| 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 | 33.5 | Very low | 139 Ų | 139 | 74.8 Ų | 74.8 | 69% | 0.685 | 34% | 0.343 | S | S | * | . | 0 | 133.6 | 0 | -79.3 | 167.8 | 166.2 | 0 | 0 | 110.5 | K178 H203 I204 | M1-K178 WeakPolarHBondContact O-CE 3.09Å; M1-H203 WeakPolarHBondContact CE-O 3.34Å; M1-I204 WeakPolarHBondContact CE-OXT 3.22Å | |||
| 2 | T | 26.8 | Very low | 33.6 | Very low | 53 Ų | 53 | 80.8 Ų | 80.8 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | trans | -96.7 | 124.9 | -179.8 | -48.9 | 0 | 0 | 0 | 0 | 108.4 | Y4 K178 H203 | T2-Y4 HydrophobicContact CG2-CE1 4.11Å; T2-Y4 HydrophobicContact CG2-CE2 3.86Å; T2-K178 HydrophobicContact CG2-CB 4.2Å; T2-K178 HydrophobicContact CG2-CD 3.86Å; T2-K178 HydrophobicContact CG2-CG 4.17Å; T2-K178 PolarHBondContact OG1-NZ 3.43Å; T2-H203 PolarHBondContact O-CD2 2.88Å | ||
| 3 | K | 30.4 | Very low | 33.1 | Very low | 23 Ų | 23 | 83.7 Ų | 83.7 | 10% | 0.1 | 41% | 0.412 | C | S | . | . | trans | -117.3 | 168.7 | 174.8 | -64.7 | -169.9 | 174.8 | 171.1 | 0 | 109 | T177 K178 I179 I201 | K3-T177 CarbonylContact C-O 3.56Å; K3-T177 VanDerWaalsContact C-O 3.3Å; K3-T177 CarbonylContact O-C 3.14Å; K3-K178 WeakPolarHBondContact O-CA 3.48Å; K3-K178 PolarHBondContact O-N 2.84Å; K3-K178 VanDerWaalsContact O-N 3.14Å; K3-I179 HydrophobicContact CB-CG1 3.87Å; K3-I179 HydrophobicContact CD-CG1 4.17Å; K3-I201 WeakPolarHBondContact CG-O 3.38Å | ||
| 4 | Y | 31.6 | Very low | 32.8 | Very low | 106 Ų | 106 | 86.9 Ų | 86.9 | 42% | 0.416 | 43% | 0.429 | S | S | . | . | trans | -151.2 | 150.9 | -176.5 | -64.7 | -70.8 | 0 | 0 | 0 | 112.4 | T2 L176 T177 | T2-Y4 HydrophobicContact CG2-CE1 4.11Å; T2-Y4 HydrophobicContact CG2-CE2 3.86Å; Y4-L176 HydrophobicContact CD1-CB 3.27Å; Y4-L176 HydrophobicContact CD1-CD2 3.37Å; Y4-L176 HydrophobicContact CD1-CG 3.66Å; Y4-L176 WeakPolarHBondContact CD1-O 3.17Å; Y4-L176 HydrophobicContact CD2-CD2 3.17Å; Y4-L176 HydrophobicContact CD2-CG 4.22Å; Y4-L176 HydrophobicContact CE1-CB 3.86Å; Y4-L176 HydrophobicContact CE1-CD2 3.78Å; Y4-L176 HydrophobicContact CE1-CG 4.34Å; Y4-L176 HydrophobicContact CE2-CD2 3.66Å; Y4-L176 HydrophobicContact CG-CB 3.7Å; Y4-L176 HydrophobicContact CG-CD2 2.97Å; Y4-L176 HydrophobicContact CG-CG 3.52Å; Y4-T177 WeakPolarHBondContact CA-O 3.34Å; Y4-T177 PolarHBondContact N-O 3.27Å | ||
| 5 | L | 31.3 | Very low | 32.3 | Very low | 1 Ų | 1 | 95.1 Ų | 95.1 | 1% | 0.005 | 46% | 0.455 | C | S | . | . | trans | -133.5 | 115.5 | -160.2 | 176.8 | 80 | 0 | 0 | 0 | 114.6 | I7 F175 C185 E188 F198 | L5-I7 HydrophobicContact CD2-CD1 3.71Å; L5-I7 HydrophobicContact CD2-CG1 3.97Å; L5-I7 HydrophobicContact CG-CD1 4.35Å; L5-I7 HydrophobicContact CG-CG1 4.06Å; L5-F175 CarbonylContact C-O 3.3Å; L5-F175 CarbonylContact O-C 3.11Å; L5-C185 HydrophobicContact CD1-CB 3.75Å; L5-C185 VanDerWaalsContact CD1-O 3.24Å; L5-C185 WeakPolarHBondContact CD1-O 3.15Å; L5-C185 WeakPolarHBondContact CD1-SG 3.39Å; L5-E188 HydrophobicContact CD2-CB 3.42Å; L5-E188 VanDerWaalsContact CD2-CB 3.42Å; L5-E188 HydrophobicContact CD2-CG 4.46Å; L5-F198 HydrophobicContact CD1-CB 3.45Å; L5-F198 VanDerWaalsContact CD1-CB 3.45Å; L5-F198 HydrophobicContact CD1-CG 4.4Å | ||
| 6 | F | 34.7 | Very low | 31.8 | Very low | 53 Ų | 53 | 96.9 Ų | 96.9 | 23% | 0.232 | 47% | 0.468 | C | S | . | . | trans | -85.8 | 146 | 174.2 | -66 | -114.3 | 0 | 0 | 0 | 111.2 | Y174 L176 T197 F198 | F6-Y174 AromaticContact CD1-CD1 3.73Å; F6-Y174 HydrophobicContact CD1-CD1 3.73Å; F6-Y174 AromaticContact CD1-CD2 3.78Å; F6-Y174 HydrophobicContact CD1-CD2 3.78Å; F6-Y174 AromaticContact CD1-CG 3.24Å; F6-Y174 HydrophobicContact CD1-CG 3.24Å; F6-Y174 AromaticContact CE1-CD1 3.33Å; F6-Y174 HydrophobicContact CE1-CD1 3.33Å; F6-Y174 AromaticContact CE1-CD2 3.31Å; F6-Y174 HydrophobicContact CE1-CD2 3.31Å; F6-Y174 AromaticContact CE1-CE1 3.74Å; F6-Y174 HydrophobicContact CE1-CE1 3.74Å; F6-Y174 AromaticContact CE1-CE2 3.77Å; F6-Y174 HydrophobicContact CE1-CE2 3.77Å; F6-Y174 AromaticContact CE1-CG 3.07Å; F6-Y174 HydrophobicContact CE1-CG 3.07Å; F6-Y174 AromaticContact CE1-CZ 3.93Å; F6-Y174 HydrophobicContact CE2-CD2 4.41Å; F6-Y174 HydrophobicContact CG-CD2 4.44Å; F6-Y174 HydrophobicContact CG-CG 4.16Å; F6-Y174 HydrophobicContact CZ-CD1 4.35Å; F6-Y174 AromaticContact CZ-CD2 3.65Å; F6-Y174 HydrophobicContact CZ-CD2 3.65Å; F6-Y174 HydrophobicContact CZ-CE1 4.47Å; F6-Y174 AromaticContact CZ-CE2 3.86Å; F6-Y174 HydrophobicContact CZ-CE2 3.86Å; F6-Y174 AromaticContact CZ-CG 3.92Å; F6-Y174 HydrophobicContact CZ-CG 3.92Å; F6-L176 HydrophobicContact CE2-CD1 4.41Å; F6-L176 HydrophobicContact CZ-CD1 4.23Å; F6-T197 CarbonylContact C-O 3.01Å; F6-F198 WeakPolarHBondContact O-CA 3.4Å | ||
| 7 | I | 38.2 | Very low | 31.4 | Very low | 7 Ų | 7 | 101.2 Ų | 101.2 | 4% | 0.036 | 48% | 0.484 | C | S | . | . | trans | -146.9 | 124.5 | -175.9 | -62.6 | -163.6 | 0 | 0 | 0 | 108.8 | L5 N192 N194 C195 | L5-I7 HydrophobicContact CD2-CD1 3.71Å; L5-I7 HydrophobicContact CD2-CG1 3.97Å; L5-I7 HydrophobicContact CG-CD1 4.35Å; L5-I7 HydrophobicContact CG-CG1 4.06Å; I7-N192 HydrophobicContact CD1-CB 3.49Å; I7-N192 VanDerWaalsContact CD1-CB 3.49Å; I7-N192 HydrophobicContact CG2-CB 3.96Å; I7-N192 VanDerWaalsContact CG2-CG 3.49Å; I7-N192 WeakPolarHBondContact CG2-ND2 3.27Å; I7-N194 WeakPolarHBondContact CG2-O 2.91Å; I7-C195 HydrophobicContact CB-CB 3.93Å; I7-C195 HydrophobicContact CD1-CB 4.03Å; I7-C195 HydrophobicContact CG1-CB 3.92Å; I7-C195 WeakPolarHBondContact CG1-SG 3.36Å; I7-C195 HydrophobicContact CG2-CB 3.41Å; I7-C195 VanDerWaalsContact CG2-CB 3.41Å | ||
| 8 | I | 38.5 | Very low | 31 | Very low | 32 Ų | 32 | 99.7 Ų | 99.7 | 16% | 0.164 | 49% | 0.492 | C | S | . | . | trans | -122.8 | 135.9 | -177.7 | -54.9 | 174.2 | 0 | 0 | 0 | 111.3 | F170 N194 C195 L196 T197 | I8-F170 HydrophobicContact CD1-CB 4.45Å; I8-F170 WeakPolarHBondContact CD1-O 3.26Å; I8-N194 CarbonylContact C-O 3.46Å; I8-N194 CarbonylContact O-C 3.52Å; I8-C195 CarbonylContact O-C 3.54Å; I8-L196 HydrophobicContact CB-CB 4.27Å; I8-L196 HydrophobicContact CB-CD1 4.31Å; I8-L196 HydrophobicContact CG2-CD1 4.04Å; I8-L196 WeakPolarHBondContact O-CB 3.49Å; I8-L196 WeakPolarHBondContact O-CD1 3.35Å; I8-L196 WeakPolarHBondContact O-CG 2.93Å; I8-L196 PolarHBondContact O-N 3.39Å; I8-T197 HydrophobicContact CD1-CG2 3.57Å; I8-T197 HydrophobicContact CG1-CG2 4.06Å | ||
| 9 | H | 32.3 | Very low | 30.8 | Very low | 81 Ų | 81 | 98.8 Ų | 98.8 | 38% | 0.375 | 50% | 0.495 | S | S | . | . | trans | -105.1 | 123.5 | -161.7 | -63.5 | -148.7 | 0 | 0 | 0 | 116.7 | N192 N194 | H9-N192 PolarHBondContact NE2-OD1 3.18Å; H9-N194 WeakPolarHBondContact CA-O 3.43Å; H9-N194 HydrophobicContact CB-CB 3.37Å; H9-N194 WeakPolarHBondContact CD2-CB 3.05Å; H9-N194 PolarHBondContact CD2-O 3.46Å; H9-N194 WeakPolarHBondContact CE1-CB 3.44Å; H9-N194 PolarHBondContact CE1-ND2 2.72Å; H9-N194 VanDerWaalsContact CG-CG 3.44Å; H9-N194 PolarHBondContact N-O 2.65Å; H9-N194 VanDerWaalsContact N-O 3.15Å; H9-N194 WeakPolarHBondContact ND1-CB 3.47Å; H9-N194 PolarHBondContact ND1-ND2 2.84Å; H9-N194 VanDerWaalsContact ND1-ND2 3.17Å; H9-N194 PolarHBondContact ND1-OD1 3.38Å; H9-N194 WeakPolarHBondContact NE2-CB 3.26Å | ||
| 10 | I | 36.9 | Very low | 30.5 | Very low | 123 Ų | 123 | 104 Ų | 104 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | trans | -143.7 | 135.6 | 166.3 | -64.3 | 170.9 | 0 | 0 | 0 | 111.4 | L196 | I10-L196 HydrophobicContact CB-CD1 3.94Å; I10-L196 HydrophobicContact CD1-CD1 3.67Å; I10-L196 HydrophobicContact CG1-CD1 3.64Å | ||
| 11 | Y | 31.6 | Very low | 30.6 | Very low | 205 Ų | 205 | 103.3 Ų | 103.3 | 80% | 0.804 | 50% | 0.502 | S | S | * | . | trans | -89.6 | 116.7 | -174 | -99.7 | -97.5 | 0 | 0 | 0 | 114.8 | ||||
| 12 | I | 34.7 | Very low | 30.3 | Very low | 147 Ų | 147 | 102.6 Ų | 102.6 | 75% | 0.754 | 51% | 0.506 | S | S | * | . | trans | -148.2 | 129.1 | 158.9 | -58.4 | -177.9 | 0 | 0 | 0 | 109.9 | I14 | I12-I14 HydrophobicContact CG2-CD1 4.49Å; I12-I14 HydrophobicContact CG2-CG1 4.3Å | ||
| 13 | S | 26.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 102.8 Ų | 102.8 | 83% | 0.825 | 50% | 0.503 | S | S | * | . | trans | -82.1 | 125.6 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 14 | I | 28.4 | Very low | 30.7 | Very low | 128 Ų | 128 | 105.9 Ų | 105.9 | 66% | 0.656 | 53% | 0.528 | S | S | * | . | trans | -140.8 | 138.2 | 173.1 | -56.7 | 180 | 0 | 0 | 0 | 111.5 | I12 | I12-I14 HydrophobicContact CG2-CD1 4.49Å; I12-I14 HydrophobicContact CG2-CG1 4.3Å | ||
| 15 | Y | 25.3 | Very low | 31 | Very low | 210 Ų | 210 | 102.5 Ų | 102.5 | 82% | 0.824 | 52% | 0.517 | S | S | * | . | trans | -65.6 | 133.4 | -177.4 | -76.6 | -96.6 | 0 | 0 | 0 | 114.4 | Q156 | Y15-Q156 VanDerWaalsContact O-CD 3.3Å; Y15-Q156 PolarHBondContact O-NE2 2.8Å; Y15-Q156 PolarHBondContact O-OE1 3.5Å | ||
| 16 | L | 24.7 | Very low | 31.4 | Very low | 125 Ų | 125 | 105.5 Ų | 105.5 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | trans | -84.3 | 133.3 | -170 | -64.5 | 158.2 | 0 | 0 | 0 | 114.7 | N155 | L16-N155 WeakPolarHBondContact CD2-OD1 2.96Š| ||
| 17 | F | 25.2 | Very low | 32 | Very low | 169 Ų | 169 | 111.6 Ų | 111.6 | 74% | 0.741 | 56% | 0.557 | S | S | * | * | trans | -136.5 | 117.3 | 160.1 | -86 | -82.6 | 0 | 0 | 0 | 108.9 | Q156 | F17-Q156 VanDerWaalsContact N-NE2 3.17Š| ||
| 18 | A | 24.4 | Very low | 32.4 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | trans | -67.4 | 134.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y20 | A18-Y20 HydrophobicContact CB-CD2 4.26Å; A18-Y20 HydrophobicContact CB-CE2 3.91Å | ||
| 19 | C | 26.1 | Very low | 33 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 56% | 0.561 | 61% | 0.611 | S | S | * | * | trans | -92.2 | 110.5 | 167.5 | -74.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 20 | Y | 26.1 | Very low | 34.2 | Very low | 202 Ų | 202 | 123.3 Ų | 123.3 | 79% | 0.792 | 61% | 0.605 | S | S | * | * | trans | -87.8 | 133.8 | 169.8 | -77.3 | -91.5 | 0 | 0 | 0 | 110 | A18 T22 | A18-Y20 HydrophobicContact CB-CD2 4.26Å; A18-Y20 HydrophobicContact CB-CE2 3.91Å; Y20-T22 PolarHBondContact O-N 3.29Å | ||
| 21 | Y | 33.2 | Very low | 35.2 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 35% | 0.349 | 58% | 0.58 | S | S | . | * | trans | -70.2 | 119.9 | 164.9 | 173.5 | -106.5 | 0 | 0 | 0 | 108.8 | Q23 L33 L80 | Y21-Q23 HydrophobicContact CD1-CB 4.12Å; Y21-Q23 HydrophobicContact CE1-CB 3.45Å; Y21-Q23 VanDerWaalsContact CE1-CB 3.45Å; Y21-Q23 HydrophobicContact CE1-CG 4.1Å; Y21-L33 HydrophobicContact CE2-CB 4.49Å; Y21-L33 WeakPolarHBondContact OH-CD2 3.01Å; Y21-L80 HydrophobicContact CE2-CD2 4.25Å | ||
| 22 | T | 29.6 | Very low | 36.2 | Very low | 125 Ų | 125 | 111.9 Ų | 111.9 | 77% | 0.767 | 56% | 0.559 | S | S | * | * | trans | -105.3 | 94.6 | 173.2 | 38.5 | 0 | 0 | 0 | 0 | 109.9 | Y20 S24 | Y20-T22 PolarHBondContact O-N 3.29Å; T22-S24 PolarHBondContact O-N 3.48Å | ||
| 23 | Q | 36.1 | Very low | 37.1 | Very low | 56 Ų | 56 | 105 Ų | 105 | 26% | 0.262 | 52% | 0.524 | S | S | . | . | trans | -83.8 | 99.7 | 166.5 | -163.9 | 171.8 | 5.9 | 0 | 0 | 108.7 | Y21 N25 L33 E122 | Y21-Q23 HydrophobicContact CD1-CB 4.12Å; Y21-Q23 HydrophobicContact CE1-CB 3.45Å; Y21-Q23 VanDerWaalsContact CE1-CB 3.45Å; Y21-Q23 HydrophobicContact CE1-CG 4.1Å; Q23-N25 HydrophobicContact CG-CB 4.27Å; Q23-N25 PolarHBondContact NE2-ND2 3.05Å; Q23-N25 PolarHBondContact O-N 3.01Å; Q23-L33 HydrophobicContact CG-CD2 4.14Å; Q23-E122 PolarHBondContact NE2-OE2 3.41Å | ||
| 24 | S | 29.4 | Very low | 38.1 | Very low | 88 Ų | 88 | 101.5 Ų | 101.5 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | trans | -88.6 | 88.9 | 166.9 | 166.5 | 0 | 0 | 0 | 0 | 108.1 | T22 T31 | T22-S24 PolarHBondContact O-N 3.48Å; S24-T31 WeakPolarHBondContact O-CG2 3.18Å | ||
| 25 | N | 37.5 | Very low | 38.7 | Very low | 35 Ų | 35 | 99 Ų | 99 | 19% | 0.187 | 49% | 0.491 | C | S | . | . | trans | -95.6 | 99.2 | -179.3 | -102 | 1.9 | 0 | 0 | 0 | 111.6 | Q23 T31 W57 | Q23-N25 HydrophobicContact CG-CB 4.27Å; Q23-N25 PolarHBondContact NE2-ND2 3.05Å; Q23-N25 PolarHBondContact O-N 3.01Å; N25-T31 PolarHBondContact OD1-OG1 3.26Å; N25-W57 HydrophobicContact CB-CZ2 3.81Å | ||
| 26 | T | 40.5 | Very low | 39 | Very low | 64 Ų | 64 | 92.6 Ų | 92.6 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | trans | -87.9 | 137.4 | 166.8 | 43.9 | 0 | 0 | 0 | 0 | 109.4 | R28 D29 | T26-R28 PolarHBondContact O-N 3.42Å; T26-D29 WeakPolarHBondContact CB-OD2 3.44Å; T26-D29 PolarHBondContact O-N 3.14Å; T26-D29 VanDerWaalsContact OG1-CB 3.22Å; T26-D29 WeakPolarHBondContact OG1-CB 3.1Å; T26-D29 VanDerWaalsContact OG1-CG 3.25Å; T26-D29 PolarHBondContact OG1-OD2 3.07Å | ||
| 27 | R | 46.2 | Very low | 39.4 | Very low | 182 Ų | 182 | 94.5 Ų | 94.5 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -6.8 | -170.4 | -73.8 | -175 | 179.9 | 179.9 | -0.3 | 115.9 | ||
| 28 | R | 46.1 | Very low | 39.8 | Very low | 227 Ų | 227 | 97.3 Ų | 97.3 | 86% | 0.857 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -8.6 | 179.1 | -69.2 | -172.1 | 178 | -175 | -0 | 113.6 | T26 | T26-R28 PolarHBondContact O-N 3.42Š|
| 29 | D | 52.7 | Low | 40.2 | Very low | 89 Ų | 89 | 96.8 Ų | 96.8 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | trans | -115.7 | 143.9 | -168.2 | -49.1 | -42 | 0 | 0 | 0 | 111.7 | T26 | T26-D29 WeakPolarHBondContact CB-OD2 3.44Å; T26-D29 PolarHBondContact O-N 3.14Å; T26-D29 VanDerWaalsContact OG1-CB 3.22Å; T26-D29 WeakPolarHBondContact OG1-CB 3.1Å; T26-D29 VanDerWaalsContact OG1-CG 3.25Å; T26-D29 PolarHBondContact OG1-OD2 3.07Å | ||
| 30 | I | 56.7 | Low | 40.5 | Very low | 50 Ų | 50 | 98.1 Ų | 98.1 | 26% | 0.256 | 48% | 0.481 | S | S | . | . | trans | -78 | 130.2 | 168.5 | -65.5 | 163.5 | 0 | 0 | 0 | 107.3 | I54 G55 P111 I135 | I30-I54 HydrophobicContact CG2-CB 3.59Å; I30-I54 HydrophobicContact CG2-CD1 3.53Å; I30-I54 HydrophobicContact CG2-CG1 4.08Å; I30-I54 HydrophobicContact CG2-CG2 3.92Å; I30-G55 CarbonylContact C-O 3.44Å; I30-G55 VanDerWaalsContact CA-O 3.31Å; I30-G55 WeakPolarHBondContact CA-O 3.1Å; I30-P111 HydrophobicContact CD1-CB 3.83Å; I30-I135 HydrophobicContact CB-CG2 4.16Å; I30-I135 HydrophobicContact CD1-CG2 4.09Å; I30-I135 HydrophobicContact CG2-CG2 4.24Å | ||
