHBondContact NZ-O 2.96Å; K69-I99 PolarHBondContact NZ-O 3.48Å |
| 70 | G | 94.6 | Very high | 84.7 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 19% | 0.186 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | -169.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | C48 V49 | C48-G70 WeakPolarHBondContact CA-O 3.47Å; V49-G70 PolarHBondContact N-O 3.39Å; V49-G70 PolarHBondContact O-N 2.83Å |
| 71 | C | 94.9 | Very high | 84.8 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 25% | 0.25 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 149.4 | 174.6 | -51 | 0 | 0 | 0 | 0 | 109.5 | C41 D45 Y47 | C41-C71 WeakPolarHBondContact CA-SG 3.31Å; C41-C71 HydrophobicContact CB-CB 3.5Å; C41-C71 VanDerWaalsContact CB-CB 3.5Å; C41-C71 WeakPolarHBondContact CB-SG 3.43Å; C41-C71 WeakPolarHBondContact SG-CB 3.45Å; C41-C71 CovalentContact SG-SG 2.03Å; C41-C71 PolarHBondContact SG-SG 2.96Å; D45-C71 HydrophobicContact CB-CB 3.91Å; D45-C71 VanDerWaalsContact OD2-CB 3.27Å; D45-C71 WeakPolarHBondContact OD2-CB 3.35Å; Y47-C71 CarbonylContact O-C 3.32Å; Y47-C71 WeakPolarHBondContact O-CA 3.31Å |
| 72 | S | 94 | Very high | 84.7 | Confident | 24 Ų | 24 | 70 Ų | 70 | 17% | 0.168 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 147.1 | 175 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | N46 Y47 I74 | N46-S72 PolarHBondContact N-O 2.03Å; N46-S72 VanDerWaalsContact N-O 3.17Å; Y47-S72 PolarHBondContact N-O 3.02Å; Y47-S72 PolarHBondContact O-N 3.45Å; S72-I74 VanDerWaalsContact C-N 3.26Å; S72-I74 VanDerWaalsContact CB-O 3.23Å; S72-I74 WeakPolarHBondContact CB-O 3.41Å; S72-I74 PolarHBondContact OG-N 2.83Å; S72-I74 PolarHBondContact OG-O 2.96Å |
| 73 | P | 92.4 | Very high | 84.1 | Confident | 65 Ų | 65 | 67 Ų | 67 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -71 | -26.1 | 172.4 | 29.7 | -35 | 0 | 0 | 0 | 112.1 | S44 D45 Y47 | S44-P73 WeakPolarHBondContact O-CA 3.3Å; S44-P73 VanDerWaalsContact O-CB 3.31Å; S44-P73 WeakPolarHBondContact O-CB 3.37Å; D45-P73 VanDerWaalsContact OD1-CD 3.27Å; D45-P73 WeakPolarHBondContact OD1-CD 3.45Å; Y47-P73 WeakPolarHBondContact CD2-O 3.38Å; Y47-P73 WeakPolarHBondContact CE2-O 3.45Å |
| 74 | I | 90.6 | Very high | 83.8 | Confident | 121 Ų | 121 | 64.9 Ų | 64.9 | 62% | 0.621 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -127.9 | 149.2 | -179.5 | 59.6 | 170.9 | 0 | 0 | 0 | 110.9 | S72 P76 | S72-I74 VanDerWaalsContact C-N 3.26Å; S72-I74 VanDerWaalsContact CB-O 3.23Å; S72-I74 WeakPolarHBondContact CB-O 3.41Å; S72-I74 PolarHBondContact OG-N 2.83Å; S72-I74 PolarHBondContact OG-O 2.96Å; I74-P76 VanDerWaalsContact O-CD 3.28Å; I74-P76 WeakPolarHBondContact O-CD 3.41Å |
| 75 | C | 88.6 | Confident | 83.6 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 116.8 | 169.3 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | Y47 C91 | Y47-C75 HydrophobicContact CD1-CB 4.32Å; Y47-C75 HydrophobicContact CG-CB 4.46Å; C75-C91 WeakPolarHBondContact CA-SG 3.24Å; C75-C91 HydrophobicContact CB-CB 3.67Å; C75-C91 WeakPolarHBondContact CB-SG 3.27Å; C75-C91 WeakPolarHBondContact SG-CB 3.48Å; C75-C91 CovalentContact SG-SG 2.03Å; C75-C91 PolarHBondContact SG-SG 3.22Å |
| 76 | P | 78.2 | Confident | 83.3 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 155.9 | 174.6 | 20.2 | -24.7 | 0 | 0 | 0 | 111.2 | V49 I74 T89 | V49-P76 HydrophobicContact CG1-CG 3.75Å; I74-P76 VanDerWaalsContact O-CD 3.28Å; I74-P76 WeakPolarHBondContact O-CD 3.41Å; P76-T89 HydrophobicContact CB-CG2 4.41Å; P76-T89 HydrophobicContact CG-CG2 3.86Å |
