| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.1 | Very low | 45 | Very low | 223 Ų | 223 | 122.8 Ų | 122.8 | 100% | 1.099 | 60% | 0.596 | S | S | * | * | 0 | -8 | 0 | -82 | -173.4 | 171.1 | 0 | 0 | 114.3 | |||||
| 2 | Y | 33.3 | Very low | 45.7 | Very low | 199 Ų | 199 | 120.8 Ų | 120.8 | 78% | 0.78 | 59% | 0.585 | S | S | * | * | trans | -93.4 | -28.6 | 177 | -84.3 | -83.4 | 0 | 0 | 0 | 115.3 | A4 Y5 | Y2-A4 PolarHBondContact O-N 3.16Å; Y2-Y5 PolarHBondContact O-N 2.65Å | ||
| 3 | S | 39.6 | Very low | 46.1 | Very low | 76 Ų | 76 | 119.6 Ų | 119.6 | 53% | 0.531 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57 | -44.3 | -175.4 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | Y5 Q6 D7 | S3-Y5 CarbonylContact O-C 3.52Å; S3-Y5 PolarHBondContact O-N 3.5Å; S3-Q6 CarbonylContact O-C 3.58Å; S3-Q6 WeakPolarHBondContact O-CA 3.39Å; S3-Q6 VanDerWaalsContact O-CB 3.32Å; S3-Q6 WeakPolarHBondContact O-CB 3.08Å; S3-Q6 PolarHBondContact O-N 3.1Å; S3-D7 VanDerWaalsContact C-OD2 3.22Å; S3-D7 PolarHBondContact O-N 2.96Å |
| 4 | A | 43.6 | Very low | 46.8 | Very low | 61 Ų | 61 | 119.9 Ų | 119.9 | 50% | 0.504 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.3 | 5.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y2 D7 | Y2-A4 PolarHBondContact O-N 3.16Å; A4-D7 WeakPolarHBondContact CA-OD2 3.47Å; A4-D7 PolarHBondContact N-OD2 2.89Å |
| 5 | Y | 44.4 | Very low | 47.3 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 49% | 0.49 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -99.2 | -44.6 | 161.4 | -78.4 | -102.7 | 0 | 0 | 0 | 111.5 | Y2 S3 R8 E9 | Y2-Y5 PolarHBondContact O-N 2.65Å; S3-Y5 CarbonylContact O-C 3.52Å; S3-Y5 PolarHBondContact O-N 3.5Å; Y5-R8 VanDerWaalsContact CD1-NH2 3.3Å; Y5-R8 VanDerWaalsContact CE1-NH2 3.28Å; Y5-R8 PolarHBondContact O-N 2.76Å; Y5-R8 VanDerWaalsContact O-N 3.14Å; Y5-E9 PolarHBondContact O-N 2.92Å |
| 6 | Q | 39.4 | Very low | 47.5 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -52.9 | -55.4 | 168.7 | -110.4 | 65.7 | 65.7 | 0 | 0 | 111.5 | S3 R8 E9 E10 | S3-Q6 CarbonylContact O-C 3.58Å; S3-Q6 WeakPolarHBondContact O-CA 3.39Å; S3-Q6 VanDerWaalsContact O-CB 3.32Å; S3-Q6 WeakPolarHBondContact O-CB 3.08Å; S3-Q6 PolarHBondContact O-N 3.1Å; Q6-R8 PolarHBondContact O-N 2.85Å; Q6-E9 PolarHBondContact O-N 3.38Å; Q6-E10 PolarHBondContact O-N 3.1Å |
| 7 | D | 47.1 | Very low | 47.6 | Very low | 87 Ų | 87 | 118.6 Ų | 118.6 | 47% | 0.465 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -56.9 | -16.9 | -180 | -43.4 | -30.4 | 0 | 0 | 0 | 112.7 | S3 A4 L11 | S3-D7 VanDerWaalsContact C-OD2 3.22Å; S3-D7 PolarHBondContact O-N 2.96Å; A4-D7 WeakPolarHBondContact CA-OD2 3.47Å; A4-D7 PolarHBondContact N-OD2 2.89Å; D7-L11 WeakPolarHBondContact O-CD1 3.43Å; D7-L11 PolarHBondContact O-N 3.41Å |
| 8 | R | 47.1 | Very low | 47.6 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 42% | 0.423 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -106.5 | -32.8 | -177 | -173.2 | 169.5 | 60 | 84 | 7.1 | 113.7 | Y5 Q6 E10 L11 E12 | Y5-R8 VanDerWaalsContact CD1-NH2 3.3Å; Y5-R8 VanDerWaalsContact CE1-NH2 3.28Å; Y5-R8 PolarHBondContact O-N 2.76Å; Y5-R8 VanDerWaalsContact O-N 3.14Å; Q6-R8 PolarHBondContact O-N 2.85Å; R8-E10 VanDerWaalsContact C-N 3.32Å; R8-L11 PolarHBondContact O-N 3.43Å; R8-E12 VanDerWaalsContact O-CB 3.28Å; R8-E12 WeakPolarHBondContact O-CB 3.38Å; R8-E12 PolarHBondContact O-N 3.21Å |
| 9 | E | 50 | Low | 47.5 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 55% | 0.547 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.3 | -44.3 | 164.9 | -81.5 | 175.3 | 157.5 | 0 | 0 | 108.9 | Y5 Q6 L11 E12 D13 | Y5-E9 PolarHBondContact O-N 2.92Å; Q6-E9 PolarHBondContact O-N 3.38Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 3.19Å; E9-E12 PolarHBondContact O-N 3.14Å; E9-D13 WeakPolarHBondContact O-CB 3.29Å; E9-D13 PolarHBondContact O-N 3.31Å |
| 10 | E | 53.7 | Low | 47.4 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.3 | -40.8 | 172 | -70.2 | 179.7 | 175.3 | 0 | 0 | 112.5 | Q6 R8 N14 | Q6-E10 PolarHBondContact O-N 3.1Å; R8-E10 VanDerWaalsContact C-N 3.32Å; E10-N14 WeakPolarHBondContact O-CB 3.38Å; E10-N14 VanDerWaalsContact O-CG 3.28Å; E10-N14 PolarHBondContact O-N 3Å; E10-N14 PolarHBondContact O-ND2 3.44Å |
| 11 | L | 53.9 | Low | 47.2 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 67% | 0.67 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.5 | -29.4 | 176.5 | -117.7 | 82.5 | 0 | 0 | 0 | 114.2 | D7 R8 E9 L15 | D7-L11 WeakPolarHBondContact O-CD1 3.43Å; D7-L11 PolarHBondContact O-N 3.41Å; R8-L11 PolarHBondContact O-N 3.43Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 3.19Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 PolarHBondContact O-N 3.41Å |
| 12 | E | 52.8 | Low | 47.3 | Very low | 99 Ų | 99 | 117 Ų | 117 | 46% | 0.463 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -82.3 | -40.4 | -179.6 | -162.5 | 156.7 | -164.6 | 0 | 0 | 110 | R8 E9 L15 Y16 | R8-E12 VanDerWaalsContact O-CB 3.28Å; R8-E12 WeakPolarHBondContact O-CB 3.38Å; R8-E12 PolarHBondContact O-N 3.21Å; E9-E12 PolarHBondContact O-N 3.14Å; E12-L15 WeakPolarHBondContact O-CB 3.31Å; E12-L15 PolarHBondContact O-N 3.05Å; E12-L15 VanDerWaalsContact O-N 3.12Å; E12-Y16 HydrophobicContact CG-CD2 4.46Å; E12-Y16 HydrophobicContact CG-CE2 4.4Å; E12-Y16 VanDerWaalsContact O-CD2 3.28Å; E12-Y16 WeakPolarHBondContact O-CD2 3.48Å; E12-Y16 PolarHBondContact O-N 3.48Å |
| 13 | D | 50.7 | Low | 47.9 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.6 | -46.6 | 171.4 | -72.5 | -18.8 | 0 | 0 | 0 | 111.3 | E9 L15 Y16 Q17 | E9-D13 WeakPolarHBondContact O-CB 3.29Å; E9-D13 PolarHBondContact O-N 3.31Å; D13-L15 PolarHBondContact O-N 3.06Å; D13-Y16 CarbonylContact O-C 3.45Å; D13-Y16 PolarHBondContact O-N 3.13Å; D13-Q17 PolarHBondContact O-N 3.21Å |
| 14 | N | 56.3 | Low | 48.5 | Very low | 123 Ų | 123 | 118 Ų | 118 | 66% | 0.658 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -13.2 | 172.4 | -80.3 | -59.5 | 0 | 0 | 0 | 113.9 | E10 | E10-N14 WeakPolarHBondContact O-CB 3.38Å; E10-N14 VanDerWaalsContact O-CG 3.28Å; E10-N14 PolarHBondContact O-N 3Å; E10-N14 PolarHBondContact O-ND2 3.44Å |
| 15 | L | 54.3 | Low | 48.9 | Very low | 61 Ų | 61 | 119.5 Ų | 119.5 | 32% | 0.319 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.9 | -5.6 | 175.5 | -162.2 | 125.4 | 0 | 0 | 0 | 112.9 | L11 E12 D13 K389 | L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 PolarHBondContact O-N 3.41Å; E12-L15 WeakPolarHBondContact O-CB 3.31Å; E12-L15 PolarHBondContact O-N 3.05Å; E12-L15 VanDerWaalsContact O-N 3.12Å; D13-L15 PolarHBondContact O-N 3.06Å; L15-K389 HydrophobicContact CD2-CD 4.15Å; L15-K389 VanDerWaalsContact O-CE 3.25Å; L15-K389 WeakPolarHBondContact O-CE 3.31Å; L15-K389 PolarHBondContact O-NZ 2.97Å |
| 16 | Y | 50.4 | Low | 49.3 | Very low | 154 Ų | 154 | 121 Ų | 121 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 2.1 | 177.3 | -68.8 | -72.6 | 0 | 0 | 0 | 114.7 | E12 D13 E18 | E12-Y16 HydrophobicContact CG-CD2 4.46Å; E12-Y16 HydrophobicContact CG-CE2 4.4Å; E12-Y16 VanDerWaalsContact O-CD2 3.28Å; E12-Y16 WeakPolarHBondContact O-CD2 3.48Å; E12-Y16 PolarHBondContact O-N 3.48Å; D13-Y16 CarbonylContact O-C 3.45Å; D13-Y16 PolarHBondContact O-N 3.13Å; Y16-E18 PolarHBondContact O-N 3.31Å |
| 17 | Q | 50 | Low | 50 | Low | 123 Ų | 123 | 119.1 Ų | 119.1 | 58% | 0.575 | 62% | 0.624 | S | S | * | * | trans | -45.6 | 124.1 | 170.4 | -162.8 | 81.4 | -18.1 | 0 | 0 | 109.5 | D13 D19 | D13-Q17 PolarHBondContact O-N 3.21Å; Q17-D19 PolarHBondContact O-N 2.91Å | ||
| 18 | E | 47.1 | Very low | 50.2 | Low | 188 Ų | 188 | 120.9 Ų | 120.9 | 88% | 0.879 | 63% | 0.633 | S | S | * | * | trans | -82.6 | 97.3 | 170.1 | -68.5 | -166.7 | 156.3 | 0 | 0 | 107.7 | Y16 G20 | Y16-E18 PolarHBondContact O-N 3.31Å; E18-G20 VanDerWaalsContact C-N 3.32Å; E18-G20 PolarHBondContact O-N 3.45Å | ||
| 19 | D | 45.7 | Very low | 51 | Low | 151 Ų | 151 | 119.3 Ų | 119.3 | 81% | 0.807 | 64% | 0.639 | S | S | * | * | trans | -60.3 | 93.4 | 170.7 | -55.4 | -41.1 | 0 | 0 | 0 | 108.7 | Q17 | Q17-D19 PolarHBondContact O-N 2.91Š| ||