| 31 | T | 56.7 | Low | 40.7 | Very low | 18 Ų | 18 | 95.3 Ų | 95.3 | 11% | 0.11 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.9 | -172.9 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | S24 N25 L33 I54 G55 | S24-T31 WeakPolarHBondContact O-CG2 3.18Å; N25-T31 PolarHBondContact OD1-OG1 3.26Å; T31-L33 PolarHBondContact O-N 3.22Å; T31-I54 CarbonylContact O-C 3.5Å; T31-I54 WeakPolarHBondContact O-CA 2.91Å; T31-G55 PolarHBondContact N-O 3.46Å; T31-G55 PolarHBondContact O-N 3.05Å; T31-G55 PolarHBondContact OG1-O 2.92Å |
| 32 | L | 54 | Low | 40.8 | Very low | 69 Ų | 69 | 92.9 Ų | 92.9 | 36% | 0.361 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 114.2 | 178.8 | -172.7 | 73.3 | 0 | 0 | 0 | 109.3 | S34 K52 I54 | L32-S34 PolarHBondContact O-N 2.91Å; L32-K52 HydrophobicContact CD1-CB 3.94Å; L32-K52 HydrophobicContact CD1-CD 3.77Å; L32-K52 HydrophobicContact CD2-CD 4.19Å; L32-K52 HydrophobicContact CG-CD 4.48Å; L32-I54 HydrophobicContact CD1-CG2 4.14Å |
| 33 | L | 53.7 | Low | 40.9 | Very low | 3 Ų | 3 | 93.8 Ų | 93.8 | 2% | 0.016 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 86.4 | 170.2 | -46.9 | 177.2 | 0 | 0 | 0 | 107 | Y21 Q23 T31 T35 W53 L80 F92 | Y21-L33 HydrophobicContact CE2-CB 4.49Å; Y21-L33 WeakPolarHBondContact OH-CD2 3.01Å; Q23-L33 HydrophobicContact CG-CD2 4.14Å; T31-L33 PolarHBondContact O-N 3.22Å; L33-T35 PolarHBondContact O-N 3.23Å; L33-W53 CarbonylContact C-O 3.6Å; L33-W53 WeakPolarHBondContact CA-O 3.43Å; L33-W53 HydrophobicContact CB-CB 3.76Å; L33-W53 HydrophobicContact CD1-CB 4.4Å; L33-W53 PolarHBondContact N-O 3.39Å; L33-W53 WeakPolarHBondContact O-CB 2.98Å; L33-L80 HydrophobicContact CB-CD2 4.45Å; L33-F92 HydrophobicContact CD1-CZ 4.37Å |
| 34 | S | 46.5 | Very low | 40.8 | Very low | 44 Ų | 44 | 97 Ų | 97 | 31% | 0.308 | 50% | 0.499 | S | S | . | . | trans | -84.3 | 117.1 | 178.5 | -163.7 | 0 | 0 | 0 | 0 | 110 | L32 C36 | L32-S34 PolarHBondContact O-N 2.91Å; S34-C36 WeakPolarHBondContact CB-O 3.16Å; S34-C36 PolarHBondContact O-N 3.14Å; S34-C36 PolarHBondContact OG-N 3.4Å; S34-C36 PolarHBondContact OG-O 3.4Å | ||
| 35 | T | 41.2 | Very low | 40.9 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -76.3 | 2.3 | 165.8 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | L33 L84 | L33-T35 PolarHBondContact O-N 3.23Å; T35-L84 HydrophobicContact CG2-CD1 3.9Å |
| 36 | C | 33.2 | Very low | 40.6 | Very low | 74 Ų | 74 | 104.2 Ų | 104.2 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -131.1 | 138.3 | -177.5 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | S34 W38 | S34-C36 WeakPolarHBondContact CB-O 3.16Å; S34-C36 PolarHBondContact O-N 3.14Å; S34-C36 PolarHBondContact OG-N 3.4Å; S34-C36 PolarHBondContact OG-O 3.4Å; C36-W38 PolarHBondContact O-N 3.38Å |
| 37 | K | 32.5 | Very low | 40.1 | Very low | 165 Ų | 165 | 106.6 Ų | 106.6 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | trans | -57 | 137.1 | 169.3 | -151.6 | 173.4 | -175.4 | 177 | 0 | 108.9 | C39 | K37-C39 PolarHBondContact O-N 2Š| ||
| 38 | W | 32.9 | Very low | 39.5 | Very low | 229 Ų | 229 | 99 Ų | 99 | 87% | 0.867 | 52% | 0.522 | S | S | * | . | trans | -43.2 | 111.8 | 175.1 | -111.7 | 19.8 | 0 | 0 | 0 | 110.5 | C36 T40 | C36-W38 PolarHBondContact O-N 3.38Å; W38-T40 PolarHBondContact O-N 2.77Å | ||
| 39 | C | 33.4 | Very low | 39.1 | Very low | 63 Ų | 63 | 95.3 Ų | 95.3 | 43% | 0.426 | 52% | 0.519 | S | S | . | . | trans | -81.7 | 103.6 | 170.6 | 163.8 | 0 | 0 | 0 | 0 | 107.4 | K37 N41 C42 | K37-C39 PolarHBondContact O-N 2Å; C39-N41 PolarHBondContact O-N 2.94Å; C39-C42 HydrophobicContact CB-CB 3.61Å; C39-C42 WeakPolarHBondContact CB-SG 3.41Å; C39-C42 WeakPolarHBondContact O-CB 3.45Å; C39-C42 PolarHBondContact O-N 2.76Å; C39-C42 WeakPolarHBondContact SG-CB 3.4Å; C39-C42 PolarHBondContact SG-N 3.15Å; C39-C42 CovalentContact SG-SG 2.03Å; C39-C42 PolarHBondContact SG-SG 3.13Å | ||
| 40 | T | 31.6 | Very low | 39 | Very low | 111 Ų | 111 | 97.1 Ų | 97.1 | 68% | 0.681 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -60.8 | -25.5 | -179.8 | 43.2 | 0 | 0 | 0 | 0 | 113 | W38 | W38-T40 PolarHBondContact O-N 2.77Š|
| 41 | N | 30.3 | Very low | 38.9 | Very low | 144 Ų | 144 | 96.3 Ų | 96.3 | 77% | 0.77 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -88.2 | -1.9 | 175.7 | -72.5 | -8.1 | 0 | 0 | 0 | 114.3 | C39 N43 | C39-N41 PolarHBondContact O-N 2.94Å; N41-N43 PolarHBondContact O-N 2.94Å |
| 42 | C | 35.4 | Very low | 39.1 | Very low | 38 Ų | 38 | 99 Ų | 99 | 26% | 0.257 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -87.1 | 5.2 | -177.8 | -69.4 | 0 | 0 | 0 | 0 | 113.2 | C39 T44 M46 | C39-C42 HydrophobicContact CB-CB 3.61Å; C39-C42 WeakPolarHBondContact CB-SG 3.41Å; C39-C42 WeakPolarHBondContact O-CB 3.45Å; C39-C42 PolarHBondContact O-N 2.76Å; C39-C42 WeakPolarHBondContact SG-CB 3.4Å; C39-C42 PolarHBondContact SG-N 3.15Å; C39-C42 CovalentContact SG-SG 2.03Å; C39-C42 PolarHBondContact SG-SG 3.13Å; C42-T44 PolarHBondContact O-N 3.17Å; C42-M46 HydrophobicContact CB-CE 4.08Å; C42-M46 HydrophobicContact CB-CG 4.26Å; C42-M46 HydrophobicContact CB-SD 3.54Å; C42-M46 VanDerWaalsContact CB-SD 3.54Å; C42-M46 WeakPolarHBondContact SG-CE 3.18Å; C42-M46 VanDerWaalsContact SG-SD 3.63Å |
| 43 | N | 33.1 | Very low | 40 | Very low | 144 Ų | 144 | 96.1 Ų | 96.1 | 77% | 0.77 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -79.9 | -11.4 | -169.9 | -89.9 | -14.3 | 0 | 0 | 0 | 115.6 | N41 | N41-N43 PolarHBondContact O-N 2.94Š|
| 44 | T | 33.2 | Very low | 40.7 | Very low | 123 Ų | 123 | 96.1 Ų | 96.1 | 76% | 0.755 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -121.7 | -18.3 | -165.6 | 50.1 | 0 | 0 | 0 | 0 | 117.1 | C42 | C42-T44 PolarHBondContact O-N 3.17Š|
| 45 | N | 30.6 | Very low | 41.9 | Very low | 162 Ų | 162 | 94.1 Ų | 94.1 | 87% | 0.866 | 50% | 0.501 | S | S | * | . | trans | -169.9 | 54.5 | 174 | -108.1 | -16.7 | 0 | 0 | 0 | 112.6 | S47 | N45-S47 PolarHBondContact O-N 3.49Š| ||
| 46 | M | 31.6 | Very low | 43.3 | Very low | 113 Ų | 113 | 90.9 Ų | 90.9 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | trans | -74.6 | 98.3 | 168.4 | -104.1 | -171 | 157.9 | 0 | 0 | 108.8 | C42 C48 | C42-M46 HydrophobicContact CB-CE 4.08Å; C42-M46 HydrophobicContact CB-CG 4.26Å; C42-M46 HydrophobicContact CB-SD 3.54Å; C42-M46 VanDerWaalsContact CB-SD 3.54Å; C42-M46 WeakPolarHBondContact SG-CE 3.18Å; C42-M46 VanDerWaalsContact SG-SD 3.63Å; M46-C48 HydrophobicContact CB-CB 3.97Å; M46-C48 WeakPolarHBondContact CB-SG 3.08Å; M46-C48 WeakPolarHBondContact CG-SG 3.36Å; M46-C48 PolarHBondContact O-N 3.25Å; M46-C48 PolarHBondContact SD-SG 3.39Å | ||
| 47 | S | 31.2 | Very low | 45.3 | Very low | 113 Ų | 113 | 89.3 Ų | 89.3 | 79% | 0.79 | 47% | 0.466 | S | S | * | . | trans | -67.3 | 65.6 | 162.5 | 64.1 | 0 | 0 | 0 | 0 | 108.7 | N45 N49 | N45-S47 PolarHBondContact O-N 3.49Å; S47-N49 PolarHBondContact O-N 3.31Å | ||
| 48 | C | 32.4 | Very low | 47.4 | Very low | 22 Ų | 22 | 81.4 Ų | 81.4 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | trans | -94.2 | 94.1 | -162.4 | -100.5 | 0 | 0 | 0 | 0 | 110.2 | M46 Y50 C129 | M46-C48 HydrophobicContact CB-CB 3.97Å; M46-C48 WeakPolarHBondContact CB-SG 3.08Å; M46-C48 WeakPolarHBondContact CG-SG 3.36Å; M46-C48 PolarHBondContact O-N 3.25Å; M46-C48 PolarHBondContact SD-SG 3.39Å; C48-Y50 VanDerWaalsContact CA-CD2 3.41Å; C48-Y50 HydrophobicContact CB-CD2 3.45Å; C48-Y50 VanDerWaalsContact CB-CD2 3.45Å; C48-Y50 HydrophobicContact CB-CE2 4.1Å; C48-Y50 HydrophobicContact CB-CG 4.42Å; C48-Y50 PolarHBondContact O-N 3.31Å; C48-Y50 WeakPolarHBondContact SG-CD2 3.49Å; C48-Y50 WeakPolarHBondContact SG-CE2 3.12Å; C48-C129 HydrophobicContact CB-CB 3.6Å | ||
| 49 | N | 38.5 | Very low | 49.5 | Very low | 150 Ų | 150 | 72.6 Ų | 72.6 | 80% | 0.802 | 40% | 0.401 | S | S | * | . | trans | -65.3 | 33.5 | 161.3 | -72.2 | -16.2 | 0 | 0 | 0 | 112.5 | S47 | S47-N49 PolarHBondContact O-N 3.31Š| ||
| 50 | Y | 50.3 | Low | 51.3 | Low | 128 Ų | 128 | 70.1 Ų | 70.1 | 50% | 0.502 | 38% | 0.384 | S | S | . | . | trans | -112.3 | 156.5 | -173.2 | -56.1 | -97.7 | 0 | 0 | 0 | 110.2 | C48 C129 | C48-Y50 VanDerWaalsContact CA-CD2 3.41Å; C48-Y50 HydrophobicContact CB-CD2 3.45Å; C48-Y50 VanDerWaalsContact CB-CD2 3.45Å; C48-Y50 HydrophobicContact CB-CE2 4.1Å; C48-Y50 HydrophobicContact CB-CG 4.42Å; C48-Y50 PolarHBondContact O-N 3.31Å; C48-Y50 WeakPolarHBondContact SG-CD2 3.49Å; C48-Y50 WeakPolarHBondContact SG-CE2 3.12Å; Y50-C129 WeakPolarHBondContact O-CB 3.29Å; Y50-C129 PolarHBondContact O-N 2.99Å; Y50-C129 PolarHBondContact O-SG 3.23Å; Y50-C129 VanDerWaalsContact O-SG 3.34Å | ||
| 51 | S | 54.5 | Low | 53.1 | Low | 33 Ų | 33 | 68 Ų | 68 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139.1 | 170.1 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | R126 I127 | S51-R126 PolarHBondContact OG-NH1 2.03Å; S51-I127 CarbonylContact C-O 3.6Å; S51-I127 WeakPolarHBondContact CA-O 3.24Å; S51-I127 WeakPolarHBondContact CB-O 3.46Å |
| 52 | K | 61.7 | Low | 54.3 | Low | 75 Ų | 75 | 68.1 Ų | 68.1 | 33% | 0.326 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 160.7 | 162.5 | -65.9 | -161.6 | -167.5 | 174.2 | 0 | 110.5 | L32 R126 I127 I132 | L32-K52 HydrophobicContact CD1-CB 3.94Å; L32-K52 HydrophobicContact CD1-CD 3.77Å; L32-K52 HydrophobicContact CD2-CD 4.19Å; L32-K52 HydrophobicContact CG-CD 4.48Å; K52-R126 CarbonylContact O-C 3.55Å; K52-R126 WeakPolarHBondContact O-CA 3.14Å; K52-I127 HydrophobicContact CB-CG1 4.41Å; K52-I127 PolarHBondContact N-O 3.33Å; K52-I127 PolarHBondContact O-N 3.25Å; K52-I132 HydrophobicContact CB-CD1 4.3Å; K52-I132 HydrophobicContact CD-CD1 3.35Å; K52-I132 HydrophobicContact CD-CG1 4.43Å; K52-I132 HydrophobicContact CG-CD1 3.79Å |
| 53 | W | 71.7 | Confident | 55.1 | Low | 7 Ų | 7 | 70.8 Ų | 70.8 | 3% | 0.027 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 139.8 | 170.5 | -74.1 | 87.6 | 0 | 0 | 0 | 109.6 | L33 L80 C83 L84 F90 F92 T125 R126 | L33-W53 CarbonylContact C-O 3.6Å; L33-W53 WeakPolarHBondContact CA-O 3.43Å; L33-W53 HydrophobicContact CB-CB 3.76Å; L33-W53 HydrophobicContact CD1-CB 4.4Å; L33-W53 PolarHBondContact N-O 3.39Å; L33-W53 WeakPolarHBondContact O-CB 2.98Å; W53-L80 HydrophobicContact CB-CD1 4.43Å; W53-L80 HydrophobicContact CD2-CD1 3.76Å; W53-L80 HydrophobicContact CE3-CD1 3.94Å; W53-L80 HydrophobicContact CG-CD1 3.98Å; W53-C83 HydrophobicContact CH2-CB 4.32Å; W53-C83 WeakPolarHBondContact CH2-SG 2.88Å; W53-L84 HydrophobicContact CZ2-CD2 4.18Å; W53-F90 WeakPolarHBondContact CH2-O 3.44Å; W53-F92 HydrophobicContact CE3-CD1 4.46Å; W53-F92 HydrophobicContact CE3-CE1 4.18Å; W53-F92 AromaticContact CZ3-CD1 3.9Å; W53-F92 HydrophobicContact CZ3-CD1 3.9Å; W53-F92 HydrophobicContact CZ3-CE1 4.08Å; W53-T125 WeakPolarHBondContact CA-O 3.24Å; W53-T125 VanDerWaalsContact CE3-C 3.43Å; W53-R126 HydrophobicContact CD2-CG 3.84Å; W53-R126 VanDerWaalsContact CE2-CG 3.42Å; W53-R126 HydrophobicContact CE3-CG 4.21Å; W53-R126 HydrophobicContact CG-CG 4.49Å; W53-R126 HydrophobicContact CH2-CG 3.73Å; W53-R126 HydrophobicContact CZ2-CG 3.41Å; W53-R126 VanDerWaalsContact CZ2-CG 3.41Å; W53-R126 HydrophobicContact CZ3-CG 4.15Å |
| 54 | I | 68.8 | Low | 56.3 | Low | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151 | 167.1 | 55.4 | 165.1 | 0 | 0 | 0 | 109.2 | I30 T31 L32 P111 G124 T125 I127 | I30-I54 HydrophobicContact CG2-CB 3.59Å; I30-I54 HydrophobicContact CG2-CD1 3.53Å; I30-I54 HydrophobicContact CG2-CG1 4.08Å; I30-I54 HydrophobicContact CG2-CG2 3.92Å; T31-I54 CarbonylContact O-C 3.5Å; T31-I54 WeakPolarHBondContact O-CA 2.91Å; L32-I54 HydrophobicContact CD1-CG2 4.14Å; I54-P111 HydrophobicContact CD1-CB 3.61Å; I54-P111 HydrophobicContact CD1-CG 3.8Å; I54-G124 CarbonylContact O-C 3.52Å; I54-G124 WeakPolarHBondContact O-CA 2.77Å; I54-T125 HydrophobicContact CD1-CG2 3.79Å; I54-T125 HydrophobicContact CG1-CG2 3.61Å; I54-T125 WeakPolarHBondContact CG1-O 3.43Å; I54-T125 PolarHBondContact N-O 3.36Å; I54-T125 PolarHBondContact O-N 2.94Å; I54-I127 HydrophobicContact CD1-CG2 3.44Å; I54-I127 VanDerWaalsContact CD1-CG2 3.44Å; I54-I127 HydrophobicContact CG1-CG1 4.41Å; I54-I127 HydrophobicContact CG1-CG2 3.73Å; I54-I127 HydrophobicContact CG2-CD1 3.43Å; I54-I127 VanDerWaalsContact CG2-CD1 3.43Å; I54-I127 HydrophobicContact CG2-CG1 3.85Å |
| 55 | G | 71.3 | Confident | 57.5 | Low | 3 Ų | 3 | 63.8 Ų | 63.8 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 153.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | I30 T31 L123 | I30-G55 CarbonylContact C-O 3.44Å; I30-G55 VanDerWaalsContact CA-O 3.31Å; I30-G55 WeakPolarHBondContact CA-O 3.1Å; T31-G55 PolarHBondContact N-O 3.46Å; T31-G55 PolarHBondContact O-N 3.05Å; T31-G55 PolarHBondContact OG1-O 2.92Å; G55-L123 CarbonylContact C-O 3.41Å; G55-L123 VanDerWaalsContact CA-O 3.24Å; G55-L123 WeakPolarHBondContact CA-O 3.36Å |
| 56 | G | 71.3 | Confident | 58.9 | Low | 8 Ų | 8 | 62.7 Ų | 62.7 | 8% | 0.082 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | -165.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L123 | G56-L123 PolarHBondContact N-O 2.76Å; G56-L123 PolarHBondContact O-N 2.97Å |
| 57 | W | 75.1 | Confident | 60.8 | Low | 41 Ų | 41 | 61.6 Ų | 61.6 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.1 | -173.6 | -72.6 | 95.3 | 0 | 0 | 0 | 110.6 | N25 T96 R118 F121 E122 | N25-W57 HydrophobicContact CB-CZ2 3.81Å; W57-T96 HydrophobicContact CE3-CG2 4.1Å; W57-T96 HydrophobicContact CH2-CG2 4.1Å; W57-T96 HydrophobicContact CZ3-CG2 3.33Å; W57-R118 HydrophobicContact CB-CB 4.29Å; W57-R118 WeakPolarHBondContact CB-O 2.88Å; W57-R118 WeakPolarHBondContact O-CG 3.22Å; W57-F121 WeakPolarHBondContact CA-O 3.17Å; W57-E122 HydrophobicContact CE3-CG 4.36Å; W57-E122 HydrophobicContact CH2-CG 4.1Å; W57-E122 HydrophobicContact CZ3-CG 4.04Å |
| 58 | G | 76.3 | Confident | 62.9 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 116.9 | 174 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y116 F121 | G58-Y116 CarbonylContact C-O 3.36Å; G58-Y116 WeakPolarHBondContact CA-O 2.97Å; G58-F121 PolarHBondContact N-O 3.3Å |