| 77 | G | 72.6 | Confident | 83 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 172.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | T89 | G77-T89 WeakPolarHBondContact O-CB 3.41Å; G77-T89 PolarHBondContact O-OG1 3.08Å |
| 78 | P | 70.2 | Confident | 82.8 | Confident | 113 Ų | 113 | 64.4 Ų | 64.4 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -64 | 164.2 | -166.9 | 27.8 | -35.3 | 0 | 0 | 0 | 113.1 | V80 | P78-V80 PolarHBondContact O-N 2.01Š|
| 79 | S | 75.7 | Confident | 82.6 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 54% | 0.538 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -57 | 134.2 | 172.3 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | V87 | S79-V87 CarbonylContact C-O 3.41Å; S79-V87 WeakPolarHBondContact CA-O 3.47Å; S79-V87 WeakPolarHBondContact CB-O 3.28Å |
| 80 | V | 76.4 | Confident | 82.3 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.9 | 178.2 | -65.8 | 0 | 0 | 0 | 0 | 109.3 | P78 S86 V87 | P78-V80 PolarHBondContact O-N 2.01Å; V80-S86 CarbonylContact O-C 3.51Å; V80-S86 WeakPolarHBondContact O-CA 3.36Å; V80-V87 HydrophobicContact CG2-CB 3.8Å; V80-V87 HydrophobicContact CG2-CG2 4.16Å; V80-V87 PolarHBondContact N-O 3.08Å; V80-V87 PolarHBondContact O-N 3.09Å |
| 81 | N | 71.4 | Confident | 82.1 | Confident | 122 Ų | 122 | 65.7 Ų | 65.7 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.2 | 174.1 | -167.9 | -36.2 | 0 | 0 | 0 | 108.9 | G83 | N81-G83 PolarHBondContact OD1-N 3.28Å |
| 82 | L | 73.2 | Confident | 81.9 | Confident | 154 Ų | 154 | 65 Ų | 65 | 81% | 0.806 | 42% | 0.422 | S | S | * | . | trans | -112.8 | 34.5 | -177.6 | -154.9 | 68.8 | 0 | 0 | 0 | 110.8 | V84 A85 | L82-V84 PolarHBondContact O-N 3.02Å; L82-A85 PolarHBondContact N-O 3.17Å | ||
| 83 | G | 71 | Confident | 81.7 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 65% | 0.649 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 72 | -53 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | N81 | N81-G83 PolarHBondContact OD1-N 3.28Š|
| 84 | V | 73.6 | Confident | 81.5 | Confident | 81 Ų | 81 | 70 Ų | 70 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -93.8 | -19.2 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | A55 G56 I57 F63 L82 | A55-V84 CarbonylContact C-O 3.6Å; A55-V84 WeakPolarHBondContact CA-O 3.47Å; A55-V84 WeakPolarHBondContact CB-O 3.48Å; G56-V84 PolarHBondContact N-O 3.09Å; G56-V84 CarbonylContact O-C 3.57Å; G56-V84 VanDerWaalsContact O-CA 3.3Å; G56-V84 WeakPolarHBondContact O-CA 3.37Å; I57-V84 HydrophobicContact CG1-CG1 4.17Å; F63-V84 HydrophobicContact CE2-CG1 4.5Å; L82-V84 PolarHBondContact O-N 3.02Å |
| 85 | A | 78.9 | Confident | 81.4 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 37% | 0.372 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S54 A55 L82 | S54-A85 CarbonylContact O-C 3.52Å; S54-A85 WeakPolarHBondContact O-CA 3.49Å; A55-A85 HydrophobicContact CB-CB 4.3Å; L82-A85 PolarHBondContact N-O 3.17Å |
| 86 | S | 82.8 | Confident | 81.6 | Confident | 33 Ų | 33 | 70 Ų | 70 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.5 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | A53 S54 V80 | A53-S86 CarbonylContact C-O 3.51Å; A53-S86 VanDerWaalsContact CA-O 3.31Å; A53-S86 WeakPolarHBondContact CA-O 3.39Å; S54-S86 PolarHBondContact N-O 2.99Å; S54-S86 PolarHBondContact O-N 3.13Å; S54-S86 PolarHBondContact OG-OG 3Å; V80-S86 CarbonylContact O-C 3.51Å; V80-S86 WeakPolarHBondContact O-CA 3.36Å |