| 20 | G | 46 | Very low | 52 | Low | 59 Ų | 59 | 120.6 Ų | 120.6 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | trans | -66.7 | 140.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E18 S22 | E18-G20 VanDerWaalsContact C-N 3.32Å; E18-G20 PolarHBondContact O-N 3.45Å; G20-S22 PolarHBondContact O-N 2.76Å | ||
| 21 | D | 43.7 | Very low | 52.8 | Low | 174 Ų | 174 | 120.1 Ų | 120.1 | 93% | 0.93 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -44.5 | 106.9 | -170.7 | -64.5 | -62.4 | 0 | 0 | 0 | 112.9 | ||
| 22 | S | 44 | Very low | 53.8 | Low | 91 Ų | 91 | 121.3 Ų | 121.3 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -154 | 130.5 | 178.2 | -162.8 | 0 | 0 | 0 | 0 | 110.5 | G20 E24 | G20-S22 PolarHBondContact O-N 2.76Å; S22-E24 VanDerWaalsContact C-N 3.28Å; S22-E24 PolarHBondContact O-N 3.25Å | ||
| 23 | D | 46.6 | Very low | 54.8 | Low | 140 Ų | 140 | 123.7 Ų | 123.7 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | trans | -83.2 | 49.7 | -165.3 | -56.3 | -76.3 | 0 | 0 | 0 | 114.4 | S25 | D23-S25 PolarHBondContact O-N 2.56Š| ||
| 24 | E | 52.2 | Low | 55.9 | Low | 158 Ų | 158 | 124.5 Ų | 124.5 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -3.4 | -177.3 | -66.6 | -162.3 | 121.8 | 0 | 0 | 114.9 | S22 E26 | S22-E24 VanDerWaalsContact C-N 3.28Å; S22-E24 PolarHBondContact O-N 3.25Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 2.9Å |
| 25 | S | 50.6 | Low | 56.6 | Low | 92 Ų | 92 | 123.5 Ų | 123.5 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.3 | -22.8 | -178.4 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | D23 S29 | D23-S25 PolarHBondContact O-N 2.56Å; S25-S29 PolarHBondContact O-OG 3.47Å |
| 26 | E | 53.3 | Low | 57.5 | Low | 155 Ų | 155 | 127.4 Ų | 127.4 | 72% | 0.724 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.7 | -41.4 | -178.1 | -58.4 | -167.8 | 152.3 | 0 | 0 | 111.8 | E24 N28 S29 E30 | E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 2.9Å; E26-N28 PolarHBondContact O-N 3.34Å; E26-S29 PolarHBondContact O-N 3.46Å; E26-E30 PolarHBondContact O-N 2.98Å; E26-E30 VanDerWaalsContact O-N 3.11Å |
| 27 | A | 54 | Low | 58.6 | Low | 64 Ų | 64 | 121.4 Ų | 121.4 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.1 | -39.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L31 | A27-L31 PolarHBondContact O-N 3.21Å |
| 28 | N | 52.6 | Low | 59.8 | Low | 124 Ų | 124 | 121.6 Ų | 121.6 | 66% | 0.663 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70 | -33.6 | 176.4 | -91.3 | -9.1 | 0 | 0 | 0 | 112.4 | E26 L31 E32 | E26-N28 PolarHBondContact O-N 3.34Å; N28-L31 PolarHBondContact O-N 3.11Å; N28-E32 PolarHBondContact O-N 3.28Å |
| 29 | S | 63.7 | Low | 60.9 | Low | 78 Ų | 78 | 118.7 Ų | 118.7 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.3 | -38.5 | 176.5 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | S25 E26 F33 | S25-S29 PolarHBondContact O-OG 3.47Å; E26-S29 PolarHBondContact O-N 3.46Å; S29-F33 VanDerWaalsContact O-CB 3.3Å; S29-F33 WeakPolarHBondContact O-CB 3.49Å; S29-F33 PolarHBondContact O-N 3.18Å |
| 30 | E | 69.5 | Low | 61.8 | Low | 145 Ų | 145 | 117 Ų | 117 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.2 | -39.9 | 174.3 | -172.6 | 172.6 | -164 | 0 | 0 | 111.7 | E26 F33 H34 | E26-E30 PolarHBondContact O-N 2.98Å; E26-E30 VanDerWaalsContact O-N 3.11Å; E30-F33 PolarHBondContact O-N 3.24Å; E30-H34 WeakPolarHBondContact O-CB 3.48Å; E30-H34 PolarHBondContact O-N 3.01Å |
| 31 | L | 71.2 | Confident | 62.6 | Low | 111 Ų | 111 | 123 Ų | 123 | 58% | 0.581 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.7 | -41.8 | 179.7 | -148.1 | 163.3 | 0 | 0 | 0 | 111.9 | A27 N28 H34 L35 | A27-L31 PolarHBondContact O-N 3.21Å; N28-L31 PolarHBondContact O-N 3.11Å; L31-H34 PolarHBondContact O-N 3.43Å; L31-L35 PolarHBondContact O-N 3.04Å |
| 32 | E | 75.9 | Confident | 63 | Low | 153 Ų | 153 | 118.9 Ų | 118.9 | 72% | 0.715 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.2 | -40.6 | 173.9 | -170.6 | 164.5 | -168 | 0 | 0 | 111.7 | N28 H34 L35 Y36 | N28-E32 PolarHBondContact O-N 3.28Å; E32-H34 PolarHBondContact O-N 3.33Å; E32-L35 PolarHBondContact O-N 3.04Å; E32-Y36 WeakPolarHBondContact O-CB 3.45Å; E32-Y36 PolarHBondContact O-N 2.88Å |
| 33 | F | 73.3 | Confident | 63.5 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.8 | -38.7 | 173.7 | -171.9 | -94 | 0 | 0 | 0 | 112.4 | S29 E30 Y36 S37 | S29-F33 VanDerWaalsContact O-CB 3.3Å; S29-F33 WeakPolarHBondContact O-CB 3.49Å; S29-F33 PolarHBondContact O-N 3.18Å; E30-F33 PolarHBondContact O-N 3.24Å; F33-Y36 PolarHBondContact O-N 3.18Å; F33-S37 WeakPolarHBondContact O-CB 3.44Å; F33-S37 PolarHBondContact O-N 3.22Å; F33-S37 PolarHBondContact O-OG 3.42Å |
| 34 | H | 74.4 | Confident | 63.5 | Low | 123 Ų | 123 | 120.6 Ų | 120.6 | 57% | 0.569 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.7 | -44.8 | 176.9 | -155 | 79.8 | 0 | 0 | 0 | 110.9 | E30 L31 E32 Y36 S37 Q38 | E30-H34 WeakPolarHBondContact O-CB 3.48Å; E30-H34 PolarHBondContact O-N 3.01Å; L31-H34 PolarHBondContact O-N 3.43Å; E32-H34 PolarHBondContact O-N 3.33Å; H34-Y36 PolarHBondContact O-N 3.05Å; H34-S37 PolarHBondContact O-N 2.91Å; H34-S37 PolarHBondContact O-OG 3.18Å; H34-Q38 WeakPolarHBondContact O-CB 3.31Å; H34-Q38 PolarHBondContact O-N 2.73Å |
| 35 | L | 71 | Confident | 62.8 | Low | 102 Ų | 102 | 119 Ų | 119 | 53% | 0.534 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.3 | -42 | 176.6 | -141.6 | 77 | 0 | 0 | 0 | 112.1 | L31 E32 Q38 L39 | L31-L35 PolarHBondContact O-N 3.04Å; E32-L35 PolarHBondContact O-N 3.04Å; L35-Q38 PolarHBondContact O-N 3.41Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.49Å |
| 36 | Y | 72.9 | Confident | 62.4 | Low | 143 Ų | 143 | 124 Ų | 124 | 56% | 0.561 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.3 | -45.8 | 175.8 | -166.9 | -92.6 | 0 | 0 | 0 | 111.6 | E32 F33 H34 Q38 L39 H40 | E32-Y36 WeakPolarHBondContact O-CB 3.45Å; E32-Y36 PolarHBondContact O-N 2.88Å; F33-Y36 PolarHBondContact O-N 3.18Å; H34-Y36 PolarHBondContact O-N 3.05Å; Y36-Q38 VanDerWaalsContact C-N 3.31Å; Y36-Q38 PolarHBondContact O-N 2.9Å; Y36-L39 PolarHBondContact O-N 2.83Å; Y36-H40 AromaticContact CD1-CD2 3.76Å; Y36-H40 AromaticContact CD2-CD2 3.88Å; Y36-H40 AromaticContact CE1-CD2 3.57Å; Y36-H40 AromaticContact CE2-CD2 3.7Å; Y36-H40 AromaticContact CE2-NE2 3.64Å; Y36-H40 AromaticContact CG-CD2 3.91Å; Y36-H40 AromaticContact CZ-CD2 3.54Å; Y36-H40 AromaticContact CZ-NE2 3.73Å; Y36-H40 PolarHBondContact O-CD2 2.71Å; Y36-H40 VanDerWaalsContact O-CD2 3.26Å; Y36-H40 PolarHBondContact O-N 2.85Å; Y36-H40 VanDerWaalsContact O-N 3.12Å |
| 37 | S | 72.9 | Confident | 61.7 | Low | 28 Ų | 28 | 122.5 Ų | 122.5 | 20% | 0.196 | 64% | 0.637 | C | S | . | * | H | α-helix | trans | -64.3 | -35.8 | 177.9 | 71 | 0 | 0 | 0 | 0 | 112.4 | F33 H34 L39 H40 Y41 | F33-S37 WeakPolarHBondContact O-CB 3.44Å; F33-S37 PolarHBondContact O-N 3.22Å; F33-S37 PolarHBondContact O-OG 3.42Å; H34-S37 PolarHBondContact O-N 2.91Å; H34-S37 PolarHBondContact O-OG 3.18Å; S37-L39 VanDerWaalsContact C-N 3.31Å; S37-L39 PolarHBondContact O-N 3.06Å; S37-H40 PolarHBondContact O-N 3.29Å; S37-Y41 WeakPolarHBondContact O-CB 3.49Å; S37-Y41 PolarHBondContact O-N 3.44Å |
| 38 | Q | 75.4 | Confident | 60.8 | Low | 126 Ų | 126 | 124.2 Ų | 124.2 | 59% | 0.589 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.5 | -27.5 | 176.7 | -170.1 | 168.2 | 41.1 | 0 | 0 | 113.3 | H34 L35 Y36 S42 | H34-Q38 WeakPolarHBondContact O-CB 3.31Å; H34-Q38 PolarHBondContact O-N 2.73Å; L35-Q38 PolarHBondContact O-N 3.41Å; Y36-Q38 VanDerWaalsContact C-N 3.31Å; Y36-Q38 PolarHBondContact O-N 2.9Å; Q38-S42 WeakPolarHBondContact O-CB 3.24Å; Q38-S42 PolarHBondContact O-OG 2.84Å |
| 39 | L | 69.8 | Low | 60.1 | Low | 128 Ų | 128 | 125.7 Ų | 125.7 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -83.6 | -25.4 | 175 | -70.4 | 170.4 | 0 | 0 | 0 | 113.5 | L35 Y36 S37 | L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.49Å; Y36-L39 PolarHBondContact O-N 2.83Å; S37-L39 VanDerWaalsContact C-N 3.31Å; S37-L39 PolarHBondContact O-N 3.06Å |