| 59 | L | 77.6 | Confident | 65.2 | Low | 43 Ų | 43 | 63.9 Ų | 63.9 | 23% | 0.225 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.3 | 176.1 | -74.1 | 171.3 | 0 | 0 | 0 | 110 | T93 F115 Y116 N117 F121 | L59-T93 HydrophobicContact CD2-CG2 4.14Å; L59-F115 WeakPolarHBondContact O-CA 3.25Å; L59-Y116 PolarHBondContact N-O 3.46Å; L59-Y116 PolarHBondContact O-N 3.43Å; L59-N117 HydrophobicContact CD1-CB 4.28Å; L59-F121 HydrophobicContact CD1-CD1 4.44Å; L59-F121 HydrophobicContact CD1-CD2 3.62Å; L59-F121 HydrophobicContact CD1-CE1 4.3Å; L59-F121 HydrophobicContact CD1-CE2 3.49Å; L59-F121 VanDerWaalsContact CD1-CE2 3.49Å; L59-F121 HydrophobicContact CD1-CG 4.12Å; L59-F121 HydrophobicContact CD1-CZ 3.85Å; L59-F121 HydrophobicContact CD2-CB 4.23Å; L59-F121 HydrophobicContact CD2-CD1 3.48Å; L59-F121 VanDerWaalsContact CD2-CD1 3.48Å; L59-F121 HydrophobicContact CD2-CD2 4.04Å; L59-F121 HydrophobicContact CD2-CE1 3.74Å; L59-F121 HydrophobicContact CD2-CE2 4.3Å; L59-F121 HydrophobicContact CD2-CG 3.63Å; L59-F121 HydrophobicContact CD2-CZ 4.16Å; L59-F121 HydrophobicContact CG-CB 4.08Å; L59-F121 HydrophobicContact CG-CD1 3.95Å; L59-F121 HydrophobicContact CG-CD2 3.53Å; L59-F121 HydrophobicContact CG-CE1 4.27Å; L59-F121 HydrophobicContact CG-CE2 3.92Å; L59-F121 HydrophobicContact CG-CG 3.56Å; L59-F121 HydrophobicContact CG-CZ 4.26Å |
| 60 | P | 70.9 | Confident | 67.3 | Low | 11 Ų | 11 | 61.1 Ų | 61.1 | 7% | 0.071 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 150.8 | 171 | 28.7 | -33.4 | 0 | 0 | 0 | 110.6 | F64 Y105 V109 | P60-F64 HydrophobicContact CB-CB 4.08Å; P60-F64 HydrophobicContact CB-CD2 3.79Å; P60-F64 HydrophobicContact CB-CE2 4.47Å; P60-F64 HydrophobicContact CB-CG 3.95Å; P60-F64 HydrophobicContact CG-CB 4.02Å; P60-F64 HydrophobicContact CG-CG 4.3Å; P60-Y105 HydrophobicContact CG-CE1 4.23Å; P60-Y105 HydrophobicContact CG-CE2 4.26Å; P60-V109 HydrophobicContact CB-CB 4.49Å; P60-V109 HydrophobicContact CB-CG1 3.87Å; P60-V109 HydrophobicContact CB-CG2 3.73Å; P60-V109 HydrophobicContact CG-CG2 3.84Å |
| 61 | N | 68.9 | Low | 68.6 | Low | 67 Ų | 67 | 56.2 Ų | 56.2 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -58 | 156.9 | 178.7 | -162.8 | -1.8 | 0 | 0 | 0 | 112.3 | S63 F64 Y116 | N61-S63 PolarHBondContact O-N 3.36Å; N61-F64 PolarHBondContact O-N 2.85Å; N61-Y116 HydrophobicContact CB-CE2 4.15Å |
| 62 | Q | 56 | Low | 69.9 | Low | 147 Ų | 147 | 60.6 Ų | 60.6 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -47.7 | -27.4 | -171.6 | -119.1 | 169.1 | 4 | 0 | 0 | 115.2 | F64 I65 | Q62-F64 PolarHBondContact O-N 3.5Å; Q62-I65 HydrophobicContact CB-CD1 4.23Å; Q62-I65 HydrophobicContact CG-CD1 3.49Å; Q62-I65 VanDerWaalsContact CG-CD1 3.49Å; Q62-I65 HydrophobicContact CG-CG1 4.42Å; Q62-I65 VanDerWaalsContact O-CB 3.3Å; Q62-I65 WeakPolarHBondContact O-CB 3.35Å; Q62-I65 WeakPolarHBondContact O-CG1 3.2Å; Q62-I65 PolarHBondContact O-N 2.83Å |
| 63 | S | 52.2 | Low | 70.4 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 65% | 0.65 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -61 | -12.1 | 174.6 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | N61 | N61-S63 PolarHBondContact O-N 3.36Š|
| 64 | F | 57.7 | Low | 70.1 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 20% | 0.197 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -91.3 | -9 | 173 | -80.4 | -88.2 | 0 | 0 | 0 | 114.2 | P60 N61 Q62 D66 Y105 K107 P108 V109 | P60-F64 HydrophobicContact CB-CB 4.08Å; P60-F64 HydrophobicContact CB-CD2 3.79Å; P60-F64 HydrophobicContact CB-CE2 4.47Å; P60-F64 HydrophobicContact CB-CG 3.95Å; P60-F64 HydrophobicContact CG-CB 4.02Å; P60-F64 HydrophobicContact CG-CG 4.3Å; N61-F64 PolarHBondContact O-N 2.85Å; Q62-F64 PolarHBondContact O-N 3.5Å; F64-D66 VanDerWaalsContact C-N 3.31Å; F64-D66 PolarHBondContact O-N 3.3Å; F64-Y105 HydrophobicContact CB-CD1 4.17Å; F64-Y105 HydrophobicContact CB-CE1 4.25Å; F64-Y105 WeakPolarHBondContact O-CD1 3.14Å; F64-K107 HydrophobicContact CD1-CB 4.38Å; F64-K107 HydrophobicContact CE1-CB 3.99Å; F64-P108 WeakPolarHBondContact CE1-O 2.94Å; F64-P108 WeakPolarHBondContact CZ-O 3.01Å; F64-V109 HydrophobicContact CD1-CG2 3.85Å; F64-V109 HydrophobicContact CE1-CB 4.45Å; F64-V109 HydrophobicContact CE1-CG2 3.8Å; F64-V109 HydrophobicContact CG-CG2 4.29Å; F64-V109 HydrophobicContact CZ-CB 4.49Å; F64-V109 HydrophobicContact CZ-CG2 4.19Å |
| 65 | I | 58.4 | Low | 70 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.5 | -170.5 | -60.5 | -176.6 | 0 | 0 | 0 | 112.6 | Q62 N67 Y68 | Q62-I65 HydrophobicContact CB-CD1 4.23Å; Q62-I65 HydrophobicContact CG-CD1 3.49Å; Q62-I65 VanDerWaalsContact CG-CD1 3.49Å; Q62-I65 HydrophobicContact CG-CG1 4.42Å; Q62-I65 VanDerWaalsContact O-CB 3.3Å; Q62-I65 WeakPolarHBondContact O-CB 3.35Å; Q62-I65 WeakPolarHBondContact O-CG1 3.2Å; Q62-I65 PolarHBondContact O-N 2.83Å; I65-N67 PolarHBondContact O-N 3.03Å; I65-Y68 HydrophobicContact CG2-CD1 4.45Å; I65-Y68 HydrophobicContact CG2-CE1 3.89Å; I65-Y68 WeakPolarHBondContact O-CD1 3.31Å; I65-Y68 WeakPolarHBondContact O-CE1 3.22Å |
| 66 | D | 61.6 | Low | 69.7 | Low | 139 Ų | 139 | 71.6 Ų | 71.6 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10 | -173.5 | -62 | -29.7 | 0 | 0 | 0 | 114.8 | F64 | F64-D66 VanDerWaalsContact C-N 3.31Å; F64-D66 PolarHBondContact O-N 3.3Å |
| 67 | N | 69.9 | Low | 69.5 | Low | 90 Ų | 90 | 73.5 Ų | 73.5 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -140 | 71.3 | -179.6 | -75.4 | -31.5 | 0 | 0 | 0 | 112.6 | I65 S106 | I65-N67 PolarHBondContact O-N 3.03Å; N67-S106 VanDerWaalsContact CB-OG 3.31Å; N67-S106 WeakPolarHBondContact CB-OG 3.06Å; N67-S106 PolarHBondContact O-N 3.42Å |
| 68 | Y | 75.8 | Confident | 69.3 | Low | 109 Ų | 109 | 73 Ų | 73 | 43% | 0.427 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 154.6 | 172 | 69.6 | -88.5 | 0 | 0 | 0 | 113.2 | I65 L70 T103 L104 | I65-Y68 HydrophobicContact CG2-CD1 4.45Å; I65-Y68 HydrophobicContact CG2-CE1 3.89Å; I65-Y68 WeakPolarHBondContact O-CD1 3.31Å; I65-Y68 WeakPolarHBondContact O-CE1 3.22Å; Y68-L70 HydrophobicContact CD2-CD2 3.72Å; Y68-L70 HydrophobicContact CD2-CG 3.86Å; Y68-L70 HydrophobicContact CE2-CD1 3.97Å; Y68-L70 HydrophobicContact CE2-CD2 3.59Å; Y68-L70 HydrophobicContact CE2-CG 3.58Å; Y68-T103 HydrophobicContact CD1-CG2 4.42Å; Y68-T103 HydrophobicContact CD2-CG2 3.63Å; Y68-T103 HydrophobicContact CE2-CG2 4.46Å; Y68-T103 HydrophobicContact CG-CG2 3.61Å; Y68-L104 CarbonylContact C-O 3.52Å; Y68-L104 WeakPolarHBondContact CA-O 3.24Å; Y68-L104 WeakPolarHBondContact CB-O 2.86Å |
| 69 | T | 81.4 | Confident | 69.3 | Low | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 139.6 | 164.7 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | N86 L104 | T69-N86 PolarHBondContact OG1-ND2 3.01Å; T69-L104 PolarHBondContact N-O 3.14Å; T69-L104 WeakPolarHBondContact O-CB 3.06Å; T69-L104 PolarHBondContact O-N 3.3Å; T69-L104 WeakPolarHBondContact OG1-CB 3.43Å |
| 70 | L | 82.3 | Confident | 69.3 | Low | 93 Ų | 93 | 71.3 Ų | 71.3 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.5 | 174.7 | -64 | 171.2 | 0 | 0 | 0 | 109.8 | Y68 Q101 C102 T103 | Y68-L70 HydrophobicContact CD2-CD2 3.72Å; Y68-L70 HydrophobicContact CD2-CG 3.86Å; Y68-L70 HydrophobicContact CE2-CD1 3.97Å; Y68-L70 HydrophobicContact CE2-CD2 3.59Å; Y68-L70 HydrophobicContact CE2-CG 3.58Å; L70-Q101 HydrophobicContact CD2-CG 4.31Å; L70-C102 WeakPolarHBondContact CA-O 3.08Å; L70-T103 HydrophobicContact CD2-CG2 4.37Å |
| 71 | S | 78.2 | Confident | 69.2 | Low | 24 Ų | 24 | 73.3 Ų | 73.3 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150.4 | 169.3 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | E82 Q101 C102 | S71-E82 PolarHBondContact OG-OE2 3.46Å; S71-Q101 CarbonylContact O-C 3.5Å; S71-Q101 WeakPolarHBondContact O-CA 3.19Å; S71-C102 PolarHBondContact N-O 3.19Å; S71-C102 PolarHBondContact O-N 3.01Å |
| 72 | V | 80.2 | Confident | 69.5 | Low | 125 Ų | 125 | 71.5 Ų | 71.5 | 76% | 0.758 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.1 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 108 | T100 | V72-T100 CarbonylContact C-O 3.57Å; V72-T100 VanDerWaalsContact CA-O 3.29Å; V72-T100 WeakPolarHBondContact CA-O 3.3Å; V72-T100 WeakPolarHBondContact CG1-O 3.37Å |
| 73 | V | 72 | Confident | 70.5 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | trans | -136.6 | -176.8 | -178.8 | -56 | 0 | 0 | 0 | 0 | 112.7 | T75 C79 E82 P99 T100 C102 | V73-T75 VanDerWaalsContact CG2-O 3.26Å; V73-T75 WeakPolarHBondContact CG2-O 3Å; V73-C79 VanDerWaalsContact CG2-SG 3.55Å; V73-E82 HydrophobicContact CG1-CG 3.39Å; V73-P99 CarbonylContact C-O 3.59Å; V73-P99 WeakPolarHBondContact CG2-O 3.38Å; V73-T100 PolarHBondContact N-O 2.97Å; V73-T100 CarbonylContact O-C 3.56Å; V73-T100 WeakPolarHBondContact O-CA 3.41Å; V73-C102 WeakPolarHBondContact CG1-SG 3.43Å; V73-C102 WeakPolarHBondContact CG2-SG 3.34Å | ||
| 74 | R | 67 | Low | 71.5 | Confident | 224 Ų | 224 | 62.1 Ų | 62.1 | 85% | 0.845 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -105.3 | -23.6 | 177.7 | -65.2 | -176.8 | 179.5 | -178.9 | 0.1 | 113.8 | P99 | R74-P99 CarbonylContact C-O 3.52Š|
| 75 | T | 66.4 | Low | 72 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -152.2 | 160 | -173 | 61 | 0 | 0 | 0 | 0 | 110.7 | V73 S77 S78 C79 | V73-T75 VanDerWaalsContact CG2-O 3.26Å; V73-T75 WeakPolarHBondContact CG2-O 3Å; T75-S77 VanDerWaalsContact C-N 3.31Å; T75-S77 PolarHBondContact O-N 2.93Å; T75-S77 PolarHBondContact OG1-OG 2.8Å; T75-S78 WeakPolarHBondContact O-CA 3.16Å; T75-S78 WeakPolarHBondContact O-CB 3.24Å; T75-S78 PolarHBondContact O-N 2.83Å; T75-S78 PolarHBondContact O-OG 3.42Å; T75-S78 PolarHBondContact OG1-N 3.21Å; T75-S78 PolarHBondContact OG1-OG 3.16Å; T75-C79 PolarHBondContact O-N 2.96Å |
| 76 | S | 64.3 | Low | 72.5 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -33.3 | 176.4 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | S78 C79 L80 E122 | S76-S78 PolarHBondContact O-N 2.87Å; S76-C79 VanDerWaalsContact O-CB 3.31Å; S76-C79 WeakPolarHBondContact O-CB 3.41Å; S76-C79 PolarHBondContact O-N 3.12Å; S76-L80 PolarHBondContact O-N 3.47Å; S76-E122 WeakPolarHBondContact CB-OE2 3.47Å; S76-E122 PolarHBondContact OG-OE2 3.04Å |
| 77 | S | 66.4 | Low | 72.9 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.1 | -33.3 | 169.8 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | T75 C79 L80 N81 | T75-S77 VanDerWaalsContact C-N 3.31Å; T75-S77 PolarHBondContact O-N 2.93Å; T75-S77 PolarHBondContact OG1-OG 2.8Å; S77-C79 VanDerWaalsContact C-N 3.33Å; S77-L80 PolarHBondContact O-N 2.85Å; S77-N81 PolarHBondContact O-N 3.48Å; S77-N81 PolarHBondContact O-ND2 2.87Å |
| 78 | S | 71.9 | Confident | 73 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 22% | 0.217 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.1 | -32.1 | 174.5 | -52 | 0 | 0 | 0 | 0 | 111.7 | T75 S76 L80 N81 E82 | T75-S78 WeakPolarHBondContact O-CA 3.16Å; T75-S78 WeakPolarHBondContact O-CB 3.24Å; T75-S78 PolarHBondContact O-N 2.83Å; T75-S78 PolarHBondContact O-OG 3.42Å; T75-S78 PolarHBondContact OG1-N 3.21Å; T75-S78 PolarHBondContact OG1-OG 3.16Å; S76-S78 PolarHBondContact O-N 2.87Å; S78-L80 PolarHBondContact O-N 2.83Å; S78-N81 WeakPolarHBondContact O-CB 3.44Å; S78-N81 PolarHBondContact O-N 2.93Å; S78-N81 VanDerWaalsContact O-N 3.15Å; S78-E82 WeakPolarHBondContact O-CG 3.4Å; S78-E82 PolarHBondContact O-N 2.76Å |
| 79 | C | 76.4 | Confident | 73 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 113.3 | V73 T75 S76 S77 N81 E82 C83 F92 S94 C102 | V73-C79 VanDerWaalsContact CG2-SG 3.55Å; T75-C79 PolarHBondContact O-N 2.96Å; S76-C79 VanDerWaalsContact O-CB 3.31Å; S76-C79 WeakPolarHBondContact O-CB 3.41Å; S76-C79 PolarHBondContact O-N 3.12Å; S77-C79 VanDerWaalsContact C-N 3.33Å; C79-N81 VanDerWaalsContact C-N 3.28Å; C79-N81 PolarHBondContact O-N 3.06Å; C79-E82 PolarHBondContact O-N 3.44Å; C79-C83 WeakPolarHBondContact O-CB 3.2Å; C79-C83 PolarHBondContact O-N 3.04Å; C79-F92 HydrophobicContact CB-CD2 3.49Å; C79-F92 VanDerWaalsContact CB-CD2 3.49Å; C79-F92 HydrophobicContact CB-CE2 3.87Å; C79-F92 HydrophobicContact CB-CG 4.16Å; C79-S94 VanDerWaalsContact SG-CB 3.51Å; C79-C102 WeakPolarHBondContact CA-SG 3.11Å; C79-C102 HydrophobicContact CB-CB 3.75Å; C79-C102 WeakPolarHBondContact CB-SG 3.39Å; C79-C102 VanDerWaalsContact SG-CA 3.55Å; C79-C102 WeakPolarHBondContact SG-CB 3.07Å; C79-C102 CovalentContact SG-SG 2.02Å; C79-C102 PolarHBondContact SG-SG 3.34Å |
| 80 | L | 76.7 | Confident | 72.9 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 171.8 | 173.8 | 62.2 | 0 | 0 | 0 | 110 | Y21 L33 W53 S76 S77 S78 C83 L84 F92 | Y21-L80 HydrophobicContact CE2-CD2 4.25Å; L33-L80 HydrophobicContact CB-CD2 4.45Å; W53-L80 HydrophobicContact CB-CD1 4.43Å; W53-L80 HydrophobicContact CD2-CD1 3.76Å; W53-L80 HydrophobicContact CE3-CD1 3.94Å; W53-L80 HydrophobicContact CG-CD1 3.98Å; S76-L80 PolarHBondContact O-N 3.47Å; S77-L80 PolarHBondContact O-N 2.85Å; S78-L80 PolarHBondContact O-N 2.83Å; L80-C83 CarbonylContact O-C 3.4Å; L80-C83 WeakPolarHBondContact O-CB 3.5Å; L80-C83 PolarHBondContact O-N 3.19Å; L80-L84 HydrophobicContact CD1-CD1 4.18Å; L80-L84 HydrophobicContact CD1-CG 4.09Å; L80-L84 HydrophobicContact CG-CD1 3.99Å; L80-L84 HydrophobicContact CG-CG 4.34Å; L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.08Å; L80-L84 PolarHBondContact O-N 3.25Å; L80-F92 HydrophobicContact CB-CE1 3.72Å; L80-F92 HydrophobicContact CB-CZ 3.72Å; L80-F92 HydrophobicContact CD1-CD1 4.48Å; L80-F92 HydrophobicContact CD1-CE1 3.64Å; L80-F92 HydrophobicContact CD1-CZ 4.35Å; L80-F92 HydrophobicContact CG-CE1 4.27Å |