| 87 | V | 85.1 | Confident | 82.2 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 30% | 0.297 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.5 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | V51 S52 A53 S79 V80 | V51-V87 HydrophobicContact CG1-CG1 3.89Å; S52-V87 CarbonylContact O-C 3.48Å; S52-V87 WeakPolarHBondContact O-CA 3.44Å; A53-V87 HydrophobicContact CB-CG2 4.26Å; S79-V87 CarbonylContact C-O 3.41Å; S79-V87 WeakPolarHBondContact CA-O 3.47Å; S79-V87 WeakPolarHBondContact CB-O 3.28Å; V80-V87 HydrophobicContact CG2-CB 3.8Å; V80-V87 HydrophobicContact CG2-CG2 4.16Å; V80-V87 PolarHBondContact N-O 3.08Å; V80-V87 PolarHBondContact O-N 3.09Å |
| 88 | G | 86.2 | Confident | 83.2 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V51 S52 | V51-G88 CarbonylContact C-O 3.55Å; V51-G88 VanDerWaalsContact CA-O 3.27Å; V51-G88 WeakPolarHBondContact CA-O 3.48Å; S52-G88 PolarHBondContact N-O 2.85Å; S52-G88 PolarHBondContact O-N 2.84Å |
| 89 | T | 89.3 | Confident | 84.1 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 18% | 0.184 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125 | 173.8 | -55.9 | 0 | 0 | 0 | 0 | 108.6 | V49 T50 V51 P76 G77 | V49-T89 HydrophobicContact CG1-CG2 4.39Å; T50-T89 CarbonylContact O-C 3.53Å; T50-T89 WeakPolarHBondContact O-CA 3.45Å; V51-T89 HydrophobicContact CG2-CG2 4.49Å; P76-T89 HydrophobicContact CB-CG2 4.41Å; P76-T89 HydrophobicContact CG-CG2 3.86Å; G77-T89 WeakPolarHBondContact O-CB 3.41Å; G77-T89 PolarHBondContact O-OG1 3.08Å |
| 90 | H | 88.4 | Confident | 84.4 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 25% | 0.25 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.5 | 177.3 | 176.5 | -90.8 | 0 | 0 | 0 | 110.6 | V49 T50 D103 | V49-H90 CarbonylContact C-O 3.52Å; V49-H90 WeakPolarHBondContact CA-O 3.49Å; T50-H90 PolarHBondContact N-O 2.83Å; T50-H90 PolarHBondContact O-N 3.33Å; H90-D103 IonicContact CD2-OD1 3.12Å; H90-D103 PolarHBondContact CD2-OD1 3.46Å; H90-D103 IonicContact CG-OD1 3.94Å |
| 91 | C | 90.8 | Very high | 83.8 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.8 | -178.6 | -56 | 0 | 0 | 0 | 0 | 111.7 | Y47 C48 C75 | Y47-C91 HydrophobicContact CD1-CB 4.2Å; C48-C91 VanDerWaalsContact O-CA 3.29Å; C48-C91 WeakPolarHBondContact O-CA 3.03Å; C75-C91 WeakPolarHBondContact CA-SG 3.24Å; C75-C91 HydrophobicContact CB-CB 3.67Å; C75-C91 WeakPolarHBondContact CB-SG 3.27Å; C75-C91 WeakPolarHBondContact SG-CB 3.48Å; C75-C91 CovalentContact SG-SG 2.03Å; C75-C91 PolarHBondContact SG-SG 3.22Å |
| 92 | C | 90.1 | Very high | 83.1 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 162 | 175.1 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | Y47 C48 C97 | Y47-C92 CarbonylContact C-O 3.53Å; Y47-C92 WeakPolarHBondContact CA-O 2.94Å; C48-C92 PolarHBondContact N-O 2.85Å; C48-C92 PolarHBondContact O-N 3.48Å; C92-C97 HydrophobicContact CB-CB 3.78Å; C92-C97 WeakPolarHBondContact CB-SG 3.02Å; C92-C97 WeakPolarHBondContact SG-CB 3.39Å; C92-C97 CovalentContact SG-SG 2.01Å; C92-C97 PolarHBondContact SG-SG 2.78Å |