| 40 | H | 64.7 | Low | 58.7 | Low | 114 Ų | 114 | 131.3 Ų | 131.3 | 53% | 0.528 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -111.5 | -16.8 | -171.1 | -70.3 | -63.5 | 0 | 0 | 0 | 115.6 | Y36 S37 | Y36-H40 AromaticContact CD1-CD2 3.76Å; Y36-H40 AromaticContact CD2-CD2 3.88Å; Y36-H40 AromaticContact CE1-CD2 3.57Å; Y36-H40 AromaticContact CE2-CD2 3.7Å; Y36-H40 AromaticContact CE2-NE2 3.64Å; Y36-H40 AromaticContact CG-CD2 3.91Å; Y36-H40 AromaticContact CZ-CD2 3.54Å; Y36-H40 AromaticContact CZ-NE2 3.73Å; Y36-H40 PolarHBondContact O-CD2 2.71Å; Y36-H40 VanDerWaalsContact O-CD2 3.26Å; Y36-H40 PolarHBondContact O-N 2.85Å; Y36-H40 VanDerWaalsContact O-N 3.12Å; S37-H40 PolarHBondContact O-N 3.29Å |
| 41 | Y | 62.7 | Low | 57 | Low | 186 Ų | 186 | 134.9 Ų | 134.9 | 73% | 0.729 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -112.8 | 5.4 | 177.3 | -63 | -71.7 | 0 | 0 | 0 | 114.6 | S37 S43 | S37-Y41 WeakPolarHBondContact O-CB 3.49Å; S37-Y41 PolarHBondContact O-N 3.44Å; Y41-S43 PolarHBondContact O-N 3.21Å |
| 42 | S | 52.4 | Low | 55.1 | Low | 88 Ų | 88 | 139.3 Ų | 139.3 | 62% | 0.615 | 70% | 0.695 | S | S | * | * | trans | -76 | 51.9 | 176.5 | 66.4 | 0 | 0 | 0 | 0 | 113 | Q38 | Q38-S42 WeakPolarHBondContact O-CB 3.24Å; Q38-S42 PolarHBondContact O-OG 2.84Å | ||
| 43 | S | 54.8 | Low | 53.1 | Low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | -157.3 | 58.2 | -178 | -73.5 | 0 | 0 | 0 | 0 | 113 | Y41 | Y41-S43 PolarHBondContact O-N 3.21Š| ||
| 44 | N | 46.3 | Very low | 51.3 | Low | 169 Ų | 169 | 139.9 Ų | 139.9 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | trans | -177.7 | 109.3 | 147 | -98.5 | -29.1 | 0 | 0 | 0 | 112 | ||||
| 45 | S | 38.1 | Very low | 49.3 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -161.2 | 58.8 | 162.5 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 46 | E | 40.8 | Very low | 47.4 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | -92.4 | 142.1 | 160.7 | -67.6 | -142.3 | 127.8 | 0 | 0 | 111.2 | ||||
| 47 | D | 38.6 | Very low | 46.2 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | trans | 66.1 | 85.7 | 160.2 | -137.8 | 12.1 | 0 | 0 | 0 | 121.6 | K49 | D47-K49 WeakPolarHBondContact OD1-CE 3.44Å; D47-K49 IonicContact OD1-NZ 3.21Å; D47-K49 PolarHBondContact OD1-NZ 2.94Å; D47-K49 IonicContact OD2-NZ 2.85Å; D47-K49 PolarHBondContact OD2-NZ 3.48Å | ||
| 48 | A | 35.8 | Very low | 44.4 | Very low | 101 Ų | 101 | 150 Ų | 150 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -151.3 | 54.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 49 | K | 37.1 | Very low | 42.4 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | 30.8 | 121.1 | 146.5 | -71.5 | 150 | -173.3 | 131.4 | 0 | 122 | D47 | D47-K49 WeakPolarHBondContact OD1-CE 3.44Å; D47-K49 IonicContact OD1-NZ 3.21Å; D47-K49 PolarHBondContact OD1-NZ 2.94Å; D47-K49 IonicContact OD2-NZ 2.85Å; D47-K49 PolarHBondContact OD2-NZ 3.48Å | ||
| 50 | K | 35.2 | Very low | 40.6 | Very low | 197 Ų | 197 | 149.9 Ų | 149.9 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | 79.9 | 112.4 | 146 | -61.2 | 173.1 | 178.5 | 173.1 | 0 | 121.4 | ||||
| 51 | K | 33.1 | Very low | 39 | Very low | 219 Ų | 219 | 153.6 Ų | 153.6 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | -169.7 | 174 | 102.4 | -100.9 | 167.2 | -173.6 | 173.9 | 0 | 112.6 | |||||
| 52 | K | 32.7 | Very low | 37.5 | Very low | 204 Ų | 204 | 152.8 Ų | 152.8 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -99.5 | 137.2 | -163.7 | -66.3 | 176 | 175 | 177.3 | 0 | 115.1 | ||||
| 53 | S | 33.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 173.9 | 104.6 | 130.4 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 54 | K | 34.5 | Very low | 35.4 | Very low | 199 Ų | 199 | 154 Ų | 154 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | 52.7 | 96.6 | 79 | -168 | 179.6 | -179.6 | 179 | 0 | 114.9 | |||||
| 55 | I | 33.6 | Very low | 34.7 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | -169.9 | 132.5 | 127.2 | -94.5 | 151.8 | 0 | 0 | 0 | 108.3 | |||||
| 56 | E | 31.9 | Very low | 34.4 | Very low | 174 Ų | 174 | 154 Ų | 154 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -111.2 | -168.4 | 168.6 | -45.6 | -174.5 | 125.3 | 0 | 0 | 108.5 | ||||
| 57 | P | 46.8 | Very low | 34.1 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | cis | -127.4 | -160.6 | -8.1 | 23 | 5 | 0 | 0 | 0 | 111.2 | ||||
| 58 | K | 34.8 | Very low | 34.2 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 74% | 0.735 | 79% | 0.788 | S | S | * | * | cis | -164.6 | 142.6 | 33.5 | -70.7 | 175.1 | -178.4 | 177.5 | 0 | 113.3 | ||||
| 59 | I | 33.3 | Very low | 34.2 | Very low | 157 Ų | 157 | 159.5 Ų | 159.5 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | 68.3 | 143.4 | 136.3 | -64.1 | 170.8 | 0 | 0 | 0 | 116.2 | ||||
| 60 | S | 31.8 | Very low | 34 | Very low | 95 Ų | 95 | 157.4 Ų | 157.4 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | cis | -148.3 | 152.7 | 14.2 | 37.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 61 | K | 30.8 | Very low | 34.1 | Very low | 193 Ų | 193 | 155.5 Ų | 155.5 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | 20 | 146.8 | 130.1 | -51.5 | 179.1 | -177.1 | -179.7 | 0 | 119.1 | ||||
| 62 | L | 30.9 | Very low | 34.1 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | cis | -150.3 | 179.7 | 30.5 | -160.9 | 64.9 | 0 | 0 | 0 | 112.1 | ||||
| 63 | S | 29.3 | Very low | 34.3 | Very low | 98 Ų | 98 | 148.1 Ų | 148.1 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -110.1 | 161 | -168.4 | -169.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 64 | S | 34 | Very low | 34.2 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 73.5 | 121.7 | 150.8 | -54.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 65 | S | 32.6 | Very low | 34.5 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | -140.3 | 154.5 | 119.8 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 66 | R | 32 | Very low | 34.7 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | -133.6 | 128.8 | -170.4 | 170.5 | -175.7 | 177.6 | 160 | 4.6 | 109.4 | E68 | R66-E68 IonicContact CZ-OE1 2.79Å; R66-E68 IonicContact CZ-OE2 3.66Å; R66-E68 IonicContact NE-OE1 2.81Å; R66-E68 IonicContact NE-OE2 2.74Å; R66-E68 PolarHBondContact NE-OE2 3.38Å; R66-E68 IonicContact NH2-OE1 2.73Å; R66-E68 PolarHBondContact NH2-OE1 3.36Å; R66-E68 IonicContact NH2-OE2 2.74Å; R66-E68 PolarHBondContact NH2-OE2 3.41Å | ||
| 67 | F | 33.6 | Very low | 35.7 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | -141.3 | 131.4 | 161 | -72.2 | -72.7 | 0 | 0 | 0 | 108.8 | ||||
| 68 | E | 41.6 | Very low | 35.3 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -110 | 137 | 170.2 | -71.6 | 136.6 | 119 | 0 | 0 | 108.1 | R66 | R66-E68 IonicContact CZ-OE1 2.79Å; R66-E68 IonicContact CZ-OE2 3.66Å; R66-E68 IonicContact NE-OE1 2.81Å; R66-E68 IonicContact NE-OE2 2.74Å; R66-E68 PolarHBondContact NE-OE2 3.38Å; R66-E68 IonicContact NH2-OE1 2.73Å; R66-E68 PolarHBondContact NH2-OE1 3.36Å; R66-E68 IonicContact NH2-OE2 2.74Å; R66-E68 PolarHBondContact NH2-OE2 3.41Å | ||
| 69 | E | 34.7 | Very low | 35.5 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | trans | -148.1 | 160.8 | 144.3 | -164.2 | 148.5 | -147.8 | 0 | 0 | 109.7 | ||||
| 70 | V | 33.2 | Very low | 35.6 | Very low | 110 Ų | 110 | 142 Ų | 142 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | trans | -104.8 | 139.6 | -160.9 | 175 | 0 | 0 | 0 | 0 | 111.5 | V72 | V70-V72 HydrophobicContact CG1-CG2 3.83Š| ||
| 71 | I | 36.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -127.4 | 126.6 | 148.7 | -60.3 | -177.7 | 0 | 0 | 0 | 107.8 | I73 | I71-I73 HydrophobicContact CG2-CG1 4.45Š| ||
| 72 | V | 34.5 | Very low | 35.7 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -89.7 | 133.6 | 172.6 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | V70 | V70-V72 HydrophobicContact CG1-CG2 3.83Š| ||
| 73 | I | 36.7 | Very low | 35.9 | Very low | 149 Ų | 149 | 138 Ų | 138 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -125.3 | 122.6 | 161.3 | -59.9 | -178 | 0 | 0 | 0 | 106.6 | I71 | I71-I73 HydrophobicContact CG2-CG1 4.45Š| ||
| 74 | D | 30.4 | Very low | 36.2 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -74.4 | 155.5 | -177.5 | -154.2 | -9.8 | 0 | 0 | 0 | 110.9 | ||||
| 75 | S | 41.5 | Very low | 36.4 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -122.2 | 125.5 | -174 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 76 | S | 37.6 | Very low | 36.8 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -148.7 | 141.3 | 157.9 | -78.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 77 | P | 52 | Low | 37.4 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -99.8 | 160.9 | -168.8 | 38.9 | -35 | 0 | 0 | 0 | 112.8 | ||||