| 81 | N | 70.1 | Confident | 72.9 | Confident | 52 Ų | 52 | 46 Ų | 46 | 28% | 0.278 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.3 | -44 | -179.7 | -65.6 | -26.2 | 0 | 0 | 0 | 112.4 | S77 S78 C79 C83 L84 S85 I183 | S77-N81 PolarHBondContact O-N 3.48Å; S77-N81 PolarHBondContact O-ND2 2.87Å; S78-N81 WeakPolarHBondContact O-CB 3.44Å; S78-N81 PolarHBondContact O-N 2.93Å; S78-N81 VanDerWaalsContact O-N 3.15Å; C79-N81 VanDerWaalsContact C-N 3.28Å; C79-N81 PolarHBondContact O-N 3.06Å; N81-C83 VanDerWaalsContact C-N 3.3Å; N81-C83 PolarHBondContact O-N 2.81Å; N81-L84 PolarHBondContact O-N 3.45Å; N81-S85 WeakPolarHBondContact O-CB 3.24Å; N81-S85 PolarHBondContact O-N 2.93Å; N81-I183 HydrophobicContact CB-CD1 4.08Å; N81-I183 VanDerWaalsContact ND2-CD1 3.33Å; N81-I183 WeakPolarHBondContact ND2-CD1 3.37Å |
| 82 | E | 74.4 | Confident | 73.2 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.3 | -47.2 | 172.9 | -74.2 | -59.2 | 115.3 | 0 | 0 | 110.8 | S71 V73 S78 C79 L84 S85 N86 L104 A181 | S71-E82 PolarHBondContact OG-OE2 3.46Å; V73-E82 HydrophobicContact CG1-CG 3.39Å; S78-E82 WeakPolarHBondContact O-CG 3.4Å; S78-E82 PolarHBondContact O-N 2.76Å; C79-E82 PolarHBondContact O-N 3.44Å; E82-L84 PolarHBondContact O-N 3.47Å; E82-S85 PolarHBondContact O-N 3.23Å; E82-S85 PolarHBondContact O-OG 3.5Å; E82-N86 PolarHBondContact O-N 2.68Å; E82-L104 HydrophobicContact CB-CD1 4.27Å; E82-L104 HydrophobicContact CB-CD2 4.4Å; E82-A181 WeakPolarHBondContact OE1-CB 3.36Å |
| 83 | C | 77.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.4 | -167.9 | 0 | 0 | 0 | 0 | 113 | W53 C79 L80 N81 S85 N86 C89 F92 L104 | W53-C83 HydrophobicContact CH2-CB 4.32Å; W53-C83 WeakPolarHBondContact CH2-SG 2.88Å; C79-C83 WeakPolarHBondContact O-CB 3.2Å; C79-C83 PolarHBondContact O-N 3.04Å; L80-C83 CarbonylContact O-C 3.4Å; L80-C83 WeakPolarHBondContact O-CB 3.5Å; L80-C83 PolarHBondContact O-N 3.19Å; N81-C83 VanDerWaalsContact C-N 3.3Å; N81-C83 PolarHBondContact O-N 2.81Å; C83-S85 PolarHBondContact O-N 3.4Å; C83-N86 PolarHBondContact O-N 3.31Å; C83-N86 VanDerWaalsContact O-O 3.07Å; C83-C89 WeakPolarHBondContact CA-SG 3.08Å; C83-C89 HydrophobicContact CB-CB 3.99Å; C83-C89 WeakPolarHBondContact CB-SG 3.27Å; C83-C89 WeakPolarHBondContact O-CB 2.93Å; C83-C89 WeakPolarHBondContact SG-CB 3.1Å; C83-C89 CovalentContact SG-SG 2.02Å; C83-C89 PolarHBondContact SG-SG 3.25Å; C83-F92 HydrophobicContact CB-CB 4.18Å; C83-F92 HydrophobicContact CB-CD1 3.97Å; C83-F92 HydrophobicContact CB-CG 4.4Å; C83-L104 HydrophobicContact CB-CD2 3.92Å |
| 84 | L | 72.7 | Confident | 74 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -31.4 | 175.8 | -74 | 173.1 | 0 | 0 | 0 | 112.3 | T35 W53 L80 N81 E82 K150 | T35-L84 HydrophobicContact CG2-CD1 3.9Å; W53-L84 HydrophobicContact CZ2-CD2 4.18Å; L80-L84 HydrophobicContact CD1-CD1 4.18Å; L80-L84 HydrophobicContact CD1-CG 4.09Å; L80-L84 HydrophobicContact CG-CD1 3.99Å; L80-L84 HydrophobicContact CG-CG 4.34Å; L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.08Å; L80-L84 PolarHBondContact O-N 3.25Å; N81-L84 PolarHBondContact O-N 3.45Å; E82-L84 PolarHBondContact O-N 3.47Å; L84-K150 PolarHBondContact O-NZ 3.13Å |
| 85 | S | 68 | Low | 74.7 | Confident | 18 Ų | 18 | 29 Ų | 29 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -83 | -24.4 | 179.6 | 84.1 | 0 | 0 | 0 | 0 | 114.2 | N81 E82 C83 P87 T182 | N81-S85 WeakPolarHBondContact O-CB 3.24Å; N81-S85 PolarHBondContact O-N 2.93Å; E82-S85 PolarHBondContact O-N 3.23Å; E82-S85 PolarHBondContact O-OG 3.5Å; C83-S85 PolarHBondContact O-N 3.4Å; S85-P87 WeakPolarHBondContact O-CD 3.45Å; S85-T182 VanDerWaalsContact CB-CB 3.41Å; S85-T182 WeakPolarHBondContact CB-OG1 3.27Å; S85-T182 PolarHBondContact OG-OG1 3.41Å |
| 86 | N | 69.6 | Low | 75.2 | Confident | 35 Ų | 35 | 28 Ų | 28 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | trans | -85.5 | 113 | 175 | -176.5 | -18.2 | 0 | 0 | 0 | 110 | T69 E82 C83 L88 C89 L104 | T69-N86 PolarHBondContact OG1-ND2 3.01Å; E82-N86 PolarHBondContact O-N 2.68Å; C83-N86 PolarHBondContact O-N 3.31Å; C83-N86 VanDerWaalsContact O-O 3.07Å; N86-L88 PolarHBondContact O-N 1.99Å; N86-L88 VanDerWaalsContact O-N 3.14Å; N86-L88 WeakPolarHBondContact OD1-CB 3.48Å; N86-L88 PolarHBondContact OD1-N 2.94Å; N86-C89 HydrophobicContact CB-CB 3.76Å; N86-C89 PolarHBondContact O-N 3.21Å; N86-L104 HydrophobicContact CB-CD1 4.44Å | ||
| 87 | P | 68.5 | Low | 75.6 | Confident | 87 Ų | 87 | 34.1 Ų | 34.1 | 57% | 0.565 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -19.9 | -178.8 | 27.3 | -34.8 | 0 | 0 | 0 | 113.4 | S85 | S85-P87 WeakPolarHBondContact O-CD 3.45Š|
| 88 | L | 72.6 | Confident | 75.9 | Confident | 120 Ų | 120 | 34.5 Ų | 34.5 | 63% | 0.628 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -4.7 | 175.9 | -58.9 | 177.1 | 0 | 0 | 0 | 112.6 | N86 F90 S106 | N86-L88 PolarHBondContact O-N 1.99Å; N86-L88 VanDerWaalsContact O-N 3.14Å; N86-L88 WeakPolarHBondContact OD1-CB 3.48Å; N86-L88 PolarHBondContact OD1-N 2.94Å; L88-F90 VanDerWaalsContact O-CD2 3.24Å; L88-F90 WeakPolarHBondContact O-CD2 3.49Å; L88-S106 VanDerWaalsContact O-CA 3.24Å; L88-S106 WeakPolarHBondContact O-CA 3.12Å |
| 89 | C | 76.9 | Confident | 75.7 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | trans | -89.7 | 124.8 | -176.6 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | C83 N86 S91 L104 | C83-C89 WeakPolarHBondContact CA-SG 3.08Å; C83-C89 HydrophobicContact CB-CB 3.99Å; C83-C89 WeakPolarHBondContact CB-SG 3.27Å; C83-C89 WeakPolarHBondContact O-CB 2.93Å; C83-C89 WeakPolarHBondContact SG-CB 3.1Å; C83-C89 CovalentContact SG-SG 2.02Å; C83-C89 PolarHBondContact SG-SG 3.25Å; N86-C89 HydrophobicContact CB-CB 3.76Å; N86-C89 PolarHBondContact O-N 3.21Å; C89-S91 PolarHBondContact SG-O 2.76Å; C89-L104 HydrophobicContact CB-CB 4.41Å | ||
| 90 | F | 77.5 | Confident | 75.6 | Confident | 24 Ų | 24 | 38.1 Ų | 38.1 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -115.4 | -23.2 | -179.4 | -73.4 | -97.3 | 0 | 0 | 0 | 113.2 | W53 L88 Y105 S106 P108 R126 P144 | W53-F90 WeakPolarHBondContact CH2-O 3.44Å; L88-F90 VanDerWaalsContact O-CD2 3.24Å; L88-F90 WeakPolarHBondContact O-CD2 3.49Å; F90-Y105 PolarHBondContact N-O 2.86Å; F90-S106 VanDerWaalsContact CD2-O 3.22Å; F90-S106 WeakPolarHBondContact CD2-O 3.43Å; F90-P108 HydrophobicContact CB-CB 4.3Å; F90-R126 PolarHBondContact O-N 2.82Å; F90-R126 VanDerWaalsContact O-N 3.14Å; F90-P144 HydrophobicContact CE1-CG 3.44Å; F90-P144 VanDerWaalsContact CE1-CG 3.44Å; F90-P144 HydrophobicContact CE2-CG 4.28Å; F90-P144 VanDerWaalsContact CZ-CD 3.43Å; F90-P144 HydrophobicContact CZ-CG 3.25Å |
| 91 | S | 82.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 161.3 | 173.3 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | C89 Y105 K107 V109 G124 | C89-S91 PolarHBondContact SG-O 2.76Å; S91-Y105 PolarHBondContact N-O 2.02Å; S91-Y105 PolarHBondContact O-N 2.83Å; S91-Y105 WeakPolarHBondContact OG-CB 3.1Å; S91-K107 PolarHBondContact OG-O 2.8Å; S91-V109 VanDerWaalsContact OG-CG2 3.3Å; S91-V109 WeakPolarHBondContact OG-CG2 3.43Å; S91-G124 CarbonylContact C-O 3.59Å; S91-G124 WeakPolarHBondContact CA-O 3.31Å; S91-G124 WeakPolarHBondContact CB-O 3.38Å |
| 92 | F | 84.5 | Confident | 76.3 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154 | 176.8 | 68.8 | -89.8 | 0 | 0 | 0 | 111.3 | L33 W53 C79 L80 C83 T103 L104 L123 G124 | L33-F92 HydrophobicContact CD1-CZ 4.37Å; W53-F92 HydrophobicContact CE3-CD1 4.46Å; W53-F92 HydrophobicContact CE3-CE1 4.18Å; W53-F92 AromaticContact CZ3-CD1 3.9Å; W53-F92 HydrophobicContact CZ3-CD1 3.9Å; W53-F92 HydrophobicContact CZ3-CE1 4.08Å; C79-F92 HydrophobicContact CB-CD2 3.49Å; C79-F92 VanDerWaalsContact CB-CD2 3.49Å; C79-F92 HydrophobicContact CB-CE2 3.87Å; C79-F92 HydrophobicContact CB-CG 4.16Å; L80-F92 HydrophobicContact CB-CE1 3.72Å; L80-F92 HydrophobicContact CB-CZ 3.72Å; L80-F92 HydrophobicContact CD1-CD1 4.48Å; L80-F92 HydrophobicContact CD1-CE1 3.64Å; L80-F92 HydrophobicContact CD1-CZ 4.35Å; L80-F92 HydrophobicContact CG-CE1 4.27Å; C83-F92 HydrophobicContact CB-CB 4.18Å; C83-F92 HydrophobicContact CB-CD1 3.97Å; C83-F92 HydrophobicContact CB-CG 4.4Å; F92-T103 CarbonylContact C-O 3.5Å; F92-T103 WeakPolarHBondContact CA-O 3.19Å; F92-L104 HydrophobicContact CB-CD2 3.74Å; F92-L123 CarbonylContact O-C 3.52Å; F92-L123 WeakPolarHBondContact O-CA 3.35Å; F92-L123 WeakPolarHBondContact O-CD1 3.29Å; F92-G124 VanDerWaalsContact CE1-CA 3.44Å; F92-G124 PolarHBondContact N-O 3.42Å; F92-G124 PolarHBondContact O-N 3.14Å |
| 93 | T | 87.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.5 | 164.5 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | L59 C102 T103 Y105 E122 L123 | L59-T93 HydrophobicContact CD2-CG2 4.14Å; T93-C102 WeakPolarHBondContact O-CA 2.86Å; T93-T103 PolarHBondContact N-O 3.19Å; T93-T103 PolarHBondContact O-N 2.8Å; T93-T103 WeakPolarHBondContact OG1-CB 3.34Å; T93-Y105 HydrophobicContact CG2-CE2 3.77Å; T93-Y105 WeakPolarHBondContact OG1-CE2 3.37Å; T93-Y105 PolarHBondContact OG1-OH 2.92Å; T93-E122 CarbonylContact C-O 3.57Å; T93-E122 WeakPolarHBondContact CA-O 3.34Å; T93-L123 HydrophobicContact CG2-CB 4.24Å; T93-L123 HydrophobicContact CG2-CD1 3.62Å |
| 94 | S | 83.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.9 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | C79 F121 E122 | C79-S94 VanDerWaalsContact SG-CB 3.51Å; S94-F121 CarbonylContact O-C 3.54Å; S94-F121 VanDerWaalsContact O-CA 3.27Å; S94-F121 WeakPolarHBondContact O-CA 3.46Å; S94-E122 PolarHBondContact N-O 2.94Å; S94-E122 PolarHBondContact O-N 3.04Å |
| 95 | P | 82.3 | Confident | 77.8 | Confident | 28 Ų | 28 | 38 Ų | 38 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 142.6 | 165.5 | -13.3 | 26.2 | 0 | 0 | 0 | 110 | S98 P99 Q101 A120 F121 | P95-S98 WeakPolarHBondContact CB-O 3.2Å; P95-P99 VanDerWaalsContact O-CA 3.26Å; P95-P99 WeakPolarHBondContact O-CA 3.03Å; P95-Q101 WeakPolarHBondContact CD-O 3.45Å; P95-A120 CarbonylContact C-O 3.53Å; P95-A120 VanDerWaalsContact CA-O 3.23Å; P95-A120 WeakPolarHBondContact CA-O 3.39Å; P95-F121 HydrophobicContact CB-CD1 4.47Å; P95-F121 HydrophobicContact CB-CE1 4.13Å; P95-F121 HydrophobicContact CG-CD1 4.37Å; P95-F121 HydrophobicContact CG-CE1 3.8Å; P95-F121 HydrophobicContact CG-CZ 4.42Å |
| 96 | T | 75.7 | Confident | 78.3 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -83.1 | -37.4 | -177.9 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | W57 T119 A120 E122 | W57-T96 HydrophobicContact CE3-CG2 4.1Å; W57-T96 HydrophobicContact CH2-CG2 4.1Å; W57-T96 HydrophobicContact CZ3-CG2 3.33Å; T96-T119 PolarHBondContact OG1-O 3.15Å; T96-A120 PolarHBondContact N-O 2.94Å; T96-A120 WeakPolarHBondContact OG1-CA 3.2Å; T96-A120 PolarHBondContact OG1-O 2.94Å; T96-E122 HydrophobicContact CG2-CG 3.7Å |
| 97 | D | 73.2 | Confident | 78.5 | Confident | 149 Ų | 149 | 43 Ų | 43 | 80% | 0.797 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -83.2 | -21.6 | -173.7 | -56.4 | -18.7 | 0 | 0 | 0 | 112 | ||
| 98 | S | 71.4 | Confident | 78.6 | Confident | 57 Ų | 57 | 39.7 Ų | 39.7 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | trans | -147.1 | 83.5 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | P95 T100 | P95-S98 WeakPolarHBondContact CB-O 3.2Å; S98-T100 PolarHBondContact O-N 3.03Å; S98-T100 PolarHBondContact OG-OG1 2.92Å | ||
| 99 | P | 68.2 | Low | 78.6 | Confident | 33 Ų | 33 | 34.3 Ų | 34.3 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 32.4 | -178.8 | 34.4 | -38.4 | 0 | 0 | 0 | 111.6 | V73 R74 P95 Q101 | V73-P99 CarbonylContact C-O 3.59Å; V73-P99 WeakPolarHBondContact CG2-O 3.38Å; R74-P99 CarbonylContact C-O 3.52Å; P95-P99 VanDerWaalsContact O-CA 3.26Å; P95-P99 WeakPolarHBondContact O-CA 3.03Å; P99-Q101 PolarHBondContact O-N 2.81Å |
| 100 | T | 74.5 | Confident | 78.2 | Confident | 74 Ų | 74 | 37.2 Ų | 37.2 | 45% | 0.454 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.6 | -178.5 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | V72 V73 S98 | V72-T100 CarbonylContact C-O 3.57Å; V72-T100 VanDerWaalsContact CA-O 3.29Å; V72-T100 WeakPolarHBondContact CA-O 3.3Å; V72-T100 WeakPolarHBondContact CG1-O 3.37Å; V73-T100 PolarHBondContact N-O 2.97Å; V73-T100 CarbonylContact O-C 3.56Å; V73-T100 WeakPolarHBondContact O-CA 3.41Å; S98-T100 PolarHBondContact O-N 3.03Å; S98-T100 PolarHBondContact OG-OG1 2.92Å |
| 101 | Q | 80.2 | Confident | 77.4 | Confident | 86 Ų | 86 | 36.8 Ų | 36.8 | 40% | 0.402 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.1 | -176.6 | -171.4 | 176.8 | 16.3 | 0 | 0 | 111 | L70 S71 P95 P99 | L70-Q101 HydrophobicContact CD2-CG 4.31Å; S71-Q101 CarbonylContact O-C 3.5Å; S71-Q101 WeakPolarHBondContact O-CA 3.19Å; P95-Q101 WeakPolarHBondContact CD-O 3.45Å; P99-Q101 PolarHBondContact O-N 2.81Å |
| 102 | C | 82.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 137.5 | 169.4 | -48.8 | 0 | 0 | 0 | 0 | 109.3 | L70 S71 V73 C79 T93 L104 | L70-C102 WeakPolarHBondContact CA-O 3.08Å; S71-C102 PolarHBondContact N-O 3.19Å; S71-C102 PolarHBondContact O-N 3.01Å; V73-C102 WeakPolarHBondContact CG1-SG 3.43Å; V73-C102 WeakPolarHBondContact CG2-SG 3.34Å; C79-C102 WeakPolarHBondContact CA-SG 3.11Å; C79-C102 HydrophobicContact CB-CB 3.75Å; C79-C102 WeakPolarHBondContact CB-SG 3.39Å; C79-C102 VanDerWaalsContact SG-CA 3.55Å; C79-C102 WeakPolarHBondContact SG-CB 3.07Å; C79-C102 CovalentContact SG-SG 2.02Å; C79-C102 PolarHBondContact SG-SG 3.34Å; T93-C102 WeakPolarHBondContact O-CA 2.86Å; C102-L104 HydrophobicContact CB-CD2 3.88Å; C102-L104 HydrophobicContact CB-CG 4.41Å |
| 103 | T | 86.9 | Confident | 75.6 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.4 | 161.5 | -52.4 | 0 | 0 | 0 | 0 | 107.5 | Y68 L70 F92 T93 Y105 | Y68-T103 HydrophobicContact CD1-CG2 4.42Å; Y68-T103 HydrophobicContact CD2-CG2 3.63Å; Y68-T103 HydrophobicContact CE2-CG2 4.46Å; Y68-T103 HydrophobicContact CG-CG2 3.61Å; L70-T103 HydrophobicContact CD2-CG2 4.37Å; F92-T103 CarbonylContact C-O 3.5Å; F92-T103 WeakPolarHBondContact CA-O 3.19Å; T93-T103 PolarHBondContact N-O 3.19Å; T93-T103 PolarHBondContact O-N 2.8Å; T93-T103 WeakPolarHBondContact OG1-CB 3.34Å; T103-Y105 HydrophobicContact CG2-CD1 4.33Å; T103-Y105 HydrophobicContact CG2-CE1 3.68Å; T103-Y105 HydrophobicContact CG2-CE2 3.89Å; T103-Y105 VanDerWaalsContact CG2-CZ 3.42Å; T103-Y105 WeakPolarHBondContact CG2-OH 3.23Å |