| 93 | Q | 89.8 | Confident | 82 | Confident | 113 Ų | 113 | 58.2 Ų | 58.2 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | trans | -121.9 | 15.7 | -168.4 | -52 | -171.4 | -83.6 | 0 | 0 | 113.8 | N46 Y47 | N46-Q93 VanDerWaalsContact O-CG 3.26Å; N46-Q93 WeakPolarHBondContact O-CG 3.46Å; N46-Q93 PolarHBondContact O-NE2 2.78Å; N46-Q93 VanDerWaalsContact O-NE2 3.16Å; Y47-Q93 HydrophobicContact CD1-CG 3.49Å; Y47-Q93 VanDerWaalsContact CD1-CG 3.49Å; Y47-Q93 HydrophobicContact CE1-CG 3.53Å; Y47-Q93 HydrophobicContact CG-CG 4.37Å; Y47-Q93 VanDerWaalsContact CZ-NE2 3.26Å; Y47-Q93 PolarHBondContact OH-NE2 3.05Å | ||
| 94 | S | 87.8 | Confident | 81 | Confident | 80 Ų | 80 | 58.5 Ų | 58.5 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -108 | 155.7 | -178.7 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | L96 C97 | S94-L96 PolarHBondContact O-N 2.82Å; S94-L96 VanDerWaalsContact O-N 3.17Å; S94-C97 VanDerWaalsContact O-CB 3.23Å; S94-C97 WeakPolarHBondContact O-CB 3.3Å; S94-C97 PolarHBondContact O-N 2.87Å; S94-C97 VanDerWaalsContact O-N 3.08Å; S94-C97 PolarHBondContact O-SG 3.3Å |
| 95 | F | 90.1 | Very high | 79.8 | Confident | 140 Ų | 140 | 57.2 Ų | 57.2 | 61% | 0.614 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 121.7 | 176.6 | -175.6 | -92.8 | 0 | 0 | 0 | 111.5 | V22 C97 | V22-F95 HydrophobicContact CB-CD2 3.64Å; V22-F95 HydrophobicContact CB-CE2 3.42Å; V22-F95 VanDerWaalsContact CB-CE2 3.42Å; V22-F95 HydrophobicContact CB-CZ 4.26Å; V22-F95 HydrophobicContact CG1-CE2 4.03Å; V22-F95 HydrophobicContact CG1-CZ 4.43Å; V22-F95 HydrophobicContact CG2-CD2 3.91Å; V22-F95 HydrophobicContact CG2-CE2 3.52Å; F95-C97 PolarHBondContact O-N 3.12Å; F95-C97 VanDerWaalsContact O-N 3.09Å |
| 96 | L | 92.4 | Very high | 78.2 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 22% | 0.22 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 27.5 | 179.8 | -60.3 | 179.9 | 0 | 0 | 0 | 114.5 | V22 F24 P38 S94 N98 I99 | V22-L96 HydrophobicContact CG1-CD2 3.88Å; V22-L96 PolarHBondContact O-N 3.31Å; F24-L96 HydrophobicContact CD1-CD2 4.18Å; F24-L96 HydrophobicContact CD2-CB 4.32Å; F24-L96 HydrophobicContact CD2-CD2 4.17Å; F24-L96 HydrophobicContact CE1-CD2 4.02Å; F24-L96 HydrophobicContact CE2-CB 3.73Å; F24-L96 HydrophobicContact CE2-CD1 4.43Å; F24-L96 HydrophobicContact CE2-CD2 3.98Å; F24-L96 HydrophobicContact CE2-CG 4.26Å; F24-L96 HydrophobicContact CG-CD2 4.29Å; F24-L96 HydrophobicContact CZ-CB 4.15Å; F24-L96 HydrophobicContact CZ-CD1 3.99Å; F24-L96 HydrophobicContact CZ-CD2 3.92Å; F24-L96 HydrophobicContact CZ-CG 4.25Å; P38-L96 HydrophobicContact CB-CD2 4.13Å; S94-L96 PolarHBondContact O-N 2.82Å; S94-L96 VanDerWaalsContact O-N 3.17Å; L96-N98 PolarHBondContact O-N 2.82Å; L96-I99 PolarHBondContact O-N 2.82Å |
| 97 | C | 91.3 | Very high | 76.6 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 26% | 0.257 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -65.6 | -24.1 | -175.1 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | C48 C92 S94 F95 I99 | C48-C97 VanDerWaalsContact SG-SG 3.62Å; C92-C97 HydrophobicContact CB-CB 3.78Å; C92-C97 WeakPolarHBondContact CB-SG 3.02Å; C92-C97 WeakPolarHBondContact SG-CB 3.39Å; C92-C97 CovalentContact SG-SG 2.01Å; C92-C97 PolarHBondContact SG-SG 2.78Å; S94-C97 VanDerWaalsContact O-CB 3.23Å; S94-C97 WeakPolarHBondContact O-CB 3.3Å; S94-C97 PolarHBondContact O-N 2.87Å; S94-C97 VanDerWaalsContact O-N 3.08Å; S94-C97 PolarHBondContact O-SG 3.3Å; F95-C97 PolarHBondContact O-N 3.12Å; F95-C97 VanDerWaalsContact O-N 3.09Å; C97-I99 PolarHBondContact O-N 2.92Å; C97-I99 VanDerWaalsContact O-N 3.12Å |