| 78 | D | 38.8 | Very low | 37.8 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -132.2 | 149 | 156.5 | -109.4 | -43.5 | 0 | 0 | 0 | 109.8 | ||||
| 79 | V | 38.8 | Very low | 37.8 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | -129.5 | 119.1 | -163.7 | -179 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 80 | I | 35.3 | Very low | 38.4 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -134.9 | 126.5 | 163.6 | -57.9 | -177.7 | 0 | 0 | 0 | 108.7 | ||||
| 81 | S | 33.7 | Very low | 38.8 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -75.9 | 145.5 | 179.9 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 82 | I | 32.1 | Very low | 39 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -101.9 | 136.7 | 158.5 | -57.6 | 173 | 0 | 0 | 0 | 106.7 | ||||
| 83 | S | 34.3 | Very low | 39.2 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -128.8 | 108.5 | 176.6 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 84 | D | 35.9 | Very low | 39 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -72.1 | 147.4 | 170.1 | -51 | -64.8 | 0 | 0 | 0 | 110.4 | ||||
| 85 | N | 38.9 | Very low | 39 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -152.5 | 80.6 | 164.6 | -169.1 | 107.1 | 0 | 0 | 0 | 109.9 | S87 | N85-S87 PolarHBondContact ND2-OG 3.26Š| ||
| 86 | D | 39.6 | Very low | 38.5 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 144.6 | 154 | -84.2 | -53.2 | 0 | 0 | 0 | 109.4 | ||||
| 87 | S | 44.5 | Very low | 38.3 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -158.1 | 122.2 | 169.5 | -65.2 | 0 | 0 | 0 | 0 | 108.2 | N85 | N85-S87 PolarHBondContact ND2-OG 3.26Š| ||
| 88 | D | 42.8 | Very low | 37.6 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -82.5 | -165.8 | -171.7 | -57.6 | -89.6 | 0 | 0 | 0 | 113.9 | ||||
| 89 | D | 42.2 | Very low | 37.2 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 92.5 | 96.8 | 157.1 | -60 | -31.4 | 0 | 0 | 0 | 119.9 | ||||
| 90 | E | 47.2 | Very low | 36.8 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | 60.8 | 141.8 | 124.9 | -51.4 | -54.3 | 67.6 | 0 | 0 | 123.7 | |||||
| 91 | D | 41.5 | Very low | 36.7 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 42.5 | 113.8 | 140.7 | -65.6 | -9.7 | 0 | 0 | 0 | 120.9 | ||||
| 92 | D | 41 | Very low | 36.4 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | -155.3 | 159.6 | 107.1 | -137.8 | -26.2 | 0 | 0 | 0 | 112.7 | |||||
| 93 | A | 39.1 | Very low | 36.3 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | -128.9 | 153.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 94 | S | 31.7 | Very low | 36.1 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 103.4 | 162.3 | 151.2 | -154.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 95 | V | 31.6 | Very low | 35.6 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | 71.1 | 114.1 | 169.4 | -164.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 96 | C | 30.4 | Very low | 35 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -101.9 | 126.7 | 168.2 | -53.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 97 | A | 32.8 | Very low | 34.6 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | trans | -170.5 | 149.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 98 | L | 36.8 | Very low | 33.8 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | cis | -134.3 | -175.2 | 31.4 | -84.8 | 166.3 | 0 | 0 | 0 | 113.6 | ||||
| 99 | K | 31 | Very low | 33.1 | Very low | 206 Ų | 206 | 135.6 Ų | 135.6 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -130.2 | 121.4 | -156.3 | 169.8 | -176.5 | 178 | 177.3 | 0 | 111.9 | ||||
| 100 | A | 29.8 | Very low | 32.7 | Very low | 100 Ų | 100 | 135 Ų | 135 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -132.8 | 147.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 101 | K | 34.8 | Very low | 32.7 | Very low | 212 Ų | 212 | 133.6 Ų | 133.6 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | trans | -67.9 | 164.6 | 178.1 | -57.7 | 147 | -176.7 | 175.1 | 0 | 109.4 | ||||
| 102 | G | 27.3 | Very low | 32.2 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | 138 | 139 | 13.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 103 | S | 30 | Very low | 31.9 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -73 | 141.4 | -162.3 | -170.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 104 | L | 29.1 | Very low | 31.5 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 175.1 | 132.9 | 112.7 | -91.3 | 167.5 | 0 | 0 | 0 | 115.4 | |||||
| 105 | T | 26.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | trans | 12.3 | 135.5 | 150.5 | 54.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 106 | L | 26.2 | Very low | 31.2 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | -175.8 | 126.8 | 123.8 | -95.1 | 162.4 | 0 | 0 | 0 | 110.1 | |||||
| 107 | Q | 31 | Very low | 31.1 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | 61.5 | 124 | 108 | -80.2 | -170 | 7.9 | 0 | 0 | 116.7 | |||||
| 108 | T | 26.1 | Very low | 30.9 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | cis | 108.8 | 140.5 | 37.8 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 109 | S | 28.3 | Very low | 30.4 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -146.1 | 116.6 | 163.9 | 35.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 110 | T | 34.7 | Very low | 30.3 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | 75.5 | 153.5 | 72 | 55.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 111 | P | 46.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -131.2 | -176.6 | -8.6 | 33.3 | -12.6 | 0 | 0 | 0 | 115.3 | ||||
| 112 | A | 30.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -151.8 | 165.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 113 | Q | 35.3 | Very low | 30.4 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -153.2 | 157.2 | 171.1 | -79.3 | -161.3 | -8.7 | 0 | 0 | 108.5 | ||||
| 114 | Q | 31.1 | Very low | 30.5 | Very low | 156 Ų | 156 | 148 Ų | 148 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | cis | -160.1 | -176.2 | 11.1 | -134.8 | -179.3 | 57.5 | 0 | 0 | 111.8 | ||||
| 115 | V | 27.2 | Very low | 30.4 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | 88.8 | 151.1 | 166.5 | -162.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 116 | E | 30 | Very low | 30.5 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -126.7 | 178.6 | -152.4 | -59.7 | -164.9 | 136.5 | 0 | 0 | 118 | ||||
| 117 | E | 27.8 | Very low | 30.7 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 62% | 0.621 | 78% | 0.784 | S | S | * | * | trans | 11.7 | 139.5 | 162.7 | -74.6 | -141.7 | 151.4 | 0 | 0 | 123 | K119 | E117-K119 IonicContact OE1-NZ 3.8Å; E117-K119 PolarHBondContact OE1-NZ 3.13Å; E117-K119 IonicContact OE2-NZ 3.08Å; E117-K119 PolarHBondContact OE2-NZ 3.38Å | ||
| 118 | I | 28.2 | Very low | 30.5 | Very low | 169 Ų | 169 | 147 Ų | 147 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | -162.4 | 157.7 | 111.1 | -99.5 | 158 | 0 | 0 | 0 | 110.8 | |||||
| 119 | K | 27.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | trans | -100.9 | 141.9 | -168.3 | -62.2 | 158.5 | 175.4 | 100.7 | 0 | 113.1 | E117 | E117-K119 IonicContact OE1-NZ 3.8Å; E117-K119 PolarHBondContact OE1-NZ 3.13Å; E117-K119 IonicContact OE2-NZ 3.08Å; E117-K119 PolarHBondContact OE2-NZ 3.38Å | ||
| 120 | S | 29.1 | Very low | 31.8 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | 161.1 | 132 | 122.7 | -77.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 121 | Q | 31.9 | Very low | 31.4 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | 66 | 113.6 | 135.3 | -65.4 | -167.4 | 51.7 | 0 | 0 | 124.6 | ||||
| 122 | K | 29.5 | Very low | 30.4 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | 93.2 | 92.1 | 113.7 | -165.2 | 179.7 | -179.2 | -178 | 0 | 122 | |||||
| 123 | R | 31.6 | Very low | 30.3 | Very low | 220 Ų | 220 | 147.9 Ų | 147.9 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | 72.5 | 125.2 | 133.6 | -71.1 | -174.5 | 172.9 | -174 | -1.5 | 122.5 | ||||