| 104 | L | 85.9 | Confident | 74.5 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.9 | -178.4 | -54.4 | -175.8 | 0 | 0 | 0 | 108.6 | Y68 T69 E82 C83 N86 C89 F92 C102 | Y68-L104 CarbonylContact C-O 3.52Å; Y68-L104 WeakPolarHBondContact CA-O 3.24Å; Y68-L104 WeakPolarHBondContact CB-O 2.86Å; T69-L104 PolarHBondContact N-O 3.14Å; T69-L104 WeakPolarHBondContact O-CB 3.06Å; T69-L104 PolarHBondContact O-N 3.3Å; T69-L104 WeakPolarHBondContact OG1-CB 3.43Å; E82-L104 HydrophobicContact CB-CD1 4.27Å; E82-L104 HydrophobicContact CB-CD2 4.4Å; C83-L104 HydrophobicContact CB-CD2 3.92Å; N86-L104 HydrophobicContact CB-CD1 4.44Å; C89-L104 HydrophobicContact CB-CB 4.41Å; F92-L104 HydrophobicContact CB-CD2 3.74Å; C102-L104 HydrophobicContact CB-CD2 3.88Å; C102-L104 HydrophobicContact CB-CG 4.41Å |
| 105 | Y | 83.4 | Confident | 74 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144 | -175.1 | -53.5 | -90.2 | 0 | 0 | 0 | 111.7 | P60 F64 F90 S91 T93 T103 K107 | P60-Y105 HydrophobicContact CG-CE1 4.23Å; P60-Y105 HydrophobicContact CG-CE2 4.26Å; F64-Y105 HydrophobicContact CB-CD1 4.17Å; F64-Y105 HydrophobicContact CB-CE1 4.25Å; F64-Y105 WeakPolarHBondContact O-CD1 3.14Å; F90-Y105 PolarHBondContact N-O 2.86Å; S91-Y105 PolarHBondContact N-O 2.02Å; S91-Y105 PolarHBondContact O-N 2.83Å; S91-Y105 WeakPolarHBondContact OG-CB 3.1Å; T93-Y105 HydrophobicContact CG2-CE2 3.77Å; T93-Y105 WeakPolarHBondContact OG1-CE2 3.37Å; T93-Y105 PolarHBondContact OG1-OH 2.92Å; T103-Y105 HydrophobicContact CG2-CD1 4.33Å; T103-Y105 HydrophobicContact CG2-CE1 3.68Å; T103-Y105 HydrophobicContact CG2-CE2 3.89Å; T103-Y105 VanDerWaalsContact CG2-CZ 3.42Å; T103-Y105 WeakPolarHBondContact CG2-OH 3.23Å; Y105-K107 PolarHBondContact O-N 3.24Å |
| 106 | S | 77.6 | Confident | 73.4 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -83.4 | 8.2 | 179.2 | 87.7 | 0 | 0 | 0 | 0 | 114.9 | N67 L88 F90 | N67-S106 VanDerWaalsContact CB-OG 3.31Å; N67-S106 WeakPolarHBondContact CB-OG 3.06Å; N67-S106 PolarHBondContact O-N 3.42Å; L88-S106 VanDerWaalsContact O-CA 3.24Å; L88-S106 WeakPolarHBondContact O-CA 3.12Å; F90-S106 VanDerWaalsContact CD2-O 3.22Å; F90-S106 WeakPolarHBondContact CD2-O 3.43Å |
| 107 | K | 74.3 | Confident | 73 | Confident | 113 Ų | 113 | 56 Ų | 56 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -138.1 | 146.3 | 179.7 | -66.6 | 179.7 | -178.9 | 172.8 | 0 | 109.2 | F64 S91 Y105 | F64-K107 HydrophobicContact CD1-CB 4.38Å; F64-K107 HydrophobicContact CE1-CB 3.99Å; S91-K107 PolarHBondContact OG-O 2.8Å; Y105-K107 PolarHBondContact O-N 3.24Å |
| 108 | P | 70.4 | Confident | 72.6 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | trans | -71.6 | 141.5 | 174.4 | 28.5 | -31.1 | 0 | 0 | 0 | 109.6 | F64 F90 P141 | F64-P108 WeakPolarHBondContact CE1-O 2.94Å; F64-P108 WeakPolarHBondContact CZ-O 3.01Å; F90-P108 HydrophobicContact CB-CB 4.3Å; P108-P141 VanDerWaalsContact CG-CA 3.49Å; P108-P141 HydrophobicContact CG-CB 3.29Å; P108-P141 HydrophobicContact CG-CG 3.88Å | ||
| 109 | V | 72.6 | Confident | 72.4 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | trans | -85.3 | 136.4 | 178.2 | 166.2 | 0 | 0 | 0 | 0 | 109.2 | P60 F64 S91 P111 F115 L123 T125 | P60-V109 HydrophobicContact CB-CB 4.49Å; P60-V109 HydrophobicContact CB-CG1 3.87Å; P60-V109 HydrophobicContact CB-CG2 3.73Å; P60-V109 HydrophobicContact CG-CG2 3.84Å; F64-V109 HydrophobicContact CD1-CG2 3.85Å; F64-V109 HydrophobicContact CE1-CB 4.45Å; F64-V109 HydrophobicContact CE1-CG2 3.8Å; F64-V109 HydrophobicContact CG-CG2 4.29Å; F64-V109 HydrophobicContact CZ-CB 4.49Å; F64-V109 HydrophobicContact CZ-CG2 4.19Å; S91-V109 VanDerWaalsContact OG-CG2 3.3Å; S91-V109 WeakPolarHBondContact OG-CG2 3.43Å; V109-P111 VanDerWaalsContact O-CD 3.22Å; V109-P111 WeakPolarHBondContact O-CD 3.33Å; V109-F115 HydrophobicContact CG1-CE1 3.55Å; V109-F115 HydrophobicContact CG1-CZ 3.89Å; V109-L123 HydrophobicContact CB-CD1 4.15Å; V109-L123 HydrophobicContact CB-CD2 4.47Å; V109-L123 HydrophobicContact CG1-CD1 4.1Å; V109-L123 HydrophobicContact CG1-CD2 3.78Å; V109-L123 HydrophobicContact CG2-CD1 4.09Å; V109-T125 PolarHBondContact N-OG1 2.84Å; V109-T125 PolarHBondContact O-OG1 3.26Å | ||
| 110 | N | 69.4 | Low | 72.9 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 35% | 0.353 | 29% | 0.286 | S | S | . | . | trans | -69.3 | 112.3 | 172 | -179.9 | -3.4 | 0 | 0 | 0 | 108.8 | L112 G113 F115 | N110-L112 PolarHBondContact O-N 3.23Å; N110-L112 VanDerWaalsContact O-N 3.11Å; N110-L112 PolarHBondContact OD1-N 3.5Å; N110-G113 PolarHBondContact O-N 2.75Å; N110-F115 WeakPolarHBondContact O-CZ 3.38Å | ||
| 111 | P | 60.8 | Low | 73.1 | Confident | 14 Ų | 14 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -3.9 | -177.7 | 31.3 | -34.3 | 0 | 0 | 0 | 113.9 | I30 I54 V109 F115 I139 | I30-P111 HydrophobicContact CD1-CB 3.83Å; I54-P111 HydrophobicContact CD1-CB 3.61Å; I54-P111 HydrophobicContact CD1-CG 3.8Å; V109-P111 VanDerWaalsContact O-CD 3.22Å; V109-P111 WeakPolarHBondContact O-CD 3.33Å; P111-F115 WeakPolarHBondContact O-CE2 3.04Å; P111-I139 HydrophobicContact CG-CB 4.31Å; P111-I139 HydrophobicContact CG-CD1 3.62Å; P111-I139 HydrophobicContact CG-CG1 4.08Å |
| 112 | L | 61.7 | Low | 73.1 | Confident | 73 Ų | 73 | 51 Ų | 51 | 38% | 0.382 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 2.3 | 172.4 | -58 | -177.8 | 0 | 0 | 0 | 113.2 | N110 G136 N137 | N110-L112 PolarHBondContact O-N 3.23Å; N110-L112 VanDerWaalsContact O-N 3.11Å; N110-L112 PolarHBondContact OD1-N 3.5Å; L112-G136 WeakPolarHBondContact CD1-O 3.37Å; L112-N137 WeakPolarHBondContact CD1-O 3.45Å |
| 113 | G | 65.8 | Low | 73 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 26% | 0.258 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -64.9 | 165.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | N110 F115 | N110-G113 PolarHBondContact O-N 2.75Å; G113-F115 VanDerWaalsContact O-CD2 3.27Å; G113-F115 WeakPolarHBondContact O-CD2 3.47Å; G113-F115 WeakPolarHBondContact O-CE2 3.48Å; G113-F115 PolarHBondContact O-N 2.02Å; G113-F115 VanDerWaalsContact O-N 3.17Å |
| 114 | E | 65.2 | Low | 72.7 | Confident | 139 Ų | 139 | 50.2 Ų | 50.2 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -66 | 116.5 | 167.1 | -66.2 | -170.4 | 164.8 | 0 | 0 | 109.2 | ||
| 115 | F | 71.3 | Confident | 72.4 | Confident | 28 Ų | 28 | 50 Ų | 50 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.4 | 173.6 | -66.5 | -68.2 | 0 | 0 | 0 | 109.9 | L59 V109 N110 P111 G113 R118 L123 | L59-F115 WeakPolarHBondContact O-CA 3.25Å; V109-F115 HydrophobicContact CG1-CE1 3.55Å; V109-F115 HydrophobicContact CG1-CZ 3.89Å; N110-F115 WeakPolarHBondContact O-CZ 3.38Å; P111-F115 WeakPolarHBondContact O-CE2 3.04Å; G113-F115 VanDerWaalsContact O-CD2 3.27Å; G113-F115 WeakPolarHBondContact O-CD2 3.47Å; G113-F115 WeakPolarHBondContact O-CE2 3.48Å; G113-F115 PolarHBondContact O-N 2.02Å; G113-F115 VanDerWaalsContact O-N 3.17Å; F115-R118 HydrophobicContact CB-CG 3.95Å; F115-L123 HydrophobicContact CD1-CD2 4.26Å; F115-L123 HydrophobicContact CE1-CD2 3.42Å; F115-L123 VanDerWaalsContact CE1-CD2 3.42Å; F115-L123 HydrophobicContact CZ-CD2 3.68Å |
| 116 | Y | 70.4 | Confident | 71.9 | Confident | 122 Ų | 122 | 51.1 Ų | 51.1 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 156.2 | 170.8 | -62.5 | -78.6 | 0 | 0 | 0 | 110.2 | G58 L59 N61 R118 | G58-Y116 CarbonylContact C-O 3.36Å; G58-Y116 WeakPolarHBondContact CA-O 2.97Å; L59-Y116 PolarHBondContact N-O 3.46Å; L59-Y116 PolarHBondContact O-N 3.43Å; N61-Y116 HydrophobicContact CB-CE2 4.15Å; Y116-R118 VanDerWaalsContact C-N 3.32Å; Y116-R118 PolarHBondContact O-N 3.49Å |
| 117 | N | 67.9 | Low | 71.2 | Confident | 87 Ų | 87 | 49 Ų | 49 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | trans | 54.3 | 43.2 | 169.3 | -144.2 | 0.6 | 0 | 0 | 0 | 114.7 | L59 T119 A120 F121 | L59-N117 HydrophobicContact CD1-CB 4.28Å; N117-T119 PolarHBondContact O-N 2.85Å; N117-A120 PolarHBondContact O-N 3.36Å; N117-A120 VanDerWaalsContact O-N 3.09Å; N117-A120 WeakPolarHBondContact OD1-CB 3.31Å; N117-F121 HydrophobicContact CB-CD2 4.26Å | ||
| 118 | R | 64.6 | Low | 70.7 | Confident | 123 Ų | 123 | 45.4 Ų | 45.4 | 46% | 0.464 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -18 | -178.2 | -60.5 | -167.5 | -176.8 | -158.3 | -3.5 | 114.3 | W57 F115 Y116 | W57-R118 HydrophobicContact CB-CB 4.29Å; W57-R118 WeakPolarHBondContact CB-O 2.88Å; W57-R118 WeakPolarHBondContact O-CG 3.22Å; F115-R118 HydrophobicContact CB-CG 3.95Å; Y116-R118 VanDerWaalsContact C-N 3.32Å; Y116-R118 PolarHBondContact O-N 3.49Å |
| 119 | T | 68.2 | Low | 70 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 55% | 0.546 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -24.6 | 179.7 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | T96 N117 | T96-T119 PolarHBondContact OG1-O 3.15Å; N117-T119 PolarHBondContact O-N 2.85Å |
| 120 | A | 77.2 | Confident | 69 | Low | 19 Ų | 19 | 48.8 Ų | 48.8 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -7.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P95 T96 N117 | P95-A120 CarbonylContact C-O 3.53Å; P95-A120 VanDerWaalsContact CA-O 3.23Å; P95-A120 WeakPolarHBondContact CA-O 3.39Å; T96-A120 PolarHBondContact N-O 2.94Å; T96-A120 WeakPolarHBondContact OG1-CA 3.2Å; T96-A120 PolarHBondContact OG1-O 2.94Å; N117-A120 PolarHBondContact O-N 3.36Å; N117-A120 VanDerWaalsContact O-N 3.09Å; N117-A120 WeakPolarHBondContact OD1-CB 3.31Å |
| 121 | F | 79.9 | Confident | 68.4 | Low | 38 Ų | 38 | 46.9 Ų | 46.9 | 17% | 0.167 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 133.6 | -174 | -70.6 | -93.2 | 0 | 0 | 0 | 112.6 | W57 G58 L59 S94 P95 N117 | W57-F121 WeakPolarHBondContact CA-O 3.17Å; G58-F121 PolarHBondContact N-O 3.3Å; L59-F121 HydrophobicContact CD1-CD1 4.44Å; L59-F121 HydrophobicContact CD1-CD2 3.62Å; L59-F121 HydrophobicContact CD1-CE1 4.3Å; L59-F121 HydrophobicContact CD1-CE2 3.49Å; L59-F121 VanDerWaalsContact CD1-CE2 3.49Å; L59-F121 HydrophobicContact CD1-CG 4.12Å; L59-F121 HydrophobicContact CD1-CZ 3.85Å; L59-F121 HydrophobicContact CD2-CB 4.23Å; L59-F121 HydrophobicContact CD2-CD1 3.48Å; L59-F121 VanDerWaalsContact CD2-CD1 3.48Å; L59-F121 HydrophobicContact CD2-CD2 4.04Å; L59-F121 HydrophobicContact CD2-CE1 3.74Å; L59-F121 HydrophobicContact CD2-CE2 4.3Å; L59-F121 HydrophobicContact CD2-CG 3.63Å; L59-F121 HydrophobicContact CD2-CZ 4.16Å; L59-F121 HydrophobicContact CG-CB 4.08Å; L59-F121 HydrophobicContact CG-CD1 3.95Å; L59-F121 HydrophobicContact CG-CD2 3.53Å; L59-F121 HydrophobicContact CG-CE1 4.27Å; L59-F121 HydrophobicContact CG-CE2 3.92Å; L59-F121 HydrophobicContact CG-CG 3.56Å; L59-F121 HydrophobicContact CG-CZ 4.26Å; S94-F121 CarbonylContact O-C 3.54Å; S94-F121 VanDerWaalsContact O-CA 3.27Å; S94-F121 WeakPolarHBondContact O-CA 3.46Å; P95-F121 HydrophobicContact CB-CD1 4.47Å; P95-F121 HydrophobicContact CB-CE1 4.13Å; P95-F121 HydrophobicContact CG-CD1 4.37Å; P95-F121 HydrophobicContact CG-CE1 3.8Å; P95-F121 HydrophobicContact CG-CZ 4.42Å; N117-F121 HydrophobicContact CB-CD2 4.26Å |
| 122 | E | 79.3 | Confident | 68.2 | Low | 25 Ų | 25 | 48.2 Ų | 48.2 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 138.7 | 161.4 | -59.3 | -161.5 | 157.5 | 0 | 0 | 109.4 | Q23 W57 S76 T93 S94 T96 | Q23-E122 PolarHBondContact NE2-OE2 3.41Å; W57-E122 HydrophobicContact CE3-CG 4.36Å; W57-E122 HydrophobicContact CH2-CG 4.1Å; W57-E122 HydrophobicContact CZ3-CG 4.04Å; S76-E122 WeakPolarHBondContact CB-OE2 3.47Å; S76-E122 PolarHBondContact OG-OE2 3.04Å; T93-E122 CarbonylContact C-O 3.57Å; T93-E122 WeakPolarHBondContact CA-O 3.34Å; S94-E122 PolarHBondContact N-O 2.94Å; S94-E122 PolarHBondContact O-N 3.04Å; T96-E122 HydrophobicContact CG2-CG 3.7Å |
| 123 | L | 81.2 | Confident | 67.7 | Low | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142.4 | 175.2 | 171.9 | 76.1 | 0 | 0 | 0 | 108.8 | G55 G56 F92 T93 V109 F115 | G55-L123 CarbonylContact C-O 3.41Å; G55-L123 VanDerWaalsContact CA-O 3.24Å; G55-L123 WeakPolarHBondContact CA-O 3.36Å; G56-L123 PolarHBondContact N-O 2.76Å; G56-L123 PolarHBondContact O-N 2.97Å; F92-L123 CarbonylContact O-C 3.52Å; F92-L123 WeakPolarHBondContact O-CA 3.35Å; F92-L123 WeakPolarHBondContact O-CD1 3.29Å; T93-L123 HydrophobicContact CG2-CB 4.24Å; T93-L123 HydrophobicContact CG2-CD1 3.62Å; V109-L123 HydrophobicContact CB-CD1 4.15Å; V109-L123 HydrophobicContact CB-CD2 4.47Å; V109-L123 HydrophobicContact CG1-CD1 4.1Å; V109-L123 HydrophobicContact CG1-CD2 3.78Å; V109-L123 HydrophobicContact CG2-CD1 4.09Å; F115-L123 HydrophobicContact CD1-CD2 4.26Å; F115-L123 HydrophobicContact CE1-CD2 3.42Å; F115-L123 VanDerWaalsContact CE1-CD2 3.42Å; F115-L123 HydrophobicContact CZ-CD2 3.68Å |
| 124 | G | 80.7 | Confident | 67.1 | Low | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I54 S91 F92 | I54-G124 CarbonylContact O-C 3.52Å; I54-G124 WeakPolarHBondContact O-CA 2.77Å; S91-G124 CarbonylContact C-O 3.59Å; S91-G124 WeakPolarHBondContact CA-O 3.31Å; S91-G124 WeakPolarHBondContact CB-O 3.38Å; F92-G124 VanDerWaalsContact CE1-CA 3.44Å; F92-G124 PolarHBondContact N-O 3.42Å; F92-G124 PolarHBondContact O-N 3.14Å |
| 125 | T | 79.4 | Confident | 66.4 | Low | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.9 | 178.8 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | W53 I54 V109 | W53-T125 WeakPolarHBondContact CA-O 3.24Å; W53-T125 VanDerWaalsContact CE3-C 3.43Å; I54-T125 HydrophobicContact CD1-CG2 3.79Å; I54-T125 HydrophobicContact CG1-CG2 3.61Å; I54-T125 WeakPolarHBondContact CG1-O 3.43Å; I54-T125 PolarHBondContact N-O 3.36Å; I54-T125 PolarHBondContact O-N 2.94Å; V109-T125 PolarHBondContact N-OG1 2.84Å; V109-T125 PolarHBondContact O-OG1 3.26Å |
| 126 | R | 72.3 | Confident | 65.1 | Low | 35 Ų | 35 | 53.9 Ų | 53.9 | 13% | 0.132 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 139.8 | 172.9 | -69.8 | -178.7 | -178.4 | -112 | -0 | 111.4 | S51 K52 W53 F90 | S51-R126 PolarHBondContact OG-NH1 2.03Å; K52-R126 CarbonylContact O-C 3.55Å; K52-R126 WeakPolarHBondContact O-CA 3.14Å; W53-R126 HydrophobicContact CD2-CG 3.84Å; W53-R126 VanDerWaalsContact CE2-CG 3.42Å; W53-R126 HydrophobicContact CE3-CG 4.21Å; W53-R126 HydrophobicContact CG-CG 4.49Å; W53-R126 HydrophobicContact CH2-CG 3.73Å; W53-R126 HydrophobicContact CZ2-CG 3.41Å; W53-R126 VanDerWaalsContact CZ2-CG 3.41Å; W53-R126 HydrophobicContact CZ3-CG 4.15Å; F90-R126 PolarHBondContact O-N 2.82Å; F90-R126 VanDerWaalsContact O-N 3.14Å |