| 98 | N | 92.3 | Very high | 75 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -84.2 | 31.8 | 178.2 | 71.6 | -24.3 | 0 | 0 | 0 | 113 | F24 C48 T50 K69 L96 | F24-N98 WeakPolarHBondContact CB-OD1 3.07Å; F24-N98 PolarHBondContact N-OD1 2.66Å; F24-N98 PolarHBondContact O-ND2 3Å; C48-N98 HydrophobicContact CB-CB 3.86Å; T50-N98 WeakPolarHBondContact OG1-CB 3.42Å; K69-N98 WeakPolarHBondContact CD-O 3.22Å; K69-N98 VanDerWaalsContact CE-O 3.24Å; K69-N98 WeakPolarHBondContact CE-O 3.18Å; K69-N98 PolarHBondContact NZ-O 2.96Å; L96-N98 PolarHBondContact O-N 2.82Å |
| 99 | I | 90.4 | Very high | 73.6 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 45% | 0.446 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -59.8 | -46.9 | 176.1 | -167.7 | 166.9 | 0 | 0 | 0 | 110.8 | F24 N32 L36 K69 L96 C97 | F24-I99 HydrophobicContact CD2-CB 4.17Å; F24-I99 HydrophobicContact CE2-CB 3.7Å; F24-I99 HydrophobicContact CE2-CD1 4.3Å; F24-I99 HydrophobicContact CE2-CG1 3.81Å; F24-I99 HydrophobicContact CZ-CG1 4.42Å; N32-I99 PolarHBondContact ND2-O 3.1Å; N32-I99 PolarHBondContact OD1-O 2.99Å; N32-I99 VanDerWaalsContact OD1-O 3.07Å; L36-I99 HydrophobicContact CD2-CG1 3.93Å; K69-I99 PolarHBondContact NZ-O 3.48Å; L96-I99 PolarHBondContact O-N 2.82Å; C97-I99 PolarHBondContact O-N 2.92Å; C97-I99 VanDerWaalsContact O-N 3.12Å |
| 100 | S | 81 | Confident | 72.4 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 40% | 0.399 | 47% | 0.47 | S | S | . | . | trans | -93.5 | 147.6 | -179.6 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 101 | A | 64.6 | Low | 71.3 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 29% | 0.289 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -86.3 | -13.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N32 L67 | N32-A101 PolarHBondContact ND2-N 2.79Å; L67-A101 HydrophobicContact CD1-CB 4.14Å; L67-A101 HydrophobicContact CD2-CB 4.28Å |
| 102 | A | 55.5 | Low | 70.4 | Confident | 68 Ų | 68 | 82 Ų | 82 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -86.8 | 131.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G104 | A102-G104 PolarHBondContact O-N 2.8Š|
| 103 | D | 51 | Low | 69.6 | Low | 131 Ų | 131 | 86 Ų | 86 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -49.4 | 123.4 | 159.4 | -80.7 | -55.6 | 0 | 0 | 0 | 109 | H90 | H90-D103 IonicContact CD2-OD1 3.12Å; H90-D103 PolarHBondContact CD2-OD1 3.46Å; H90-D103 IonicContact CG-OD1 3.94Å |
| 104 | G | 49.3 | Very low | 68.9 | Low | 70 Ų | 70 | 82 Ų | 82 | 72% | 0.722 | 51% | 0.513 | S | S | * | . | trans | 111.9 | 44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A102 | A102-G104 PolarHBondContact O-N 2.8Š| ||
| 105 | G | 47.8 | Very low | 68.5 | Low | 53 Ų | 53 | 83.2 Ų | 83.2 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | trans | -53.8 | 141.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R107 | G105-R107 PolarHBondContact O-N 3.12Š| ||
| 106 | L | 46.4 | Very low | 68.1 | Low | 173 Ų | 173 | 78.5 Ų | 78.5 | 91% | 0.906 | 50% | 0.504 | S | S | * | . | trans | -54.9 | 101.7 | 174.5 | -128.6 | 78.5 | 0 | 0 | 0 | 107.9 | A108 | L106-A108 PolarHBondContact O-N 2.99Š| ||
| 107 | R | 49.6 | Very low | 67.5 | Low | 231 Ų | 231 | 82 Ų | 82 | 87% | 0.872 | 52% | 0.522 | S | S | * | . | trans | -76.2 | 72 | 177.1 | -167.5 | 171.8 | 156.8 | -124.8 | -4.3 | 106.9 | G105 S109 | G105-R107 PolarHBondContact O-N 3.12Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 3.04Å | ||