| 124 | K | 32.5 | Very low | 30 | Very low | 204 Ų | 204 | 146.1 Ų | 146.1 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | 71.5 | 122.3 | 141.7 | -71 | -173.4 | 171.5 | -167.1 | 0 | 119.9 | ||||
| 125 | G | 27.9 | Very low | 29.9 | Very low | 77 Ų | 77 | 143.7 Ų | 143.7 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 169.1 | 125.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 126 | S | 27.8 | Very low | 30.1 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -84.7 | 137.6 | 177.7 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 127 | L | 29.7 | Very low | 30.3 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -86 | 158.8 | 174.8 | -75.4 | 167.2 | 0 | 0 | 0 | 112.4 | ||||
| 128 | F | 26.4 | Very low | 30.7 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | -159.1 | 150 | 167.6 | -123.9 | -67.8 | 0 | 0 | 0 | 109.4 | ||||
| 129 | V | 29.3 | Very low | 30.9 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | 66.9 | 170.1 | 167.4 | -108.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 130 | P | 54.1 | Low | 31.2 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | -135 | -171.8 | -122.5 | 45.4 | -25.5 | 0 | 0 | 0 | 116.9 | |||||
| 131 | V | 25.9 | Very low | 31.5 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -145.4 | 134 | 168.6 | -175.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 132 | A | 24.8 | Very low | 31.6 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | 94.3 | 155.9 | 31 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 133 | V | 29.4 | Very low | 31.8 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -132 | -178.4 | -151.7 | -77.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 134 | V | 27.4 | Very low | 32 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 85.1 | 154.9 | 168.5 | -34.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 135 | S | 30.5 | Very low | 32.2 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | cis | 176.9 | 156.6 | -25.7 | -93.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 136 | S | 31.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | cis | -139.9 | -124.1 | -14.5 | -73.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 137 | S | 33.3 | Very low | 32.9 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -173.6 | 172.7 | -13 | -115.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 138 | S | 36.8 | Very low | 33.7 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | 177.4 | 113.9 | -32.1 | -81.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 139 | E | 31.2 | Very low | 34.2 | Very low | 198 Ų | 198 | 124.8 Ų | 124.8 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -148.6 | 179.6 | 164.5 | 69.3 | -179.4 | 104.5 | 0 | 0 | 115.3 | ||||
| 140 | S | 34.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -80.6 | 173.7 | -149.6 | -2.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 141 | S | 36.3 | Very low | 34 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | -166.6 | 170.7 | -0.6 | 44.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 142 | E | 33.4 | Very low | 34.5 | Very low | 181 Ų | 181 | 126.6 Ų | 126.6 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 71.1 | 140.5 | 159.4 | -43.2 | -173.8 | -143.9 | 0 | 0 | 120.1 | ||||
| 143 | S | 33.2 | Very low | 35.1 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | cis | -158.5 | 153.1 | -18.6 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 144 | A | 35.9 | Very low | 35.9 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 10.4 | 154.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 145 | S | 37.4 | Very low | 37.1 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -177.5 | -176.5 | -12.1 | 53.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 146 | E | 35.5 | Very low | 37.9 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -146.1 | 159.2 | 3.5 | -59.8 | 179 | 168.2 | 0 | 0 | 110 | ||||
| 147 | S | 35.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 167.4 | 145.8 | 131.6 | 43.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 148 | E | 45.2 | Very low | 39.7 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -90.4 | 137.9 | -154.9 | -63 | -74.6 | 99.7 | 0 | 0 | 116.7 | ||||
| 149 | P | 38.2 | Very low | 40.3 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -118.1 | 119 | 156.5 | 34.6 | -22 | 0 | 0 | 0 | 112.4 | ||||
| 150 | L | 37.4 | Very low | 40.8 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -99.4 | 103.7 | 178.1 | -75.3 | 173.9 | 0 | 0 | 0 | 113.4 | ||||
| 151 | D | 40.4 | Very low | 41.6 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 11.4 | 125.7 | 142.3 | -164.2 | 11.5 | 0 | 0 | 0 | 119.9 | ||||
| 152 | S | 37.1 | Very low | 41.9 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -175.9 | 67.8 | 163.4 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 153 | S | 38.1 | Very low | 42.7 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -109.6 | 77.8 | 176.3 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 154 | D | 46.3 | Very low | 43.3 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -126.4 | 70.2 | 173.2 | -92 | -33 | 0 | 0 | 0 | 110.1 | ||||
| 155 | V | 51.6 | Low | 43.5 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -138.8 | 14.2 | -173.9 | -68.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 156 | D | 47.9 | Very low | 44.1 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -105.1 | -6.2 | 179.4 | -71.5 | -66.9 | 0 | 0 | 0 | 114.8 | L158 | D156-L158 PolarHBondContact O-N 3.22Š| ||
| 157 | D | 51.8 | Low | 44.3 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 18.9 | -168 | -134.1 | 16.6 | 0 | 0 | 0 | 114.8 | ||
| 158 | L | 50.3 | Low | 45.2 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | -9.5 | -172 | -122.6 | 79.2 | 0 | 0 | 0 | 116.7 | D156 | D156-L158 PolarHBondContact O-N 3.22Š|
| 159 | E | 48.7 | Very low | 45.3 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -94.1 | -16.5 | -178.6 | -167.4 | 146.5 | -140.7 | 0 | 0 | 113.7 | W161 | E159-W161 PolarHBondContact O-N 3.13Š|
| 160 | N | 43.2 | Very low | 45.8 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 13.1 | -170.6 | -146.2 | 46.5 | 0 | 0 | 0 | 115.7 | ||
| 161 | W | 50.1 | Low | 46.5 | Very low | 242 Ų | 242 | 152.2 Ų | 152.2 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -3.6 | 178.4 | -75.6 | 72 | 0 | 0 | 0 | 114.1 | E159 | E159-W161 PolarHBondContact O-N 3.13Š|
| 162 | M | 44 | Very low | 47 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -129.7 | 15 | -172.8 | -144.1 | -176.7 | -55.9 | 0 | 0 | 115.8 | ||
| 163 | I | 48.9 | Very low | 47.6 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 67% | 0.672 | 80% | 0.795 | S | S | * | * | trans | -110.4 | 98.4 | 173 | -58.9 | 177.1 | 0 | 0 | 0 | 109.3 | G165 | I163-G165 VanDerWaalsContact C-N 3.31Å; I163-G165 PolarHBondContact O-N 3.41Å | ||
| 164 | L | 46.8 | Very low | 48.4 | Very low | 176 Ų | 176 | 154.1 Ų | 154.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 89 | 166 | -69.8 | 175.1 | 0 | 0 | 0 | 108.9 | ||||
| 165 | G | 39.1 | Very low | 48.4 | Very low | 59 Ų | 59 | 153.7 Ų | 153.7 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | -59.5 | 139.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I163 G167 | I163-G165 VanDerWaalsContact C-N 3.31Å; I163-G165 PolarHBondContact O-N 3.41Å; G165-G167 PolarHBondContact O-N 3.4Å | ||
| 166 | Q | 49.4 | Very low | 48.3 | Very low | 203 Ų | 203 | 151.9 Ų | 151.9 | 95% | 0.949 | 78% | 0.782 | S | S | * | * | trans | -76 | 53.3 | 177.6 | -68 | -178 | -49.5 | 0 | 0 | 112.4 | ||||
| 167 | G | 40.7 | Very low | 48.2 | Very low | 59 Ų | 59 | 151.3 Ų | 151.3 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -72.2 | 131.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G165 Q169 | G165-G167 PolarHBondContact O-N 3.4Å; G167-Q169 PolarHBondContact O-N 3.29Å; G167-Q169 VanDerWaalsContact O-N 3.12Å | ||
| 168 | R | 54.9 | Low | 47.8 | Very low | 251 Ų | 251 | 151.7 Ų | 151.7 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | -78.6 | 91.1 | 167.6 | -60.1 | 179 | -172.9 | -166.1 | 0.8 | 107.1 | ||||
| 169 | Q | 47 | Very low | 47.9 | Very low | 174 Ų | 174 | 150 Ų | 150 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 145.3 | 169.7 | -70.1 | -171.9 | -32.9 | 0 | 0 | 109.4 | G167 | G167-Q169 PolarHBondContact O-N 3.29Å; G167-Q169 VanDerWaalsContact O-N 3.12Å |