| 127 | I | 63.6 | Low | 64 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.3 | 169.6 | 59.8 | 161.9 | 0 | 0 | 0 | 110.6 | S51 K52 I54 I132 I135 I139 | S51-I127 CarbonylContact C-O 3.6Å; S51-I127 WeakPolarHBondContact CA-O 3.24Å; S51-I127 WeakPolarHBondContact CB-O 3.46Å; K52-I127 HydrophobicContact CB-CG1 4.41Å; K52-I127 PolarHBondContact N-O 3.33Å; K52-I127 PolarHBondContact O-N 3.25Å; I54-I127 HydrophobicContact CD1-CG2 3.44Å; I54-I127 VanDerWaalsContact CD1-CG2 3.44Å; I54-I127 HydrophobicContact CG1-CG1 4.41Å; I54-I127 HydrophobicContact CG1-CG2 3.73Å; I54-I127 HydrophobicContact CG2-CD1 3.43Å; I54-I127 VanDerWaalsContact CG2-CD1 3.43Å; I54-I127 HydrophobicContact CG2-CG1 3.85Å; I127-I132 HydrophobicContact CD1-CG1 3.73Å; I127-I135 HydrophobicContact CD1-CD1 4.22Å; I127-I135 HydrophobicContact CD1-CG1 4.28Å; I127-I139 HydrophobicContact CB-CG2 4.15Å; I127-I139 HydrophobicContact CG2-CD1 4.2Å; I127-I139 HydrophobicContact CG2-CG2 3.85Å |
| 128 | C | 62.5 | Low | 63 | Low | 37 Ų | 37 | 56.1 Ų | 56.1 | 25% | 0.25 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 145.3 | 176.4 | -82 | 0 | 0 | 0 | 0 | 109.2 | A130 D131 I132 C142 | C128-A130 PolarHBondContact O-N 3.05Å; C128-D131 HydrophobicContact CB-CB 4.31Å; C128-D131 PolarHBondContact O-N 2.79Å; C128-I132 PolarHBondContact O-N 3.29Å; C128-C142 WeakPolarHBondContact CA-SG 3.21Å; C128-C142 HydrophobicContact CB-CB 4.15Å; C128-C142 WeakPolarHBondContact CB-SG 3.45Å; C128-C142 PolarHBondContact N-SG 2.94Å; C128-C142 WeakPolarHBondContact SG-CB 3.47Å; C128-C142 CovalentContact SG-SG 1.99Å; C128-C142 PolarHBondContact SG-SG 3.4Å |
| 129 | C | 55.6 | Low | 62.4 | Low | 22 Ų | 22 | 50.8 Ų | 50.8 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -57.5 | -35.4 | 172.5 | -78.5 | 0 | 0 | 0 | 0 | 112.4 | C48 Y50 D131 I132 | C48-C129 HydrophobicContact CB-CB 3.6Å; Y50-C129 WeakPolarHBondContact O-CB 3.29Å; Y50-C129 PolarHBondContact O-N 2.99Å; Y50-C129 PolarHBondContact O-SG 3.23Å; Y50-C129 VanDerWaalsContact O-SG 3.34Å; C129-D131 PolarHBondContact O-N 3.31Å; C129-I132 HydrophobicContact CB-CD1 4.15Å; C129-I132 PolarHBondContact O-N 2.8Å |
| 130 | A | 52.1 | Low | 61.3 | Low | 74 Ų | 74 | 50 Ų | 50 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -60.6 | -32.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C128 | C128-A130 PolarHBondContact O-N 3.05Š|
| 131 | D | 57 | Low | 60.1 | Low | 26 Ų | 26 | 53.5 Ų | 53.5 | 14% | 0.139 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -91.1 | -3.2 | -176.9 | -65.4 | -27.5 | 0 | 0 | 0 | 113.6 | C128 C129 K133 N134 I135 I139 S140 | C128-D131 HydrophobicContact CB-CB 4.31Å; C128-D131 PolarHBondContact O-N 2.79Å; C129-D131 PolarHBondContact O-N 3.31Å; D131-K133 PolarHBondContact O-N 2.81Å; D131-N134 CarbonylContact O-C 3.42Å; D131-N134 WeakPolarHBondContact O-CA 3.3Å; D131-N134 WeakPolarHBondContact O-CB 3.36Å; D131-N134 PolarHBondContact O-N 2.88Å; D131-I135 PolarHBondContact O-N 2.86Å; D131-I139 HydrophobicContact CB-CG2 3.76Å; D131-S140 PolarHBondContact OD2-N 3.32Å |
| 132 | I | 55.3 | Low | 58.9 | Low | 42 Ų | 42 | 52 Ų | 52 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -59.4 | -36.1 | 175 | -65.3 | 165.9 | 0 | 0 | 0 | 110.8 | K52 I127 C128 C129 N134 I135 | K52-I132 HydrophobicContact CB-CD1 4.3Å; K52-I132 HydrophobicContact CD-CD1 3.35Å; K52-I132 HydrophobicContact CD-CG1 4.43Å; K52-I132 HydrophobicContact CG-CD1 3.79Å; I127-I132 HydrophobicContact CD1-CG1 3.73Å; C128-I132 PolarHBondContact O-N 3.29Å; C129-I132 HydrophobicContact CB-CD1 4.15Å; C129-I132 PolarHBondContact O-N 2.8Å; I132-N134 PolarHBondContact O-N 2.89Å; I132-I135 HydrophobicContact CG2-CD1 4.08Å; I132-I135 WeakPolarHBondContact O-CD1 3.36Å; I132-I135 VanDerWaalsContact O-CG1 3.26Å; I132-I135 WeakPolarHBondContact O-CG1 3.31Å; I132-I135 PolarHBondContact O-N 2.9Å |
| 133 | K | 51.9 | Low | 57.6 | Low | 198 Ų | 198 | 57.9 Ų | 57.9 | 86% | 0.861 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -70.2 | -14.2 | 176.1 | -63.6 | -175.5 | -180 | -177.8 | 0 | 112.6 | D131 | D131-K133 PolarHBondContact O-N 2.81Š|
| 134 | N | 53.5 | Low | 56 | Low | 67 Ų | 67 | 60.1 Ų | 60.1 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -106.8 | 15.3 | -178 | -60.8 | -33 | 0 | 0 | 0 | 112.4 | D131 I132 G136 N137 | D131-N134 CarbonylContact O-C 3.42Å; D131-N134 WeakPolarHBondContact O-CA 3.3Å; D131-N134 WeakPolarHBondContact O-CB 3.36Å; D131-N134 PolarHBondContact O-N 2.88Å; I132-N134 PolarHBondContact O-N 2.89Å; N134-G136 PolarHBondContact O-N 3.48Å; N134-N137 HydrophobicContact CB-CB 4.44Å; N134-N137 PolarHBondContact O-N 2.03Å |
| 135 | I | 50.7 | Low | 54.2 | Low | 71 Ų | 71 | 62.2 Ų | 62.2 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 111.6 | 173.9 | -67.7 | 167.8 | 0 | 0 | 0 | 108.4 | I30 I127 D131 I132 | I30-I135 HydrophobicContact CB-CG2 4.16Å; I30-I135 HydrophobicContact CD1-CG2 4.09Å; I30-I135 HydrophobicContact CG2-CG2 4.24Å; I127-I135 HydrophobicContact CD1-CD1 4.22Å; I127-I135 HydrophobicContact CD1-CG1 4.28Å; D131-I135 PolarHBondContact O-N 2.86Å; I132-I135 HydrophobicContact CG2-CD1 4.08Å; I132-I135 WeakPolarHBondContact O-CD1 3.36Å; I132-I135 VanDerWaalsContact O-CG1 3.26Å; I132-I135 WeakPolarHBondContact O-CG1 3.31Å; I132-I135 PolarHBondContact O-N 2.9Å |
| 136 | G | 43.8 | Very low | 52.2 | Low | 48 Ų | 48 | 68.1 Ų | 68.1 | 50% | 0.495 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 118.7 | -16.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L112 N134 | L112-G136 WeakPolarHBondContact CD1-O 3.37Å; N134-G136 PolarHBondContact O-N 3.48Å |
| 137 | N | 47.4 | Very low | 50.6 | Low | 109 Ų | 109 | 73.5 Ų | 73.5 | 58% | 0.583 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -115.6 | 165.4 | 173.3 | -68 | -37.9 | 0 | 0 | 0 | 111.6 | L112 N134 I139 | L112-N137 WeakPolarHBondContact CD1-O 3.45Å; N134-N137 HydrophobicContact CB-CB 4.44Å; N134-N137 PolarHBondContact O-N 2.03Å; N137-I139 WeakPolarHBondContact O-CG1 3.28Å; N137-I139 PolarHBondContact O-N 2.87Å |
| 138 | I | 46 | Very low | 49.4 | Very low | 147 Ų | 147 | 75.6 Ų | 75.6 | 75% | 0.754 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 117.2 | -177.7 | -59.6 | 173.3 | 0 | 0 | 0 | 110 | ||
| 139 | I | 51.9 | Low | 48.2 | Very low | 11 Ų | 11 | 76.9 Ų | 76.9 | 6% | 0.056 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 136.8 | -178.9 | -52 | -165.8 | 0 | 0 | 0 | 109.1 | P111 I127 D131 N137 | P111-I139 HydrophobicContact CG-CB 4.31Å; P111-I139 HydrophobicContact CG-CD1 3.62Å; P111-I139 HydrophobicContact CG-CG1 4.08Å; I127-I139 HydrophobicContact CB-CG2 4.15Å; I127-I139 HydrophobicContact CG2-CD1 4.2Å; I127-I139 HydrophobicContact CG2-CG2 3.85Å; D131-I139 HydrophobicContact CB-CG2 3.76Å; N137-I139 WeakPolarHBondContact O-CG1 3.28Å; N137-I139 PolarHBondContact O-N 2.87Å |
| 140 | S | 47 | Very low | 47.7 | Very low | 73 Ų | 73 | 79.7 Ų | 79.7 | 51% | 0.51 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 137.7 | 177 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | D131 C142 | D131-S140 PolarHBondContact OD2-N 3.32Å; S140-C142 PolarHBondContact O-N 3.34Å; S140-C142 PolarHBondContact O-SG 3.39Å |
| 141 | P | 51.2 | Low | 47.1 | Very low | 92 Ų | 92 | 80.8 Ų | 80.8 | 60% | 0.597 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -46.5 | 124.9 | 163.7 | -34.1 | 40.3 | 0 | 0 | 0 | 112.2 | P108 | P108-P141 VanDerWaalsContact CG-CA 3.49Å; P108-P141 HydrophobicContact CG-CB 3.29Å; P108-P141 HydrophobicContact CG-CG 3.88Å |
| 142 | C | 55.2 | Low | 46.4 | Very low | 5 Ų | 5 | 82.6 Ų | 82.6 | 3% | 0.034 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 116 | 177.1 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | C128 S140 | C128-C142 WeakPolarHBondContact CA-SG 3.21Å; C128-C142 HydrophobicContact CB-CB 4.15Å; C128-C142 WeakPolarHBondContact CB-SG 3.45Å; C128-C142 PolarHBondContact N-SG 2.94Å; C128-C142 WeakPolarHBondContact SG-CB 3.47Å; C128-C142 CovalentContact SG-SG 1.99Å; C128-C142 PolarHBondContact SG-SG 3.4Å; S140-C142 PolarHBondContact O-N 3.34Å; S140-C142 PolarHBondContact O-SG 3.39Å |
| 143 | L | 51.1 | Low | 45.5 | Very low | 149 Ų | 149 | 83.7 Ų | 83.7 | 78% | 0.78 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -61 | 147.9 | 173.7 | -70.3 | 170.9 | 0 | 0 | 0 | 109.7 | C145 | L143-C145 PolarHBondContact O-N 3.36Š|
| 144 | P | 47.3 | Very low | 44.9 | Very low | 54 Ų | 54 | 75.2 Ų | 75.2 | 35% | 0.351 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 125.9 | 175.1 | -4.6 | 23.8 | 0 | 0 | 0 | 106.4 | F90 P146 | F90-P144 HydrophobicContact CE1-CG 3.44Å; F90-P144 VanDerWaalsContact CE1-CG 3.44Å; F90-P144 HydrophobicContact CE2-CG 4.28Å; F90-P144 VanDerWaalsContact CZ-CD 3.43Å; F90-P144 HydrophobicContact CZ-CG 3.25Å; P144-P146 WeakPolarHBondContact O-CD 3.42Å; P144-P146 VanDerWaalsContact O-N 3.16Å |
| 145 | C | 42.7 | Very low | 44.3 | Very low | 45 Ų | 45 | 76.1 Ų | 76.1 | 30% | 0.304 | 44% | 0.438 | S | S | . | . | trans | -66.7 | 112.7 | 173.3 | 161.9 | 0 | 0 | 0 | 0 | 108.7 | L143 N147 C148 | L143-C145 PolarHBondContact O-N 3.36Å; C145-N147 PolarHBondContact O-N 3.25Å; C145-C148 HydrophobicContact CB-CB 3.51Å; C145-C148 WeakPolarHBondContact CB-SG 3.43Å; C145-C148 WeakPolarHBondContact O-CB 3.44Å; C145-C148 PolarHBondContact O-N 3.33Å; C145-C148 WeakPolarHBondContact SG-CB 2.89Å; C145-C148 PolarHBondContact SG-N 3.34Å; C145-C148 CovalentContact SG-SG 2.03Å; C145-C148 PolarHBondContact SG-SG 2.92Å | ||
| 146 | P | 38.7 | Very low | 43.9 | Very low | 125 Ų | 125 | 76 Ų | 76 | 81% | 0.812 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -22.8 | -173.2 | 25.1 | -32.4 | 0 | 0 | 0 | 112.7 | P144 | P144-P146 WeakPolarHBondContact O-CD 3.42Å; P144-P146 VanDerWaalsContact O-N 3.16Å |
| 147 | N | 37.7 | Very low | 43.7 | Very low | 148 Ų | 148 | 76.9 Ų | 76.9 | 79% | 0.791 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1.8 | 177.7 | -66.4 | -14.7 | 0 | 0 | 0 | 113.3 | C145 T149 | C145-N147 PolarHBondContact O-N 3.25Å; N147-T149 PolarHBondContact O-N 3.47Å |
| 148 | C | 37.9 | Very low | 43.5 | Very low | 45 Ų | 45 | 78.6 Ų | 78.6 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | trans | -82 | 111 | -174.7 | -74 | 0 | 0 | 0 | 0 | 109.6 | C145 K150 | C145-C148 HydrophobicContact CB-CB 3.51Å; C145-C148 WeakPolarHBondContact CB-SG 3.43Å; C145-C148 WeakPolarHBondContact O-CB 3.44Å; C145-C148 PolarHBondContact O-N 3.33Å; C145-C148 WeakPolarHBondContact SG-CB 2.89Å; C145-C148 PolarHBondContact SG-N 3.34Å; C145-C148 CovalentContact SG-SG 2.03Å; C145-C148 PolarHBondContact SG-SG 2.92Å; C148-K150 PolarHBondContact O-N 2.97Å | ||
| 149 | T | 38.5 | Very low | 43.4 | Very low | 64 Ų | 64 | 72.6 Ų | 72.6 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 120.8 | 174.2 | -51.5 | 0 | 0 | 0 | 0 | 108.1 | N147 L151 V160 K162 | N147-T149 PolarHBondContact O-N 3.47Å; T149-L151 PolarHBondContact O-N 2.76Å; T149-V160 HydrophobicContact CG2-CB 4.35Å; T149-V160 HydrophobicContact CG2-CG1 3.18Å; T149-K162 HydrophobicContact CG2-CG 3.96Å |
| 150 | K | 45.8 | Very low | 42.9 | Very low | 80 Ų | 80 | 76.2 Ų | 76.2 | 35% | 0.348 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 117.7 | 177.2 | -58.6 | 174.6 | -176.8 | 178.3 | 0 | 107 | L84 C148 V161 | L84-K150 PolarHBondContact O-NZ 3.13Å; C148-K150 PolarHBondContact O-N 2.97Å; K150-V161 HydrophobicContact CB-CB 4.13Å; K150-V161 PolarHBondContact O-N 3Å |
| 151 | L | 38.2 | Very low | 42.9 | Very low | 98 Ų | 98 | 73.9 Ų | 73.9 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118 | 169.4 | -68.7 | 170.8 | 0 | 0 | 0 | 107.8 | T149 Y159 V160 | T149-L151 PolarHBondContact O-N 2.76Å; L151-Y159 WeakPolarHBondContact CA-O 3.16Å; L151-V160 HydrophobicContact CD2-CG2 3.86Å |
| 152 | M | 42.5 | Very low | 42.7 | Very low | 64 Ų | 64 | 76 Ų | 76 | 32% | 0.315 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.6 | 167.8 | -71.6 | 179.7 | 63.7 | 0 | 0 | 107.6 | Y158 Y159 V161 | M152-Y158 CarbonylContact O-C 3.49Å; M152-Y158 WeakPolarHBondContact O-CA 3.2Å; M152-Y159 PolarHBondContact N-O 3.17Å; M152-Y159 PolarHBondContact O-N 3.06Å; M152-V161 HydrophobicContact CG-CG2 4.16Å; M152-V161 HydrophobicContact SD-CG2 3.88Å |
| 153 | Q | 36.9 | Very low | 42.2 | Very low | 64 Ų | 64 | 82.4 Ų | 82.4 | 30% | 0.299 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.2 | 171 | -172 | 178.5 | 11.9 | 0 | 0 | 108.3 | T157 Y158 | Q153-T157 WeakPolarHBondContact CA-O 3.44Å; Q153-Y158 HydrophobicContact CB-CD1 4.17Å; Q153-Y158 HydrophobicContact CB-CE1 4.12Å; Q153-Y158 HydrophobicContact CG-CD1 4.29Å; Q153-Y158 HydrophobicContact CG-CE1 4.03Å |
| 154 | C | 38.4 | Very low | 42.2 | Very low | 20 Ų | 20 | 78.2 Ų | 78.2 | 14% | 0.135 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.8 | 175 | -47.3 | 0 | 0 | 0 | 0 | 107.2 | Q156 T157 Y159 E190 | C154-Q156 PolarHBondContact O-N 3.48Å; C154-Q156 VanDerWaalsContact O-N 3.14Å; C154-T157 PolarHBondContact N-O 2.78Å; C154-T157 WeakPolarHBondContact O-CA 3.31Å; C154-T157 VanDerWaalsContact O-CB 3.31Å; C154-T157 WeakPolarHBondContact O-CB 3.33Å; C154-T157 PolarHBondContact O-N 2.78Å; C154-T157 VanDerWaalsContact O-O 3.08Å; C154-Y159 HydrophobicContact CB-CD2 4.21Å; C154-Y159 HydrophobicContact CB-CE2 4.08Å; C154-E190 VanDerWaalsContact CA-OE1 3.24Å; C154-E190 WeakPolarHBondContact CA-OE1 3.31Å; C154-E190 HydrophobicContact CB-CG 4.37Å; C154-E190 WeakPolarHBondContact CB-OE1 3.17Å |
| 155 | N | 41.4 | Very low | 42.7 | Very low | 87 Ų | 87 | 81 Ų | 81 | 47% | 0.465 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 39.2 | 56 | -178.7 | -156 | 19.1 | 0 | 0 | 0 | 115.3 | L16 T157 E190 | L16-N155 WeakPolarHBondContact CD2-OD1 2.96Å; N155-T157 PolarHBondContact O-N 3.03Å; N155-E190 WeakPolarHBondContact CB-OE1 3.47Å; N155-E190 PolarHBondContact N-OE1 2.85Å |