| 108 | A | 51.3 | Low | 67 | Low | 67 Ų | 67 | 85.5 Ų | 85.5 | 55% | 0.554 | 54% | 0.538 | S | S | * | . | trans | -63.5 | 101.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | L106 A110 L113 | L106-A108 PolarHBondContact O-N 2.99Å; A108-A110 PolarHBondContact O-N 3.41Å; A108-L113 HydrophobicContact CB-CD1 4.45Å | ||
| 109 | S | 57.1 | Low | 66.5 | Low | 58 Ų | 58 | 90.5 Ų | 90.5 | 41% | 0.406 | 56% | 0.564 | S | S | . | * | trans | -57.3 | 116.1 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 108.5 | R107 A111 V112 L113 | R107-S109 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 3.04Å; S109-A111 PolarHBondContact O-N 3Å; S109-V112 WeakPolarHBondContact O-CB 3.2Å; S109-V112 PolarHBondContact O-N 2.73Å; S109-L113 PolarHBondContact O-N 2.78Å | ||
| 110 | A | 63.8 | Low | 65.9 | Low | 83 Ų | 83 | 89.8 Ų | 89.8 | 69% | 0.686 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -52.1 | -30.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A108 V112 L113 G114 | A108-A110 PolarHBondContact O-N 3.41Å; A110-V112 PolarHBondContact O-N 3.41Å; A110-L113 PolarHBondContact O-N 2Å; A110-G114 PolarHBondContact O-N 2.83Å |
| 111 | A | 65.3 | Low | 65.8 | Low | 69 Ų | 69 | 91.1 Ų | 91.1 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.7 | -38.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S109 L115 | S109-A111 PolarHBondContact O-N 3Å; A111-L115 WeakPolarHBondContact O-CB 3.31Å; A111-L115 WeakPolarHBondContact O-CD1 3.42Å; A111-L115 PolarHBondContact O-N 3.07Å |
| 112 | V | 71.1 | Confident | 66.6 | Low | 102 Ų | 102 | 94.4 Ų | 94.4 | 62% | 0.618 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.4 | -42.6 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | S109 A110 G114 L115 G116 | S109-V112 WeakPolarHBondContact O-CB 3.2Å; S109-V112 PolarHBondContact O-N 2.73Å; A110-V112 PolarHBondContact O-N 3.41Å; V112-G114 VanDerWaalsContact C-N 3.34Å; V112-L115 PolarHBondContact O-N 2.76Å; V112-G116 PolarHBondContact O-N 2.77Å |
| 113 | L | 74.8 | Confident | 67.5 | Low | 110 Ų | 110 | 94.3 Ų | 94.3 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -41.1 | 174 | -65.2 | 175.4 | 0 | 0 | 0 | 111.3 | A108 S109 A110 G116 L117 | A108-L113 HydrophobicContact CB-CD1 4.45Å; S109-L113 PolarHBondContact O-N 2.78Å; A110-L113 PolarHBondContact O-N 2Å; L113-G116 PolarHBondContact O-N 2.97Å; L113-L117 PolarHBondContact O-N 3.1Å |
| 114 | G | 74.9 | Confident | 68.6 | Low | 27 Ų | 27 | 90.5 Ų | 90.5 | 28% | 0.278 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.7 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A110 V112 G116 L117 L118 | A110-G114 PolarHBondContact O-N 2.83Å; V112-G114 VanDerWaalsContact C-N 3.34Å; G114-G116 VanDerWaalsContact C-N 3.34Å; G114-G116 PolarHBondContact O-N 3.35Å; G114-L117 PolarHBondContact O-N 2.86Å; G114-L118 WeakPolarHBondContact O-CB 3.34Å; G114-L118 WeakPolarHBondContact O-CD1 3.3Å; G114-L118 WeakPolarHBondContact O-CG 3.29Å; G114-L118 PolarHBondContact O-N 2.84Å |
| 115 | L | 78.5 | Confident | 69.5 | Low | 107 Ų | 107 | 91.8 Ų | 91.8 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.3 | -42.5 | 174.8 | -110.2 | 94.2 | 0 | 0 | 0 | 111.7 | A111 V112 L118 L119 | A111-L115 WeakPolarHBondContact O-CB 3.31Å; A111-L115 WeakPolarHBondContact O-CD1 3.42Å; A111-L115 PolarHBondContact O-N 3.07Å; V112-L115 PolarHBondContact O-N 2.76Å; L115-L118 PolarHBondContact O-N 2.76Å; L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 WeakPolarHBondContact O-CD1 3.35Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 3.27Å |