| 170 | D | 48.3 | Very low | 47.5 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 160.6 | 178 | -59.5 | -68.9 | 0 | 0 | 0 | 111.1 | D172 | D170-D172 PolarHBondContact O-N 3.21Š|
| 171 | E | 51.1 | Low | 47.3 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 117.3 | -168.6 | -58.1 | 174.7 | 169.2 | 0 | 0 | 111.8 | Q173 | E171-Q173 HydrophobicContact CB-CG 3.88Å; E171-Q173 PolarHBondContact O-N 3.1Å; E171-Q173 PolarHBondContact OE2-NE2 3.33Å |
| 172 | D | 51.1 | Low | 46.7 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -67.7 | 55.9 | 176.4 | -90.6 | -31.6 | 0 | 0 | 0 | 113 | D170 S174 | D170-D172 PolarHBondContact O-N 3.21Å; D172-S174 PolarHBondContact O-N 2.89Å | ||
| 173 | Q | 50.8 | Low | 46.2 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -74.6 | 30.1 | -179.2 | -59.3 | -158.6 | 23.1 | 0 | 0 | 113.8 | E171 | E171-Q173 HydrophobicContact CB-CG 3.88Å; E171-Q173 PolarHBondContact O-N 3.1Å; E171-Q173 PolarHBondContact OE2-NE2 3.33Å | ||
| 174 | S | 53.8 | Low | 45.5 | Very low | 91 Ų | 91 | 143 Ų | 143 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -150.8 | 50 | -178.7 | 71.2 | 0 | 0 | 0 | 0 | 116.2 | D172 S176 | D172-S174 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact O-N 2.93Å | ||
| 175 | I | 47.9 | Very low | 45 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -77.4 | 76.8 | 150.4 | -56.2 | -176.6 | 0 | 0 | 0 | 107.8 | L177 | I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.32Å | ||
| 176 | S | 48.3 | Very low | 45 | Very low | 91 Ų | 91 | 142.7 Ų | 142.7 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -71.6 | 84.1 | -176.5 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | S174 N178 | S174-S176 PolarHBondContact O-N 2.93Å; S176-N178 PolarHBondContact O-N 3.03Å | ||
| 177 | L | 45.3 | Very low | 44.4 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -66.2 | 114.1 | 164.4 | -64.1 | 177.7 | 0 | 0 | 0 | 108.4 | I175 V179 | I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.32Å; L177-V179 HydrophobicContact CB-CG2 4.5Å; L177-V179 PolarHBondContact O-N 2.76Å | ||
| 178 | N | 44.9 | Very low | 43.9 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -72 | 60.8 | 179.7 | -98.5 | 83.6 | 0 | 0 | 0 | 112.6 | S176 | S176-N178 PolarHBondContact O-N 3.03Š| ||
| 179 | V | 51.6 | Low | 43.3 | Very low | 125 Ų | 125 | 134 Ų | 134 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | -103.3 | 87.7 | 170.1 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | L177 G181 | L177-V179 HydrophobicContact CB-CG2 4.5Å; L177-V179 PolarHBondContact O-N 2.76Å; V179-G181 PolarHBondContact O-N 2.77Å | ||
| 180 | E | 40.9 | Very low | 42.8 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -73.5 | 86.8 | -176.5 | -167.6 | 163.5 | -154.7 | 0 | 0 | 110.6 | ||||
| 181 | G | 38.2 | Very low | 42 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 123.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V179 S183 | V179-G181 PolarHBondContact O-N 2.77Å; G181-S183 PolarHBondContact O-N 3.17Å |
| 182 | V | 38.1 | Very low | 41.3 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 128.7 | 173.9 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | Y184 | V182-Y184 VanDerWaalsContact O-CD1 3.29Å; V182-Y184 WeakPolarHBondContact O-CD1 3.43Å; V182-Y184 WeakPolarHBondContact O-CE1 3.47Å; V182-Y184 PolarHBondContact O-N 2.8Å |
| 183 | S | 33.3 | Very low | 40.5 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 121.4 | -179.9 | 44.4 | 0 | 0 | 0 | 0 | 112.1 | G181 | G181-S183 PolarHBondContact O-N 3.17Š|
| 184 | Y | 33.4 | Very low | 39.9 | Very low | 218 Ų | 218 | 129.7 Ų | 129.7 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 117.4 | 178.7 | 16.8 | -95.1 | 0 | 0 | 0 | 111.3 | V182 | V182-Y184 VanDerWaalsContact O-CD1 3.29Å; V182-Y184 WeakPolarHBondContact O-CD1 3.43Å; V182-Y184 WeakPolarHBondContact O-CE1 3.47Å; V182-Y184 PolarHBondContact O-N 2.8Å |
| 185 | S | 37.4 | Very low | 39 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -115.1 | 103.5 | 175.8 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 186 | S | 39.7 | Very low | 38.7 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 76.2 | 135.5 | 162.4 | -155.6 | 0 | 0 | 0 | 0 | 120.5 | ||
| 187 | S | 35.8 | Very low | 38.2 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 76.4 | 129.4 | 156.2 | 69.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 188 | T | 30.4 | Very low | 38.1 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 49.5 | 88.6 | 154.9 | 49.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 189 | A | 41.5 | Very low | 38 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -61.9 | 139.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 190 | V | 38.1 | Very low | 37.8 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | -160.9 | 164.2 | 95 | -164 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 191 | Y | 31.1 | Very low | 38.3 | Very low | 207 Ų | 207 | 140.5 Ų | 140.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | 85.1 | 104.9 | 165.6 | -72.1 | -84.8 | 0 | 0 | 0 | 120.9 | ||||
| 192 | V | 35.9 | Very low | 39.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | 62 | 111.9 | 128.1 | -179.3 | 0 | 0 | 0 | 0 | 120.8 | L194 | V192-L194 HydrophobicContact CG1-CB 4.47Å; V192-L194 HydrophobicContact CG1-CD1 3.86Å; V192-L194 HydrophobicContact CG1-CG 3.74Å | |||
| 193 | C | 34.4 | Very low | 40 | Very low | 128 Ų | 128 | 142 Ų | 142 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | -138.4 | 114.5 | 130.9 | -81.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 194 | L | 37.2 | Very low | 41.6 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | 58.6 | 108.8 | 62.7 | -74.2 | 173.8 | 0 | 0 | 0 | 115.7 | V192 | V192-L194 HydrophobicContact CG1-CB 4.47Å; V192-L194 HydrophobicContact CG1-CD1 3.86Å; V192-L194 HydrophobicContact CG1-CG 3.74Å | |||
| 195 | R | 34.8 | Very low | 42.9 | Very low | 231 Ų | 231 | 135.1 Ų | 135.1 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 56.7 | 76.2 | 142.4 | -159.4 | -163.5 | -56.4 | -97.4 | 2.5 | 118.1 | ||
| 196 | G | 42.8 | Very low | 44.2 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | 52.7 | 97.2 | 135 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 197 | E | 37.4 | Very low | 45.3 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | trans | -118.6 | 159.7 | 144 | -76.6 | -163.4 | 152.2 | 0 | 0 | 109.8 | G199 | E197-G199 PolarHBondContact O-N 3.33Š| ||
| 198 | E | 43.9 | Very low | 46.7 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -71.1 | 128.5 | -175.5 | -64.4 | 178.3 | -167.4 | 0 | 0 | 111.4 | K200 | E198-K200 VanDerWaalsContact C-N 3.28Å; E198-K200 PolarHBondContact O-N 2.88Å | ||
| 199 | G | 42.7 | Very low | 48 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | -65.2 | 83 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E197 W201 | E197-G199 PolarHBondContact O-N 3.33Å; G199-W201 VanDerWaalsContact C-N 3.33Å; G199-W201 PolarHBondContact O-N 2.87Å | ||
| 200 | K | 47.3 | Very low | 48.9 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | trans | -75.5 | 81 | -176.4 | -171.5 | 178.7 | 179.5 | 179.8 | 0 | 110.9 | E198 I202 | E198-K200 VanDerWaalsContact C-N 3.28Å; E198-K200 PolarHBondContact O-N 2.88Å; K200-I202 PolarHBondContact O-N 3.35Å; K200-I202 VanDerWaalsContact O-N 3.1Å | ||
| 201 | W | 49.8 | Very low | 49.9 | Very low | 235 Ų | 235 | 134.3 Ų | 134.3 | 89% | 0.89 | 68% | 0.68 | S | S | * | * | trans | -46.5 | 115.1 | 173.5 | -66.3 | 88.1 | 0 | 0 | 0 | 111.1 | G199 V203 | G199-W201 VanDerWaalsContact C-N 3.33Å; G199-W201 PolarHBondContact O-N 2.87Å; W201-V203 PolarHBondContact O-N 2.91Å | ||
| 202 | I | 55 | Low | 51 | Low | 167 Ų | 167 | 130 Ų | 130 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | trans | -80 | 102.8 | -178.3 | -58.1 | 178.6 | 0 | 0 | 0 | 108.1 | K200 | K200-I202 PolarHBondContact O-N 3.35Å; K200-I202 VanDerWaalsContact O-N 3.1Å | ||
| 203 | V | 57.9 | Low | 52.2 | Low | 56 Ų | 56 | 130.1 Ų | 130.1 | 34% | 0.339 | 66% | 0.662 | S | S | . | * | trans | -69.2 | 127.5 | 176 | -180 | 0 | 0 | 0 | 0 | 109.3 | W201 D207 K208 | W201-V203 PolarHBondContact O-N 2.91Å; V203-D207 HydrophobicContact CG1-CB 3.48Å; V203-D207 VanDerWaalsContact CG1-CB 3.48Å; V203-K208 HydrophobicContact CG1-CG 4.16Å; V203-K208 WeakPolarHBondContact O-CE 3.17Å | ||