| 156 | Q | 43.3 | Very low | 43.3 | Very low | 69 Ų | 69 | 81.3 Ų | 81.3 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -2 | -175.9 | -56 | 179.4 | -13.6 | 0 | 0 | 116.7 | Y15 F17 C154 | Y15-Q156 VanDerWaalsContact O-CD 3.3Å; Y15-Q156 PolarHBondContact O-NE2 2.8Å; Y15-Q156 PolarHBondContact O-OE1 3.5Å; F17-Q156 VanDerWaalsContact N-NE2 3.17Å; C154-Q156 PolarHBondContact O-N 3.48Å; C154-Q156 VanDerWaalsContact O-N 3.14Å |
| 157 | T | 39 | Very low | 44 | Very low | 66 Ų | 66 | 79.3 Ų | 79.3 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133.9 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 110.1 | Q153 C154 N155 Y159 | Q153-T157 WeakPolarHBondContact CA-O 3.44Å; C154-T157 PolarHBondContact N-O 2.78Å; C154-T157 WeakPolarHBondContact O-CA 3.31Å; C154-T157 VanDerWaalsContact O-CB 3.31Å; C154-T157 WeakPolarHBondContact O-CB 3.33Å; C154-T157 PolarHBondContact O-N 2.78Å; C154-T157 VanDerWaalsContact O-O 3.08Å; N155-T157 PolarHBondContact O-N 3.03Å; T157-Y159 HydrophobicContact CG2-CD2 4.26Å; T157-Y159 HydrophobicContact CG2-CE1 4.37Å; T157-Y159 HydrophobicContact CG2-CE2 3.79Å |
| 158 | Y | 42.8 | Very low | 44.7 | Very low | 145 Ų | 145 | 79.1 Ų | 79.1 | 57% | 0.569 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 110.3 | 173.5 | -65.5 | -87 | 0 | 0 | 0 | 109.4 | M152 Q153 | M152-Y158 CarbonylContact O-C 3.49Å; M152-Y158 WeakPolarHBondContact O-CA 3.2Å; Q153-Y158 HydrophobicContact CB-CD1 4.17Å; Q153-Y158 HydrophobicContact CB-CE1 4.12Å; Q153-Y158 HydrophobicContact CG-CD1 4.29Å; Q153-Y158 HydrophobicContact CG-CE1 4.03Å |
| 159 | Y | 44.8 | Very low | 45.2 | Very low | 21 Ų | 21 | 85.8 Ų | 85.8 | 8% | 0.082 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.6 | 170.6 | -68.2 | -82.3 | 0 | 0 | 0 | 110 | L151 M152 C154 T157 V161 F198 | L151-Y159 WeakPolarHBondContact CA-O 3.16Å; M152-Y159 PolarHBondContact N-O 3.17Å; M152-Y159 PolarHBondContact O-N 3.06Å; C154-Y159 HydrophobicContact CB-CD2 4.21Å; C154-Y159 HydrophobicContact CB-CE2 4.08Å; T157-Y159 HydrophobicContact CG2-CD2 4.26Å; T157-Y159 HydrophobicContact CG2-CE1 4.37Å; T157-Y159 HydrophobicContact CG2-CE2 3.79Å; Y159-V161 PolarHBondContact O-N 2.97Å; Y159-F198 AromaticContact CD1-CD1 3.81Å; Y159-F198 HydrophobicContact CD1-CD1 3.81Å; Y159-F198 AromaticContact CD1-CE1 3.45Å; Y159-F198 HydrophobicContact CD1-CE1 3.45Å; Y159-F198 VanDerWaalsContact CD1-CE1 3.45Å; Y159-F198 HydrophobicContact CD2-CE1 4.44Å; Y159-F198 AromaticContact CE1-CD1 3.88Å; Y159-F198 HydrophobicContact CE1-CD1 3.88Å; Y159-F198 AromaticContact CE1-CE1 3.88Å; Y159-F198 HydrophobicContact CE1-CE1 3.88Å; Y159-F198 AromaticContact CG-CE1 3.76Å; Y159-F198 HydrophobicContact CG-CE1 3.76Å |
| 160 | V | 40.3 | Very low | 45.7 | Very low | 86 Ų | 86 | 88.8 Ų | 88.8 | 52% | 0.521 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 98.4 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | T149 L151 K162 | T149-V160 HydrophobicContact CG2-CB 4.35Å; T149-V160 HydrophobicContact CG2-CG1 3.18Å; L151-V160 HydrophobicContact CD2-CG2 3.86Å; V160-K162 HydrophobicContact CG1-CD 4.4Å; V160-K162 HydrophobicContact CG1-CG 4.21Å; V160-K162 PolarHBondContact O-N 3.11Å |
| 161 | V | 47.8 | Very low | 46 | Very low | 24 Ų | 24 | 88.9 Ų | 88.9 | 15% | 0.145 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 113 | 180 | -174.7 | 0 | 0 | 0 | 0 | 109 | K150 M152 Y159 | K150-V161 HydrophobicContact CB-CB 4.13Å; K150-V161 PolarHBondContact O-N 3Å; M152-V161 HydrophobicContact CG-CG2 4.16Å; M152-V161 HydrophobicContact SD-CG2 3.88Å; Y159-V161 PolarHBondContact O-N 2.97Å |
| 162 | K | 45.6 | Very low | 46.9 | Very low | 137 Ų | 137 | 88.1 Ų | 88.1 | 60% | 0.596 | 47% | 0.47 | S | S | * | . | trans | -120.4 | 144.2 | 173.1 | -69.3 | -175.3 | 177.8 | -177.8 | 0 | 110 | T149 V160 | T149-K162 HydrophobicContact CG2-CG 3.96Å; V160-K162 HydrophobicContact CG1-CD 4.4Å; V160-K162 HydrophobicContact CG1-CG 4.21Å; V160-K162 PolarHBondContact O-N 3.11Å | ||
| 163 | P | 46 | Very low | 47.7 | Very low | 140 Ų | 140 | 89.4 Ų | 89.4 | 91% | 0.909 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -61.5 | 137.1 | 167.8 | -17.1 | 29.9 | 0 | 0 | 0 | 110.7 | ||
| 164 | G | 51.3 | Low | 48.8 | Very low | 60 Ų | 60 | 91.7 Ų | 91.7 | 62% | 0.619 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 128.6 | 166.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | S199 | G164-S199 PolarHBondContact O-OG 3.04Š|
| 165 | L | 56.6 | Low | 49.9 | Very low | 113 Ų | 113 | 96.2 Ų | 96.2 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -94 | 141.3 | 167.7 | -70.7 | 171.2 | 0 | 0 | 0 | 108.8 | S199 I201 | L165-S199 WeakPolarHBondContact CD2-OG 3.13Å; L165-I201 HydrophobicContact CD1-CD1 4.27Å; L165-I201 HydrophobicContact CD2-CD1 4.05Å; L165-I201 HydrophobicContact CD2-CG1 3.95Å |
| 166 | P | 55.3 | Low | 51 | Low | 51 Ų | 51 | 96 Ų | 96 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -57 | 138.5 | 169.4 | -17.7 | 29.6 | 0 | 0 | 0 | 110 | F170 | P166-F170 HydrophobicContact CB-CB 4Å; P166-F170 HydrophobicContact CB-CD2 4.41Å; P166-F170 HydrophobicContact CB-CG 4.43Å |
| 167 | D | 53.9 | Low | 51.9 | Low | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -72 | 169 | 175.7 | 68.4 | 11.8 | 0 | 0 | 0 | 111.6 | K169 F170 | D167-K169 PolarHBondContact O-N 3.29Å; D167-K169 WeakPolarHBondContact OD1-CB 3.14Å; D167-K169 PolarHBondContact OD1-N 2.98Å; D167-F170 PolarHBondContact O-N 2.87Å; D167-F170 WeakPolarHBondContact OD1-CD2 3.15Å |
| 168 | N | 53.1 | Low | 52.9 | Low | 144 Ų | 144 | 97.3 Ų | 97.3 | 77% | 0.77 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -58.5 | -7.3 | -176.4 | -66.3 | -4.2 | 0 | 0 | 0 | 114.5 | F170 I171 | N168-F170 VanDerWaalsContact C-N 3.31Å; N168-I171 HydrophobicContact CB-CD1 4.31Å |
| 169 | K | 47.4 | Very low | 53.7 | Low | 185 Ų | 185 | 90.7 Ų | 90.7 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -78.8 | -14.8 | 176.8 | -60.9 | 179.9 | 176.2 | 177 | 0 | 113.2 | D167 | D167-K169 PolarHBondContact O-N 3.29Å; D167-K169 WeakPolarHBondContact OD1-CB 3.14Å; D167-K169 PolarHBondContact OD1-N 2.98Å |
| 170 | F | 50.3 | Low | 54 | Low | 128 Ų | 128 | 96.6 Ų | 96.6 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -101.4 | 1.6 | 178.4 | -70.1 | -84.9 | 0 | 0 | 0 | 113.7 | I8 P166 D167 N168 S172 | I8-F170 HydrophobicContact CD1-CB 4.45Å; I8-F170 WeakPolarHBondContact CD1-O 3.26Å; P166-F170 HydrophobicContact CB-CB 4Å; P166-F170 HydrophobicContact CB-CD2 4.41Å; P166-F170 HydrophobicContact CB-CG 4.43Å; D167-F170 PolarHBondContact O-N 2.87Å; D167-F170 WeakPolarHBondContact OD1-CD2 3.15Å; N168-F170 VanDerWaalsContact C-N 3.31Å; F170-S172 PolarHBondContact O-N 3.27Å |
| 171 | I | 50.7 | Low | 54.5 | Low | 81 Ų | 81 | 93 Ų | 93 | 42% | 0.415 | 50% | 0.495 | S | S | . | . | trans | -91.4 | 93.2 | -173.3 | -50.5 | 179.3 | 0 | 0 | 0 | 109.6 | N168 Y174 | N168-I171 HydrophobicContact CB-CD1 4.31Å; I171-Y174 HydrophobicContact CG2-CD1 3.8Å; I171-Y174 HydrophobicContact CG2-CE1 3.87Å | ||
| 172 | S | 56.9 | Low | 54.7 | Low | 82 Ų | 82 | 92.6 Ų | 92.6 | 57% | 0.573 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -92.5 | -84.2 | 160.9 | 60.2 | 0 | 0 | 0 | 0 | 109.2 | F170 | F170-S172 PolarHBondContact O-N 3.27Š|
| 173 | T | 59.7 | Low | 54.8 | Low | 92 Ų | 92 | 88.1 Ų | 88.1 | 56% | 0.564 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -124 | 149 | 173.5 | 41.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 174 | Y | 60.8 | Low | 55.6 | Low | 112 Ų | 112 | 83.7 Ų | 83.7 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | trans | -147.8 | 155.1 | 179.3 | 63.6 | -98.3 | 0 | 0 | 0 | 112.1 | F6 I171 L176 | F6-Y174 AromaticContact CD1-CD1 3.73Å; F6-Y174 HydrophobicContact CD1-CD1 3.73Å; F6-Y174 AromaticContact CD1-CD2 3.78Å; F6-Y174 HydrophobicContact CD1-CD2 3.78Å; F6-Y174 AromaticContact CD1-CG 3.24Å; F6-Y174 HydrophobicContact CD1-CG 3.24Å; F6-Y174 AromaticContact CE1-CD1 3.33Å; F6-Y174 HydrophobicContact CE1-CD1 3.33Å; F6-Y174 AromaticContact CE1-CD2 3.31Å; F6-Y174 HydrophobicContact CE1-CD2 3.31Å; F6-Y174 AromaticContact CE1-CE1 3.74Å; F6-Y174 HydrophobicContact CE1-CE1 3.74Å; F6-Y174 AromaticContact CE1-CE2 3.77Å; F6-Y174 HydrophobicContact CE1-CE2 3.77Å; F6-Y174 AromaticContact CE1-CG 3.07Å; F6-Y174 HydrophobicContact CE1-CG 3.07Å; F6-Y174 AromaticContact CE1-CZ 3.93Å; F6-Y174 HydrophobicContact CE2-CD2 4.41Å; F6-Y174 HydrophobicContact CG-CD2 4.44Å; F6-Y174 HydrophobicContact CG-CG 4.16Å; F6-Y174 HydrophobicContact CZ-CD1 4.35Å; F6-Y174 AromaticContact CZ-CD2 3.65Å; F6-Y174 HydrophobicContact CZ-CD2 3.65Å; F6-Y174 HydrophobicContact CZ-CE1 4.47Å; F6-Y174 AromaticContact CZ-CE2 3.86Å; F6-Y174 HydrophobicContact CZ-CE2 3.86Å; F6-Y174 AromaticContact CZ-CG 3.92Å; F6-Y174 HydrophobicContact CZ-CG 3.92Å; I171-Y174 HydrophobicContact CG2-CD1 3.8Å; I171-Y174 HydrophobicContact CG2-CE1 3.87Å; Y174-L176 HydrophobicContact CD2-CD1 3.46Å; Y174-L176 VanDerWaalsContact CD2-CD1 3.46Å; Y174-L176 HydrophobicContact CE2-CD1 3.12Å | ||
| 175 | F | 61.4 | Low | 55.9 | Low | 115 Ų | 115 | 80.8 Ų | 80.8 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | trans | -106 | 168.8 | 169.6 | -63.7 | -78.3 | 0 | 0 | 0 | 109.3 | L5 | L5-F175 CarbonylContact C-O 3.3Å; L5-F175 CarbonylContact O-C 3.11Å | ||
| 176 | L | 63.5 | Low | 56 | Low | 81 Ų | 81 | 75.4 Ų | 75.4 | 42% | 0.424 | 39% | 0.385 | S | S | . | . | trans | -135.1 | 101.6 | 175.8 | -106.7 | 108.4 | 0 | 0 | 0 | 105.1 | Y4 F6 Y174 | Y4-L176 HydrophobicContact CD1-CB 3.27Å; Y4-L176 HydrophobicContact CD1-CD2 3.37Å; Y4-L176 HydrophobicContact CD1-CG 3.66Å; Y4-L176 WeakPolarHBondContact CD1-O 3.17Å; Y4-L176 HydrophobicContact CD2-CD2 3.17Å; Y4-L176 HydrophobicContact CD2-CG 4.22Å; Y4-L176 HydrophobicContact CE1-CB 3.86Å; Y4-L176 HydrophobicContact CE1-CD2 3.78Å; Y4-L176 HydrophobicContact CE1-CG 4.34Å; Y4-L176 HydrophobicContact CE2-CD2 3.66Å; Y4-L176 HydrophobicContact CG-CB 3.7Å; Y4-L176 HydrophobicContact CG-CD2 2.97Å; Y4-L176 HydrophobicContact CG-CG 3.52Å; F6-L176 HydrophobicContact CE2-CD1 4.41Å; F6-L176 HydrophobicContact CZ-CD1 4.23Å; Y174-L176 HydrophobicContact CD2-CD1 3.46Å; Y174-L176 VanDerWaalsContact CD2-CD1 3.46Å; Y174-L176 HydrophobicContact CE2-CD1 3.12Å | ||
| 177 | T | 62.8 | Low | 56.2 | Low | 50 Ų | 50 | 76 Ų | 76 | 31% | 0.307 | 39% | 0.386 | S | S | . | . | trans | -115.6 | 127.9 | -180 | -52.2 | 0 | 0 | 0 | 0 | 113.4 | K3 Y4 I179 | K3-T177 CarbonylContact C-O 3.56Å; K3-T177 VanDerWaalsContact C-O 3.3Å; K3-T177 CarbonylContact O-C 3.14Å; Y4-T177 WeakPolarHBondContact CA-O 3.34Å; Y4-T177 PolarHBondContact N-O 3.27Å; T177-I179 HydrophobicContact CG2-CG2 4.35Å; T177-I179 PolarHBondContact O-N 3.35Å | ||
| 178 | K | 60.6 | Low | 56.7 | Low | 113 Ų | 113 | 75.8 Ų | 75.8 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | trans | -70.7 | 118.4 | 172 | -177.9 | 174.7 | -171.6 | 157.4 | 0 | 111.6 | M1 T2 K3 | M1-K178 WeakPolarHBondContact O-CE 3.09Å; T2-K178 HydrophobicContact CG2-CB 4.2Å; T2-K178 HydrophobicContact CG2-CD 3.86Å; T2-K178 HydrophobicContact CG2-CG 4.17Å; T2-K178 PolarHBondContact OG1-NZ 3.43Å; K3-K178 WeakPolarHBondContact O-CA 3.48Å; K3-K178 PolarHBondContact O-N 2.84Å; K3-K178 VanDerWaalsContact O-N 3.14Å | ||
| 179 | I | 58.3 | Low | 57.3 | Low | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | trans | -123.9 | 153.1 | 178.1 | 63.3 | 176 | 0 | 0 | 0 | 112.1 | K3 T177 A181 N184 C185 E188 | K3-I179 HydrophobicContact CB-CG1 3.87Å; K3-I179 HydrophobicContact CD-CG1 4.17Å; T177-I179 HydrophobicContact CG2-CG2 4.35Å; T177-I179 PolarHBondContact O-N 3.35Å; I179-A181 WeakPolarHBondContact CD1-O 3.09Å; I179-N184 HydrophobicContact CB-CB 3.72Å; I179-N184 HydrophobicContact CD1-CB 4.08Å; I179-N184 HydrophobicContact CG1-CB 4.42Å; I179-N184 HydrophobicContact CG2-CB 3.92Å; I179-C185 HydrophobicContact CD1-CB 3.55Å; I179-C185 VanDerWaalsContact CD1-N 3.26Å; I179-C185 WeakPolarHBondContact CD1-SG 3.42Å; I179-E188 HydrophobicContact CG2-CG 4.12Å | ||
| 180 | N | 51.8 | Low | 57.9 | Low | 145 Ų | 145 | 63.1 Ų | 63.1 | 78% | 0.775 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -84.4 | -33.3 | -177.3 | -68.5 | -15.4 | 0 | 0 | 0 | 112.7 | N184 | N180-N184 PolarHBondContact N-ND2 3.49Š|
| 181 | A | 51.2 | Low | 58.7 | Low | 12 Ų | 12 | 63.5 Ų | 63.5 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -133.1 | 157.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E82 I179 I183 N184 | E82-A181 WeakPolarHBondContact OE1-CB 3.36Å; I179-A181 WeakPolarHBondContact CD1-O 3.09Å; A181-I183 VanDerWaalsContact C-N 3.28Å; A181-I183 HydrophobicContact CB-CG2 4.13Å; A181-I183 PolarHBondContact O-N 3.02Å; A181-N184 VanDerWaalsContact O-CB 3.24Å; A181-N184 WeakPolarHBondContact O-CB 3.48Å; A181-N184 PolarHBondContact O-N 3.01Å; A181-N184 VanDerWaalsContact O-N 3.16Å |
| 182 | T | 51 | Low | 59.4 | Low | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.086 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -68 | -29.6 | -178.7 | -41.5 | 0 | 0 | 0 | 0 | 112.3 | S85 N184 C185 Y200 | S85-T182 VanDerWaalsContact CB-CB 3.41Å; S85-T182 WeakPolarHBondContact CB-OG1 3.27Å; S85-T182 PolarHBondContact OG-OG1 3.41Å; T182-N184 VanDerWaalsContact C-N 3.25Å; T182-N184 PolarHBondContact O-N 2.76Å; T182-C185 VanDerWaalsContact O-CB 3.29Å; T182-C185 WeakPolarHBondContact O-CB 3.36Å; T182-C185 PolarHBondContact O-N 3.2Å; T182-Y200 HydrophobicContact CG2-CD1 3.43Å; T182-Y200 VanDerWaalsContact CG2-CD1 3.43Å; T182-Y200 HydrophobicContact CG2-CD2 3.62Å; T182-Y200 HydrophobicContact CG2-CE1 3.21Å; T182-Y200 HydrophobicContact CG2-CE2 3.39Å; T182-Y200 HydrophobicContact CG2-CG 3.63Å |
| 183 | I | 48.6 | Very low | 59.8 | Low | 43 Ų | 43 | 63.1 Ų | 63.1 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -31.9 | 173.9 | -164.6 | 157.8 | 0 | 0 | 0 | 111.6 | N81 A181 C185 A186 D187 | N81-I183 HydrophobicContact CB-CD1 4.08Å; N81-I183 VanDerWaalsContact ND2-CD1 3.33Å; N81-I183 WeakPolarHBondContact ND2-CD1 3.37Å; A181-I183 VanDerWaalsContact C-N 3.28Å; A181-I183 HydrophobicContact CB-CG2 4.13Å; A181-I183 PolarHBondContact O-N 3.02Å; I183-C185 PolarHBondContact O-N 2.83Å; I183-C185 VanDerWaalsContact O-N 3.12Å; I183-A186 WeakPolarHBondContact O-CA 3.22Å; I183-A186 WeakPolarHBondContact O-CB 3.35Å; I183-A186 PolarHBondContact O-N 2.91Å; I183-D187 VanDerWaalsContact O-CG 3.27Å; I183-D187 PolarHBondContact O-N 3.24Å |