| 116 | G | 80.8 | Confident | 70.6 | Confident | 40 Ų | 40 | 95.8 Ų | 95.8 | 41% | 0.412 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.4 | -44.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V112 L113 G114 S120 | V112-G116 PolarHBondContact O-N 2.77Å; L113-G116 PolarHBondContact O-N 2.97Å; G114-G116 VanDerWaalsContact C-N 3.34Å; G114-G116 PolarHBondContact O-N 3.35Å; G116-S120 WeakPolarHBondContact O-CB 3.26Å; G116-S120 PolarHBondContact O-N 3.27Å |
| 117 | L | 81.7 | Confident | 71.5 | Confident | 115 Ų | 115 | 98.3 Ų | 98.3 | 60% | 0.602 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.6 | -46 | 174.1 | -83.4 | 157.4 | 0 | 0 | 0 | 111.8 | L113 G114 L119 S120 L121 | L113-L117 PolarHBondContact O-N 3.1Å; G114-L117 PolarHBondContact O-N 2.86Å; L117-L119 PolarHBondContact O-N 3.33Å; L117-S120 PolarHBondContact O-N 3.28Å; L117-L121 WeakPolarHBondContact O-CD1 3.48Å; L117-L121 PolarHBondContact O-N 2.79Å |
| 118 | L | 80.2 | Confident | 71.8 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60 | -45.7 | 177.8 | -79.3 | 160.4 | 0 | 0 | 0 | 112.2 | G114 L115 L121 L122 | G114-L118 WeakPolarHBondContact O-CB 3.34Å; G114-L118 WeakPolarHBondContact O-CD1 3.3Å; G114-L118 WeakPolarHBondContact O-CG 3.29Å; G114-L118 PolarHBondContact O-N 2.84Å; L115-L118 PolarHBondContact O-N 2.76Å; L118-L121 PolarHBondContact O-N 2.78Å; L118-L122 VanDerWaalsContact O-CB 3.32Å; L118-L122 WeakPolarHBondContact O-CB 3.18Å; L118-L122 PolarHBondContact O-N 2.73Å |
| 119 | L | 81 | Confident | 71.9 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.5 | -39.8 | 178 | -75.6 | 161.3 | 0 | 0 | 0 | 111.8 | L115 L117 L122 S123 | L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 WeakPolarHBondContact O-CD1 3.35Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 3.27Å; L117-L119 PolarHBondContact O-N 3.33Å; L119-L122 PolarHBondContact O-N 2.73Å; L119-S123 WeakPolarHBondContact O-CB 3.31Å; L119-S123 PolarHBondContact O-N 2.83Å; L119-S123 PolarHBondContact O-OG 2.72Å |
| 120 | S | 78.4 | Confident | 71.7 | Confident | 73 Ų | 73 | 102.4 Ų | 102.4 | 51% | 0.51 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.3 | -44.4 | 176 | -177.7 | 0 | 0 | 0 | 0 | 112 | G116 L117 S123 A124 | G116-S120 WeakPolarHBondContact O-CB 3.26Å; G116-S120 PolarHBondContact O-N 3.27Å; L117-S120 PolarHBondContact O-N 3.28Å; S120-S123 WeakPolarHBondContact CA-OG 3.38Å; S120-S123 PolarHBondContact O-N 2.77Å; S120-S123 PolarHBondContact O-OG 3.5Å; S120-S123 VanDerWaalsContact O-OG 3.1Å; S120-A124 WeakPolarHBondContact O-CB 3.03Å; S120-A124 PolarHBondContact O-N 2.81Å |
| 121 | L | 79.1 | Confident | 72.1 | Confident | 85 Ų | 85 | 103.4 Ų | 103.4 | 45% | 0.445 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -41.2 | 175 | -91.9 | 86 | 0 | 0 | 0 | 111.9 | L117 L118 A124 L125 | L117-L121 WeakPolarHBondContact O-CD1 3.48Å; L117-L121 PolarHBondContact O-N 2.79Å; L118-L121 PolarHBondContact O-N 2.78Å; L121-A124 PolarHBondContact O-N 3.38Å; L121-L125 WeakPolarHBondContact O-CB 3.44Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.02Å; L121-L125 PolarHBondContact O-N 3.35Å |