| 204 | S | 67.3 | Low | 53.1 | Low | 53 Ų | 53 | 132 Ų | 132 | 37% | 0.371 | 66% | 0.664 | S | S | . | * | trans | -67.2 | 160.8 | -176.9 | 84.9 | 0 | 0 | 0 | 0 | 112.2 | K206 D207 K208 | S204-K206 VanDerWaalsContact C-N 3.26Å; S204-K206 PolarHBondContact O-N 3.28Å; S204-K206 PolarHBondContact OG-N 3.03Å; S204-D207 VanDerWaalsContact CB-OD2 3.31Å; S204-D207 WeakPolarHBondContact CB-OD2 3.39Å; S204-D207 PolarHBondContact O-N 3.23Å; S204-D207 VanDerWaalsContact O-N 3.14Å; S204-D207 VanDerWaalsContact OG-CG 3.29Å; S204-D207 PolarHBondContact OG-N 3.29Å; S204-D207 PolarHBondContact OG-OD2 2.95Å; S204-K208 WeakPolarHBondContact O-CG 3.07Å; S204-K208 PolarHBondContact O-N 2.93Å; S204-K208 VanDerWaalsContact O-N 3.1Å | ||
| 205 | E | 61.2 | Low | 53.8 | Low | 126 Ų | 126 | 132.1 Ų | 132.1 | 59% | 0.589 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -54.4 | -43.6 | 176.4 | -140.9 | 75.4 | -94.9 | 0 | 0 | 111.6 | D207 K208 E209 | E205-D207 VanDerWaalsContact C-N 3.35Å; E205-D207 PolarHBondContact O-N 2.83Å; E205-K208 WeakPolarHBondContact O-CB 3.38Å; E205-K208 PolarHBondContact O-N 3.42Å; E205-K208 WeakPolarHBondContact OE1-CD 3.44Å; E205-K208 WeakPolarHBondContact OE1-CE 3.49Å; E205-K208 IonicContact OE1-NZ 2.81Å; E205-K208 PolarHBondContact OE1-NZ 2.91Å; E205-K208 IonicContact OE2-NZ 3.1Å; E205-E209 WeakPolarHBondContact O-CG 3.24Å; E205-E209 PolarHBondContact O-N 2.81Å |
| 206 | K | 63.2 | Low | 54.3 | Low | 161 Ų | 161 | 124.2 Ų | 124.2 | 70% | 0.7 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.9 | -34.2 | 178.7 | -72.2 | 175.7 | 175.9 | 173.1 | 0 | 113.2 | S204 E209 A210 | S204-K206 VanDerWaalsContact C-N 3.26Å; S204-K206 PolarHBondContact O-N 3.28Å; S204-K206 PolarHBondContact OG-N 3.03Å; K206-E209 PolarHBondContact O-N 3.05Å; K206-A210 VanDerWaalsContact O-CB 3.31Å; K206-A210 WeakPolarHBondContact O-CB 3.26Å; K206-A210 PolarHBondContact O-N 3.32Å |
| 207 | D | 63.9 | Low | 54.6 | Low | 66 Ų | 66 | 130.7 Ų | 130.7 | 35% | 0.353 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74.4 | -30.7 | 177.1 | -62.8 | -56.4 | 0 | 0 | 0 | 112.1 | V203 S204 E205 Q211 I212 | V203-D207 HydrophobicContact CG1-CB 3.48Å; V203-D207 VanDerWaalsContact CG1-CB 3.48Å; S204-D207 VanDerWaalsContact CB-OD2 3.31Å; S204-D207 WeakPolarHBondContact CB-OD2 3.39Å; S204-D207 PolarHBondContact O-N 3.23Å; S204-D207 VanDerWaalsContact O-N 3.14Å; S204-D207 VanDerWaalsContact OG-CG 3.29Å; S204-D207 PolarHBondContact OG-N 3.29Å; S204-D207 PolarHBondContact OG-OD2 2.95Å; E205-D207 VanDerWaalsContact C-N 3.35Å; E205-D207 PolarHBondContact O-N 2.83Å; D207-Q211 PolarHBondContact O-N 3.12Å; D207-I212 PolarHBondContact O-N 3.35Å |
| 208 | K | 65.1 | Low | 55 | Low | 107 Ų | 107 | 123.9 Ų | 123.9 | 47% | 0.465 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.1 | -47.2 | 169.3 | -59 | 167.1 | -150 | 168 | 0 | 110.3 | V203 S204 E205 A210 Q211 | V203-K208 HydrophobicContact CG1-CG 4.16Å; V203-K208 WeakPolarHBondContact O-CE 3.17Å; S204-K208 WeakPolarHBondContact O-CG 3.07Å; S204-K208 PolarHBondContact O-N 2.93Å; S204-K208 VanDerWaalsContact O-N 3.1Å; E205-K208 WeakPolarHBondContact O-CB 3.38Å; E205-K208 PolarHBondContact O-N 3.42Å; E205-K208 WeakPolarHBondContact OE1-CD 3.44Å; E205-K208 WeakPolarHBondContact OE1-CE 3.49Å; E205-K208 IonicContact OE1-NZ 2.81Å; E205-K208 PolarHBondContact OE1-NZ 2.91Å; E205-K208 IonicContact OE2-NZ 3.1Å; K208-A210 PolarHBondContact O-N 3.32Å; K208-Q211 PolarHBondContact O-N 3.48Å |
| 209 | E | 56.4 | Low | 55.2 | Low | 149 Ų | 149 | 121.1 Ų | 121.1 | 70% | 0.696 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.9 | -44.1 | 175.6 | -70.4 | 174.8 | 157.4 | 0 | 0 | 111.8 | E205 K206 Q211 | E205-E209 WeakPolarHBondContact O-CG 3.24Å; E205-E209 PolarHBondContact O-N 2.81Å; K206-E209 PolarHBondContact O-N 3.05Å; E209-Q211 PolarHBondContact O-N 3.43Å |
| 210 | A | 61.2 | Low | 55.5 | Low | 59 Ų | 59 | 130 Ų | 130 | 49% | 0.488 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | -3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K206 K208 I212 | K206-A210 VanDerWaalsContact O-CB 3.31Å; K206-A210 WeakPolarHBondContact O-CB 3.26Å; K206-A210 PolarHBondContact O-N 3.32Å; K208-A210 PolarHBondContact O-N 3.32Å; A210-I212 HydrophobicContact CB-CD1 3.86Å; A210-I212 HydrophobicContact CB-CG1 3.78Å; A210-I212 WeakPolarHBondContact O-CG1 3.46Å; A210-I212 PolarHBondContact O-N 2.99Å |
| 211 | Q | 58.3 | Low | 55.4 | Low | 123 Ų | 123 | 128.1 Ų | 128.1 | 58% | 0.575 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.2 | 25.5 | -176.8 | -54.5 | -172.1 | -4.7 | 0 | 0 | 114.7 | D207 K208 E209 F213 | D207-Q211 PolarHBondContact O-N 3.12Å; K208-Q211 PolarHBondContact O-N 3.48Å; E209-Q211 PolarHBondContact O-N 3.43Å; Q211-F213 VanDerWaalsContact C-N 3.28Å; Q211-F213 PolarHBondContact O-N 3.13Å |
| 212 | I | 55.6 | Low | 55.5 | Low | 115 Ų | 115 | 121.7 Ų | 121.7 | 59% | 0.59 | 65% | 0.647 | S | S | * | * | trans | -88 | 65.9 | -177.7 | -47.4 | 179.3 | 0 | 0 | 0 | 109.6 | D207 A210 | D207-I212 PolarHBondContact O-N 3.35Å; A210-I212 HydrophobicContact CB-CD1 3.86Å; A210-I212 HydrophobicContact CB-CG1 3.78Å; A210-I212 WeakPolarHBondContact O-CG1 3.46Å; A210-I212 PolarHBondContact O-N 2.99Å | ||
| 213 | F | 61.5 | Low | 55 | Low | 105 Ų | 105 | 118.3 Ų | 118.3 | 46% | 0.461 | 63% | 0.634 | S | S | . | * | trans | -127.3 | 140 | 177.2 | 70.7 | -85.6 | 0 | 0 | 0 | 113.2 | Q211 K215 | Q211-F213 VanDerWaalsContact C-N 3.28Å; Q211-F213 PolarHBondContact O-N 3.13Å; F213-K215 HydrophobicContact CD2-CG 3.91Å; F213-K215 HydrophobicContact CE2-CD 4.22Å; F213-K215 HydrophobicContact CE2-CG 3.48Å; F213-K215 VanDerWaalsContact CE2-CG 3.48Å; F213-K215 HydrophobicContact CZ-CD 4.37Å; F213-K215 HydrophobicContact CZ-CG 4.11Å; F213-K215 PolarHBondContact O-N 3.25Å; F213-K215 VanDerWaalsContact O-N 3.13Å | ||
| 214 | N | 52 | Low | 54.9 | Low | 168 Ų | 168 | 123.9 Ų | 123.9 | 90% | 0.898 | 66% | 0.656 | S | S | * | * | trans | -68 | 108.2 | 174.6 | -74 | -38.8 | 0 | 0 | 0 | 109.8 | G216 | N214-G216 PolarHBondContact O-N 3.3Š| ||
| 215 | K | 52.1 | Low | 54.1 | Low | 140 Ų | 140 | 132.1 Ų | 132.1 | 61% | 0.609 | 68% | 0.679 | S | S | * | * | trans | -73.5 | 91.4 | 177.1 | -78.6 | 179.2 | 176.2 | 174.2 | 0 | 110.9 | F213 | F213-K215 HydrophobicContact CD2-CG 3.91Å; F213-K215 HydrophobicContact CE2-CD 4.22Å; F213-K215 HydrophobicContact CE2-CG 3.48Å; F213-K215 VanDerWaalsContact CE2-CG 3.48Å; F213-K215 HydrophobicContact CZ-CD 4.37Å; F213-K215 HydrophobicContact CZ-CG 4.11Å; F213-K215 PolarHBondContact O-N 3.25Å; F213-K215 VanDerWaalsContact O-N 3.13Å | ||
| 216 | G | 44.8 | Very low | 53.5 | Low | 65 Ų | 65 | 133 Ų | 133 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | trans | -56.9 | 170.6 | 164 | 0 | 0 | 0 | 0 | 0 | 112.8 | N214 G218 | N214-G216 PolarHBondContact O-N 3.3Å; G216-G218 PolarHBondContact O-N 3.17Å; G216-G218 VanDerWaalsContact O-N 3.16Å | ||
| 217 | Q | 49 | Very low | 53.2 | Low | 213 Ų | 213 | 130.4 Ų | 130.4 | 100% | 0.995 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -62.1 | 116.1 | -166.1 | -71.2 | 148.1 | -61.5 | 0 | 0 | 113.3 | ||
| 218 | G | 47.7 | Very low | 53 | Low | 55 Ų | 55 | 131.9 Ų | 131.9 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | trans | -154.1 | 160.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | G216 | G216-G218 PolarHBondContact O-N 3.17Å; G216-G218 VanDerWaalsContact O-N 3.16Å | ||
| 219 | P | 46.8 | Very low | 52.6 | Low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -63.1 | 139.5 | -177.3 | 25.4 | -33.5 | 0 | 0 | 0 | 111.7 | I221 | P219-I221 PolarHBondContact O-N 2.98Š| ||
| 220 | R | 48.9 | Very low | 52.5 | Low | 251 Ų | 251 | 139.5 Ų | 139.5 | 95% | 0.947 | 72% | 0.716 | S | S | * | * | trans | -73.2 | 85.6 | -170.6 | -65.8 | -177.1 | -179 | 125.6 | -0.2 | 112.6 | A222 | R220-A222 PolarHBondContact O-N 2.93Š| ||
| 221 | I | 45 | Very low | 52.2 | Low | 150 Ų | 150 | 143.2 Ų | 143.2 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -59.3 | 130.3 | 158.8 | -62.8 | 172.9 | 0 | 0 | 0 | 107.9 | P219 V223 | P219-I221 PolarHBondContact O-N 2.98Å; I221-V223 VanDerWaalsContact C-N 3.26Å; I221-V223 PolarHBondContact O-N 2.97Å | ||