| 184 | N | 62.3 | Low | 60.1 | Low | 47 Ų | 47 | 60.2 Ų | 60.2 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.3 | -25.6 | 173.3 | -54.9 | 11.6 | 0 | 0 | 0 | 111.2 | I179 N180 A181 T182 A186 E188 | I179-N184 HydrophobicContact CB-CB 3.72Å; I179-N184 HydrophobicContact CD1-CB 4.08Å; I179-N184 HydrophobicContact CG1-CB 4.42Å; I179-N184 HydrophobicContact CG2-CB 3.92Å; N180-N184 PolarHBondContact N-ND2 3.49Å; A181-N184 VanDerWaalsContact O-CB 3.24Å; A181-N184 WeakPolarHBondContact O-CB 3.48Å; A181-N184 PolarHBondContact O-N 3.01Å; A181-N184 VanDerWaalsContact O-N 3.16Å; T182-N184 VanDerWaalsContact C-N 3.25Å; T182-N184 PolarHBondContact O-N 2.76Å; N184-A186 VanDerWaalsContact C-N 3.33Å; N184-E188 WeakPolarHBondContact O-CB 3.33Å; N184-E188 WeakPolarHBondContact O-CG 3.1Å; N184-E188 PolarHBondContact O-N 2.87Å |
| 185 | C | 57.8 | Low | 60.2 | Low | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 175 | -105.9 | 0 | 0 | 0 | 0 | 110.5 | L5 I179 T182 I183 C189 F198 | L5-C185 HydrophobicContact CD1-CB 3.75Å; L5-C185 VanDerWaalsContact CD1-O 3.24Å; L5-C185 WeakPolarHBondContact CD1-O 3.15Å; L5-C185 WeakPolarHBondContact CD1-SG 3.39Å; I179-C185 HydrophobicContact CD1-CB 3.55Å; I179-C185 VanDerWaalsContact CD1-N 3.26Å; I179-C185 WeakPolarHBondContact CD1-SG 3.42Å; T182-C185 VanDerWaalsContact O-CB 3.29Å; T182-C185 WeakPolarHBondContact O-CB 3.36Å; T182-C185 PolarHBondContact O-N 3.2Å; I183-C185 PolarHBondContact O-N 2.83Å; I183-C185 VanDerWaalsContact O-N 3.12Å; C185-C189 WeakPolarHBondContact O-CB 3.26Å; C185-C189 PolarHBondContact O-N 2.87Å; C185-F198 HydrophobicContact CB-CD2 3.6Å; C185-F198 HydrophobicContact CB-CE2 4Å; C185-F198 HydrophobicContact CB-CG 4.21Å |
| 186 | A | 59.2 | Low | 60.3 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I183 N184 E188 C189 E190 F198 | I183-A186 WeakPolarHBondContact O-CA 3.22Å; I183-A186 WeakPolarHBondContact O-CB 3.35Å; I183-A186 PolarHBondContact O-N 2.91Å; N184-A186 VanDerWaalsContact C-N 3.33Å; A186-E188 PolarHBondContact O-N 2.72Å; A186-C189 CarbonylContact O-C 3.54Å; A186-C189 WeakPolarHBondContact O-CA 3.34Å; A186-C189 VanDerWaalsContact O-CB 3.27Å; A186-C189 WeakPolarHBondContact O-CB 3.24Å; A186-C189 PolarHBondContact O-N 3.19Å; A186-C189 VanDerWaalsContact O-N 3.13Å; A186-E190 WeakPolarHBondContact O-CG 3.2Å; A186-E190 PolarHBondContact O-N 3.31Å; A186-F198 HydrophobicContact CB-CE1 3.75Å; A186-F198 HydrophobicContact CB-CZ 3.83Å |
| 187 | D | 59.5 | Low | 60.3 | Low | 64 Ų | 64 | 52.6 Ų | 52.6 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 179.7 | -57.9 | -22.6 | 0 | 0 | 0 | 111.7 | I183 C189 E190 L191 | I183-D187 VanDerWaalsContact O-CG 3.27Å; I183-D187 PolarHBondContact O-N 3.24Å; D187-C189 VanDerWaalsContact C-N 3.3Å; D187-C189 PolarHBondContact O-N 2.82Å; D187-E190 WeakPolarHBondContact O-CB 3.34Å; D187-E190 PolarHBondContact O-N 3.22Å; D187-L191 VanDerWaalsContact O-CG 3.31Å; D187-L191 WeakPolarHBondContact O-CG 3.46Å; D187-L191 PolarHBondContact O-N 3.49Å |
| 188 | E | 63.4 | Low | 60.5 | Low | 77 Ų | 77 | 51.5 Ų | 51.5 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66 | -35.3 | 175.1 | -67.1 | -75.5 | 158.2 | 0 | 0 | 111.7 | L5 I179 N184 A186 L191 N192 | L5-E188 HydrophobicContact CD2-CB 3.42Å; L5-E188 VanDerWaalsContact CD2-CB 3.42Å; L5-E188 HydrophobicContact CD2-CG 4.46Å; I179-E188 HydrophobicContact CG2-CG 4.12Å; N184-E188 WeakPolarHBondContact O-CB 3.33Å; N184-E188 WeakPolarHBondContact O-CG 3.1Å; N184-E188 PolarHBondContact O-N 2.87Å; A186-E188 PolarHBondContact O-N 2.72Å; E188-L191 PolarHBondContact O-N 2.84Å; E188-N192 PolarHBondContact O-N 2.94Å |
| 189 | C | 65.6 | Low | 60.6 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 171.7 | -176.5 | 0 | 0 | 0 | 0 | 110 | C185 A186 D187 L191 N192 C195 F198 | C185-C189 WeakPolarHBondContact O-CB 3.26Å; C185-C189 PolarHBondContact O-N 2.87Å; A186-C189 CarbonylContact O-C 3.54Å; A186-C189 WeakPolarHBondContact O-CA 3.34Å; A186-C189 VanDerWaalsContact O-CB 3.27Å; A186-C189 WeakPolarHBondContact O-CB 3.24Å; A186-C189 PolarHBondContact O-N 3.19Å; A186-C189 VanDerWaalsContact O-N 3.13Å; D187-C189 VanDerWaalsContact C-N 3.3Å; D187-C189 PolarHBondContact O-N 2.82Å; C189-L191 PolarHBondContact O-N 2.99Å; C189-N192 CarbonylContact O-C 2.81Å; C189-N192 PolarHBondContact O-N 3.23Å; C189-C195 VanDerWaalsContact C-CB 3.5Å; C189-C195 VanDerWaalsContact CA-CB 3.48Å; C189-C195 WeakPolarHBondContact CA-SG 3.45Å; C189-C195 HydrophobicContact CB-CB 3.67Å; C189-C195 WeakPolarHBondContact CB-SG 2.89Å; C189-C195 WeakPolarHBondContact O-CB 3.46Å; C189-C195 WeakPolarHBondContact SG-CB 3.36Å; C189-C195 CovalentContact SG-SG 2Å; C189-C195 PolarHBondContact SG-SG 3.3Å; C189-F198 HydrophobicContact CB-CB 4.26Å; C189-F198 HydrophobicContact CB-CD1 4.08Å |
| 190 | E | 61.3 | Low | 60.7 | Low | 63 Ų | 63 | 49.1 Ų | 49.1 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 177 | -69.8 | -165.7 | 140.8 | 0 | 0 | 114.1 | C154 N155 A186 D187 N192 | C154-E190 VanDerWaalsContact CA-OE1 3.24Å; C154-E190 WeakPolarHBondContact CA-OE1 3.31Å; C154-E190 HydrophobicContact CB-CG 4.37Å; C154-E190 WeakPolarHBondContact CB-OE1 3.17Å; N155-E190 WeakPolarHBondContact CB-OE1 3.47Å; N155-E190 PolarHBondContact N-OE1 2.85Å; A186-E190 WeakPolarHBondContact O-CG 3.2Å; A186-E190 PolarHBondContact O-N 3.31Å; D187-E190 WeakPolarHBondContact O-CB 3.34Å; D187-E190 PolarHBondContact O-N 3.22Å; E190-N192 PolarHBondContact O-N 3.36Å |
| 191 | L | 65.6 | Low | 61 | Low | 137 Ų | 137 | 46 Ų | 46 | 72% | 0.717 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68.1 | -25 | 178.1 | -72.1 | 173.4 | 0 | 0 | 0 | 112.3 | D187 E188 C189 P193 | D187-L191 VanDerWaalsContact O-CG 3.31Å; D187-L191 WeakPolarHBondContact O-CG 3.46Å; D187-L191 PolarHBondContact O-N 3.49Å; E188-L191 PolarHBondContact O-N 2.84Å; C189-L191 PolarHBondContact O-N 2.99Å; L191-P193 WeakPolarHBondContact O-CD 3.23Å |
| 192 | N | 66.6 | Low | 61.2 | Low | 39 Ų | 39 | 49.3 Ų | 49.3 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -86.9 | 111 | 168.7 | -166.7 | -34 | 0 | 0 | 0 | 108 | I7 H9 E188 C189 E190 N194 C195 | I7-N192 HydrophobicContact CD1-CB 3.49Å; I7-N192 VanDerWaalsContact CD1-CB 3.49Å; I7-N192 HydrophobicContact CG2-CB 3.96Å; I7-N192 VanDerWaalsContact CG2-CG 3.49Å; I7-N192 WeakPolarHBondContact CG2-ND2 3.27Å; H9-N192 PolarHBondContact NE2-OD1 3.18Å; E188-N192 PolarHBondContact O-N 2.94Å; C189-N192 CarbonylContact O-C 2.81Å; C189-N192 PolarHBondContact O-N 3.23Å; E190-N192 PolarHBondContact O-N 3.36Å; N192-N194 PolarHBondContact O-N 3.48Å; N192-N194 PolarHBondContact OD1-N 2.61Å; N192-N194 PolarHBondContact OD1-ND2 3.09Å; N192-N194 VanDerWaalsContact OD1-ND2 3.13Å; N192-C195 HydrophobicContact CB-CB 4.35Å; N192-C195 PolarHBondContact O-N 3Å |
| 193 | P | 64.9 | Low | 61 | Low | 115 Ų | 115 | 53.5 Ų | 53.5 | 75% | 0.747 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -0.9 | -175.6 | 23.7 | -32.8 | 0 | 0 | 0 | 113.7 | L191 | L191-P193 WeakPolarHBondContact O-CD 3.23Š|
| 194 | N | 65.2 | Low | 60.6 | Low | 32 Ų | 32 | 61.4 Ų | 61.4 | 17% | 0.171 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | 24.6 | -177.2 | -41 | -89.7 | 0 | 0 | 0 | 112.6 | I7 I8 H9 N192 | I7-N194 WeakPolarHBondContact CG2-O 2.91Å; I8-N194 CarbonylContact C-O 3.46Å; I8-N194 CarbonylContact O-C 3.52Å; H9-N194 WeakPolarHBondContact CA-O 3.43Å; H9-N194 HydrophobicContact CB-CB 3.37Å; H9-N194 WeakPolarHBondContact CD2-CB 3.05Å; H9-N194 PolarHBondContact CD2-O 3.46Å; H9-N194 WeakPolarHBondContact CE1-CB 3.44Å; H9-N194 PolarHBondContact CE1-ND2 2.72Å; H9-N194 VanDerWaalsContact CG-CG 3.44Å; H9-N194 PolarHBondContact N-O 2.65Å; H9-N194 VanDerWaalsContact N-O 3.15Å; H9-N194 WeakPolarHBondContact ND1-CB 3.47Å; H9-N194 PolarHBondContact ND1-ND2 2.84Å; H9-N194 VanDerWaalsContact ND1-ND2 3.17Å; H9-N194 PolarHBondContact ND1-OD1 3.38Å; H9-N194 WeakPolarHBondContact NE2-CB 3.26Å; N192-N194 PolarHBondContact O-N 3.48Å; N192-N194 PolarHBondContact OD1-N 2.61Å; N192-N194 PolarHBondContact OD1-ND2 3.09Å; N192-N194 VanDerWaalsContact OD1-ND2 3.13Å |
| 195 | C | 64.6 | Low | 60.5 | Low | 13 Ų | 13 | 62.2 Ų | 62.2 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | trans | -88.5 | 117.4 | 169.9 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | I7 I8 C189 N192 T197 | I7-C195 HydrophobicContact CB-CB 3.93Å; I7-C195 HydrophobicContact CD1-CB 4.03Å; I7-C195 HydrophobicContact CG1-CB 3.92Å; I7-C195 WeakPolarHBondContact CG1-SG 3.36Å; I7-C195 HydrophobicContact CG2-CB 3.41Å; I7-C195 VanDerWaalsContact CG2-CB 3.41Å; I8-C195 CarbonylContact O-C 3.54Å; C189-C195 VanDerWaalsContact C-CB 3.5Å; C189-C195 VanDerWaalsContact CA-CB 3.48Å; C189-C195 WeakPolarHBondContact CA-SG 3.45Å; C189-C195 HydrophobicContact CB-CB 3.67Å; C189-C195 WeakPolarHBondContact CB-SG 2.89Å; C189-C195 WeakPolarHBondContact O-CB 3.46Å; C189-C195 WeakPolarHBondContact SG-CB 3.36Å; C189-C195 CovalentContact SG-SG 2Å; C189-C195 PolarHBondContact SG-SG 3.3Å; N192-C195 HydrophobicContact CB-CB 4.35Å; N192-C195 PolarHBondContact O-N 3Å; C195-T197 PolarHBondContact SG-O 3.39Å; C195-T197 VanDerWaalsContact SG-O 3.4Å | ||
| 196 | L | 62.1 | Low | 60.7 | Low | 86 Ų | 86 | 65.4 Ų | 65.4 | 45% | 0.45 | 34% | 0.341 | S | S | . | . | trans | -97 | -27.9 | 174.2 | -68.5 | 165.9 | 0 | 0 | 0 | 113.8 | I8 I10 | I8-L196 HydrophobicContact CB-CB 4.27Å; I8-L196 HydrophobicContact CB-CD1 4.31Å; I8-L196 HydrophobicContact CG2-CD1 4.04Å; I8-L196 WeakPolarHBondContact O-CB 3.49Å; I8-L196 WeakPolarHBondContact O-CD1 3.35Å; I8-L196 WeakPolarHBondContact O-CG 2.93Å; I8-L196 PolarHBondContact O-N 3.39Å; I10-L196 HydrophobicContact CB-CD1 3.94Å; I10-L196 HydrophobicContact CD1-CD1 3.67Å; I10-L196 HydrophobicContact CG1-CD1 3.64Å | ||
| 197 | T | 63.2 | Low | 60.8 | Low | 48 Ų | 48 | 69.1 Ų | 69.1 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | trans | -147.9 | 145.9 | -178.6 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | F6 I8 C195 | F6-T197 CarbonylContact C-O 3.01Å; I8-T197 HydrophobicContact CD1-CG2 3.57Å; I8-T197 HydrophobicContact CG1-CG2 4.06Å; C195-T197 PolarHBondContact SG-O 3.39Å; C195-T197 VanDerWaalsContact SG-O 3.4Å | ||
| 198 | F | 67.4 | Low | 60.8 | Low | 27 Ų | 27 | 69.4 Ų | 69.4 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | trans | -127.2 | 152 | 171 | 64.5 | -93.8 | 0 | 0 | 0 | 109.3 | L5 F6 Y159 C185 A186 C189 Y200 | L5-F198 HydrophobicContact CD1-CB 3.45Å; L5-F198 VanDerWaalsContact CD1-CB 3.45Å; L5-F198 HydrophobicContact CD1-CG 4.4Å; F6-F198 WeakPolarHBondContact O-CA 3.4Å; Y159-F198 AromaticContact CD1-CD1 3.81Å; Y159-F198 HydrophobicContact CD1-CD1 3.81Å; Y159-F198 AromaticContact CD1-CE1 3.45Å; Y159-F198 HydrophobicContact CD1-CE1 3.45Å; Y159-F198 VanDerWaalsContact CD1-CE1 3.45Å; Y159-F198 HydrophobicContact CD2-CE1 4.44Å; Y159-F198 AromaticContact CE1-CD1 3.88Å; Y159-F198 HydrophobicContact CE1-CD1 3.88Å; Y159-F198 AromaticContact CE1-CE1 3.88Å; Y159-F198 HydrophobicContact CE1-CE1 3.88Å; Y159-F198 AromaticContact CG-CE1 3.76Å; Y159-F198 HydrophobicContact CG-CE1 3.76Å; C185-F198 HydrophobicContact CB-CD2 3.6Å; C185-F198 HydrophobicContact CB-CE2 4Å; C185-F198 HydrophobicContact CB-CG 4.21Å; A186-F198 HydrophobicContact CB-CE1 3.75Å; A186-F198 HydrophobicContact CB-CZ 3.83Å; C189-F198 HydrophobicContact CB-CB 4.26Å; C189-F198 HydrophobicContact CB-CD1 4.08Å; F198-Y200 HydrophobicContact CD2-CD1 4.42Å; F198-Y200 HydrophobicContact CE2-CD1 4.24Å | ||
| 199 | S | 62.9 | Low | 60.7 | Low | 12 Ų | 12 | 68.9 Ų | 68.9 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | trans | -129.7 | 152.9 | 165.6 | -171 | 0 | 0 | 0 | 0 | 108.4 | G164 L165 | G164-S199 PolarHBondContact O-OG 3.04Å; L165-S199 WeakPolarHBondContact CD2-OG 3.13Å | ||
| 200 | Y | 60.8 | Low | 60.3 | Low | 58 Ų | 58 | 73.5 Ų | 73.5 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | trans | -134.5 | 139.3 | 174.9 | 63.4 | -86.1 | 0 | 0 | 0 | 108.9 | T182 F198 I202 | T182-Y200 HydrophobicContact CG2-CD1 3.43Å; T182-Y200 VanDerWaalsContact CG2-CD1 3.43Å; T182-Y200 HydrophobicContact CG2-CD2 3.62Å; T182-Y200 HydrophobicContact CG2-CE1 3.21Å; T182-Y200 HydrophobicContact CG2-CE2 3.39Å; T182-Y200 HydrophobicContact CG2-CG 3.63Å; F198-Y200 HydrophobicContact CD2-CD1 4.42Å; F198-Y200 HydrophobicContact CE2-CD1 4.24Å; Y200-I202 HydrophobicContact CD2-CG1 4Å; Y200-I202 HydrophobicContact CE2-CD1 4.09Å; Y200-I202 HydrophobicContact CE2-CG1 3.99Å | ||
| 201 | I | 58.8 | Low | 60.3 | Low | 80 Ų | 80 | 74.2 Ų | 74.2 | 41% | 0.41 | 39% | 0.391 | S | S | . | . | trans | -103.9 | 131.5 | 170 | -58.1 | 173.9 | 0 | 0 | 0 | 106.9 | K3 L165 | K3-I201 WeakPolarHBondContact CG-O 3.38Å; L165-I201 HydrophobicContact CD1-CD1 4.27Å; L165-I201 HydrophobicContact CD2-CD1 4.05Å; L165-I201 HydrophobicContact CD2-CG1 3.95Å | ||
| 202 | I | 55.4 | Low | 59.9 | Low | 80 Ų | 80 | 69.4 Ų | 69.4 | 41% | 0.41 | 37% | 0.366 | S | S | . | . | trans | -89.5 | 104 | 165.5 | -55.6 | 176 | 0 | 0 | 0 | 105.8 | Y200 I204 | Y200-I202 HydrophobicContact CD2-CG1 4Å; Y200-I202 HydrophobicContact CE2-CD1 4.09Å; Y200-I202 HydrophobicContact CE2-CG1 3.99Å; I202-I204 PolarHBondContact O-N 2.57Å | ||
| 203 | H | 46.7 | Very low | 59.3 | Low | 102 Ų | 102 | 71.9 Ų | 71.9 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | trans | -71 | 121.7 | 163.1 | -82.3 | -78.6 | 0 | 0 | 0 | 107.5 | M1 T2 | M1-H203 WeakPolarHBondContact CE-O 3.34Å; T2-H203 PolarHBondContact O-CD2 2.88Å | ||
| 204 | I | 39.7 | Very low | 58.8 | Low | 210 Ų | 210 | 68 Ų | 68 | 100% | 1.077 | 35% | 0.346 | S | S | * | . | trans | -79.3 | 0 | 167.6 | -58.9 | 173.3 | 0 | 0 | 0 | 108 | M1 I202 | M1-I204 WeakPolarHBondContact CE-OXT 3.22Å; I202-I204 PolarHBondContact O-N 2.57Å |
Retrieved 204 of 204 residues in 61.1 ms
(Link to these results)