| 122 | L | 80.1 | Confident | 72.4 | Confident | 103 Ų | 103 | 105.2 Ų | 105.2 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.2 | -40.6 | 179.8 | -169.7 | 67.2 | 0 | 0 | 0 | 112 | L118 L119 L125 L126 | L118-L122 VanDerWaalsContact O-CB 3.32Å; L118-L122 WeakPolarHBondContact O-CB 3.18Å; L118-L122 PolarHBondContact O-N 2.73Å; L119-L122 PolarHBondContact O-N 2.73Å; L122-L125 PolarHBondContact O-N 3.02Å; L122-L126 HydrophobicContact CG-CD1 4.37Å; L122-L126 WeakPolarHBondContact O-CG 3.45Å; L122-L126 PolarHBondContact O-N 2.77Å |
| 123 | S | 75.6 | Confident | 72.5 | Confident | 66 Ų | 66 | 105.3 Ų | 105.3 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71 | -34.8 | 176.9 | 41.7 | 0 | 0 | 0 | 0 | 112.7 | L119 S120 L126 R127 | L119-S123 WeakPolarHBondContact O-CB 3.31Å; L119-S123 PolarHBondContact O-N 2.83Å; L119-S123 PolarHBondContact O-OG 2.72Å; S120-S123 WeakPolarHBondContact CA-OG 3.38Å; S120-S123 PolarHBondContact O-N 2.77Å; S120-S123 PolarHBondContact O-OG 3.5Å; S120-S123 VanDerWaalsContact O-OG 3.1Å; S123-L126 PolarHBondContact O-N 2.91Å; S123-R127 PolarHBondContact O-N 3.31Å; S123-R127 VanDerWaalsContact O-N 3.09Å |
| 124 | A | 73.5 | Confident | 72.4 | Confident | 52 Ų | 52 | 105.1 Ų | 105.1 | 43% | 0.43 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.5 | -41.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S120 L121 R127 F128 | S120-A124 WeakPolarHBondContact O-CB 3.03Å; S120-A124 PolarHBondContact O-N 2.81Å; L121-A124 PolarHBondContact O-N 3.38Å; A124-R127 PolarHBondContact O-N 3.23Å; A124-F128 PolarHBondContact O-N 3.04Å; A124-F128 VanDerWaalsContact O-N 3.13Å |
| 125 | L | 69.4 | Low | 72.2 | Confident | 96 Ų | 96 | 109.9 Ų | 109.9 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.7 | -37 | 175.8 | -75.6 | 166.6 | 0 | 0 | 0 | 112.7 | L121 L122 R127 G129 | L121-L125 WeakPolarHBondContact O-CB 3.44Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.02Å; L121-L125 PolarHBondContact O-N 3.35Å; L122-L125 PolarHBondContact O-N 3.02Å; L125-R127 VanDerWaalsContact C-N 3.34Å; L125-G129 PolarHBondContact O-N 2.82Å |
| 126 | L | 70.6 | Confident | 71.8 | Confident | 138 Ų | 138 | 110.1 Ų | 110.1 | 72% | 0.723 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.2 | -28.4 | 174.7 | -76.9 | 163.2 | 0 | 0 | 0 | 112.9 | L122 S123 | L122-L126 HydrophobicContact CG-CD1 4.37Å; L122-L126 WeakPolarHBondContact O-CG 3.45Å; L122-L126 PolarHBondContact O-N 2.77Å; S123-L126 PolarHBondContact O-N 2.91Å |
| 127 | R | 65.1 | Low | 71.1 | Confident | 225 Ų | 225 | 115.1 Ų | 115.1 | 85% | 0.849 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -79.9 | -22.5 | 175.4 | -102.2 | -177.5 | 176.4 | -132.3 | 0.5 | 114.4 | S123 A124 L125 | S123-R127 PolarHBondContact O-N 3.31Å; S123-R127 VanDerWaalsContact O-N 3.09Å; A124-R127 PolarHBondContact O-N 3.23Å; L125-R127 VanDerWaalsContact C-N 3.34Å |
| 128 | F | 55.7 | Low | 70.3 | Confident | 189 Ų | 189 | 115.2 Ų | 115.2 | 83% | 0.829 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -115 | 12.4 | -178.7 | -80.9 | -85.5 | 0 | 0 | 0 | 113.3 | A124 | A124-F128 PolarHBondContact O-N 3.04Å; A124-F128 VanDerWaalsContact O-N 3.13Å |
| 129 | G | 52.4 | Low | 69.5 | Low | 43 Ų | 43 | 115.4 Ų | 115.4 | 44% | 0.443 | 64% | 0.637 | S | S | . | * | trans | -71.2 | 146 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L125 | L125-G129 PolarHBondContact O-N 2.82Š| ||
| 130 | P | 53.3 | Low | 68.5 | Low | 210 Ų | 210 | 116.4 Ų | 116.4 | 100% | 1.364 | 65% | 0.645 | S | S | * | * | trans | -62.9 | 0 | -178.3 | 29.9 | -35.7 | 0 | 0 | 0 | 113.2 |
Retrieved 130 of 130 residues in 542.3 ms
(Link to these results)