| 222 | A | 51.9 | Low | 52 | Low | 99 Ų | 99 | 141.7 Ų | 141.7 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -76.4 | 72.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R220 H224 | R220-A222 PolarHBondContact O-N 2.93Å; A222-H224 PolarHBondContact O-N 3.02Å | ||
| 223 | V | 45.3 | Very low | 52.1 | Low | 97 Ų | 97 | 138.9 Ų | 138.9 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 122.6 | 171.4 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | I221 R225 | I221-V223 VanDerWaalsContact C-N 3.26Å; I221-V223 PolarHBondContact O-N 2.97Å; V223-R225 PolarHBondContact O-N 3.18Å |
| 224 | H | 54.8 | Low | 52 | Low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.4 | 174.5 | -171.4 | -76.8 | 0 | 0 | 0 | 109 | A222 M226 | A222-H224 PolarHBondContact O-N 3.02Å; H224-M226 PolarHBondContact O-N 3.36Å |
| 225 | R | 50.4 | Low | 52.7 | Low | 226 Ų | 226 | 140.7 Ų | 140.7 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121.3 | 178.4 | -73.3 | -177.2 | 179.4 | 168.5 | 0.1 | 108.3 | V223 S227 | V223-R225 PolarHBondContact O-N 3.18Å; R225-S227 PolarHBondContact O-N 3.41Å |
| 226 | M | 50.6 | Low | 53.8 | Low | 145 Ų | 145 | 135.5 Ų | 135.5 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 125.9 | 169.9 | -59.7 | 173.2 | 91 | 0 | 0 | 106.7 | H224 N228 | H224-M226 PolarHBondContact O-N 3.36Å; M226-N228 PolarHBondContact O-N 2.78Å |
| 227 | S | 56.9 | Low | 55.4 | Low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 136.3 | 173.2 | 35 | 0 | 0 | 0 | 0 | 108.5 | R225 R229 | R225-S227 PolarHBondContact O-N 3.41Å; S227-R229 PolarHBondContact O-N 3.25Å |
| 228 | N | 59 | Low | 56.9 | Low | 97 Ų | 97 | 128.9 Ų | 128.9 | 52% | 0.519 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 128.7 | -177.4 | -70.6 | 9.5 | 0 | 0 | 0 | 109.6 | M226 Y230 Y231 | M226-N228 PolarHBondContact O-N 2.78Å; N228-Y230 PolarHBondContact O-N 2.7Å; N228-Y231 HydrophobicContact CB-CD2 3.7Å; N228-Y231 HydrophobicContact CB-CE2 4.33Å; N228-Y231 HydrophobicContact CB-CG 4.18Å; N228-Y231 WeakPolarHBondContact ND2-CE2 3.08Å; N228-Y231 PolarHBondContact O-N 3.27Å |
| 229 | R | 56.7 | Low | 58.4 | Low | 213 Ų | 213 | 137.3 Ų | 137.3 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -20.5 | -176.2 | -156.5 | 178.5 | -72.4 | 173.3 | -4.8 | 113.5 | S227 | S227-R229 PolarHBondContact O-N 3.25Š|
| 230 | Y | 54.3 | Low | 59.8 | Low | 204 Ų | 204 | 131.9 Ų | 131.9 | 80% | 0.8 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -3.1 | 178.6 | -51.4 | -78.4 | 0 | 0 | 0 | 115.2 | N228 | N228-Y230 PolarHBondContact O-N 2.7Š|
| 231 | Y | 53.6 | Low | 61.2 | Low | 137 Ų | 137 | 121 Ų | 121 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | trans | -113.6 | 56.5 | 179.3 | -66.1 | -28.2 | 0 | 0 | 0 | 111.3 | N228 I236 | N228-Y231 HydrophobicContact CB-CD2 3.7Å; N228-Y231 HydrophobicContact CB-CE2 4.33Å; N228-Y231 HydrophobicContact CB-CG 4.18Å; N228-Y231 WeakPolarHBondContact ND2-CE2 3.08Å; N228-Y231 PolarHBondContact O-N 3.27Å; Y231-I236 HydrophobicContact CD1-CD1 3.55Å; Y231-I236 HydrophobicContact CD1-CG1 4.45Å; Y231-I236 HydrophobicContact CD2-CD1 4.35Å; Y231-I236 HydrophobicContact CE1-CD1 4.08Å; Y231-I236 HydrophobicContact CG-CD1 3.73Å | ||
| 232 | T | 56 | Low | 62.7 | Low | 91 Ų | 91 | 119.2 Ų | 119.2 | 56% | 0.558 | 59% | 0.586 | S | S | * | * | trans | -66.4 | 139.4 | 163.6 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | K234 | T232-K234 PolarHBondContact O-N 3.2Š| ||
| 233 | G | 56.3 | Low | 64 | Low | 55 Ų | 55 | 120.7 Ų | 120.7 | 57% | 0.567 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 7.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G245 | G233-G245 WeakPolarHBondContact O-CA 3.23Š|
| 234 | K | 60.8 | Low | 65.6 | Low | 172 Ų | 172 | 120 Ų | 120 | 75% | 0.748 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -39.6 | -175.1 | -59.4 | -174.3 | -179.9 | -176.1 | 0 | 112.5 | T232 | T232-K234 PolarHBondContact O-N 3.2Š|
| 235 | N | 66.4 | Low | 66.8 | Low | 140 Ų | 140 | 114.2 Ų | 114.2 | 75% | 0.749 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -103 | 0.6 | -170.3 | -64.8 | 20.3 | 0 | 0 | 0 | 114.1 | Q237 | N235-Q237 PolarHBondContact O-N 2.91Š|
| 236 | I | 75.4 | Confident | 68.2 | Low | 30 Ų | 30 | 105.3 Ų | 105.3 | 15% | 0.154 | 52% | 0.524 | C | S | . | . | trans | -83.2 | 100.8 | -177.2 | -138.4 | 164 | 0 | 0 | 0 | 110.6 | Y231 T244 G245 L247 | Y231-I236 HydrophobicContact CD1-CD1 3.55Å; Y231-I236 HydrophobicContact CD1-CG1 4.45Å; Y231-I236 HydrophobicContact CD2-CD1 4.35Å; Y231-I236 HydrophobicContact CE1-CD1 4.08Å; Y231-I236 HydrophobicContact CG-CD1 3.73Å; I236-T244 CarbonylContact O-C 3.55Å; I236-T244 VanDerWaalsContact O-CA 3.31Å; I236-T244 WeakPolarHBondContact O-CA 3.25Å; I236-G245 PolarHBondContact O-N 3.46Å; I236-L247 HydrophobicContact CD1-CD2 3.54Å; I236-L247 HydrophobicContact CD1-CG 4.05Å; I236-L247 HydrophobicContact CG1-CD2 4.04Å | ||
| 237 | Q | 78.6 | Confident | 69.6 | Low | 140 Ų | 140 | 102.5 Ų | 102.5 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | trans | -81.2 | 131.2 | 175.6 | -71.6 | -179.2 | -6 | 0 | 0 | 111.4 | N235 R239 T244 | N235-Q237 PolarHBondContact O-N 2.91Å; Q237-R239 PolarHBondContact O-N 3.39Å; Q237-T244 HydrophobicContact CG-CG2 3.84Å | ||
| 238 | C | 80.6 | Confident | 70.5 | Confident | 0 Ų | 0 | 99.7 Ų | 99.7 | 0% | 0 | 49% | 0.492 | C | S | . | . | trans | -78.1 | 109.1 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | N240 C241 N242 K243 H246 C251 | C238-N240 PolarHBondContact O-N 3.28Å; C238-C241 PolarHBondContact O-N 3.31Å; C238-N242 WeakPolarHBondContact O-CA 3Å; C238-N242 PolarHBondContact O-N 2.95Å; C238-K243 VanDerWaalsContact CB-O 3.24Å; C238-K243 WeakPolarHBondContact CB-O 3.05Å; C238-K243 PolarHBondContact N-O 3.13Å; C238-H246 WeakPolarHBondContact CA-O 3.48Å; C238-H246 WeakPolarHBondContact CB-NE2 3.44Å; C238-H246 WeakPolarHBondContact CB-O 3.3Å; C238-H246 PolarHBondContact SG-NE2 3.35Å; C238-C251 VanDerWaalsContact SG-SG 3.64Å | ||
| 239 | R | 77.3 | Confident | 71.1 | Confident | 232 Ų | 232 | 104.3 Ų | 104.3 | 88% | 0.875 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 7.2 | 176.3 | -57.8 | -178.3 | 173.6 | 178.8 | -4.6 | 115.9 | Q237 S248 | Q237-R239 PolarHBondContact O-N 3.39Å; R239-S248 WeakPolarHBondContact CB-OG 3.36Å; R239-S248 PolarHBondContact N-OG 3.02Å |
| 240 | N | 77.4 | Confident | 71.9 | Confident | 12 Ų | 12 | 98.4 Ų | 98.4 | 6% | 0.064 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -53.8 | 175 | -169.4 | 41.7 | 0 | 0 | 0 | 111.7 | C238 C251 H253 P254 K256 | C238-N240 PolarHBondContact O-N 3.28Å; N240-C251 HydrophobicContact CB-CB 4.26Å; N240-C251 PolarHBondContact ND2-SG 2.82Å; N240-C251 VanDerWaalsContact ND2-SG 3.36Å; N240-H253 PolarHBondContact ND2-O 2.86Å; N240-H253 VanDerWaalsContact ND2-O 3.13Å; N240-P254 PolarHBondContact ND2-O 3.4Å; N240-P254 PolarHBondContact OD1-O 3.28Å; N240-K256 VanDerWaalsContact O-CD 3.23Å; N240-K256 WeakPolarHBondContact O-CD 3.36Å; N240-K256 WeakPolarHBondContact O-CE 3.41Å; N240-K256 PolarHBondContact O-NZ 3.34Å; N240-K256 PolarHBondContact OD1-N 3.42Å |
| 241 | C | 76.9 | Confident | 73 | Confident | 24 Ų | 24 | 89.8 Ų | 89.8 | 16% | 0.162 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 3.5 | -177.2 | 66.8 | 0 | 0 | 0 | 0 | 114.1 | C238 K243 H246 | C238-C241 PolarHBondContact O-N 3.31Å; C241-K243 PolarHBondContact O-N 3.46Å; C241-H246 PolarHBondContact SG-CE1 3.34Å; C241-H246 PolarHBondContact SG-NE2 3.46Å; C241-H246 VanDerWaalsContact SG-NE2 3.41Å |
| 242 | N | 77.8 | Confident | 74 | Confident | 111 Ų | 111 | 88.6 Ų | 88.6 | 59% | 0.594 | 48% | 0.477 | S | S | * | . | trans | 59.4 | -4.9 | -177.9 | -59.6 | 4.3 | 0 | 0 | 0 | 116.2 | C238 | C238-N242 WeakPolarHBondContact O-CA 3Å; C238-N242 PolarHBondContact O-N 2.95Å | ||
| 243 | K | 78.6 | Confident | 74.6 | Confident | 131 Ų | 131 | 89 Ų | 89 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | trans | -67.9 | 146.7 | 173.7 | -60.5 | 179.9 | -179.6 | -178.2 | 0 | 111.3 | C238 C241 | C238-K243 VanDerWaalsContact CB-O 3.24Å; C238-K243 WeakPolarHBondContact CB-O 3.05Å; C238-K243 PolarHBondContact N-O 3.13Å; C241-K243 PolarHBondContact O-N 3.46Å | ||
| 244 | T | 78.9 | Confident | 75.3 | Confident | 82 Ų | 82 | 91.9 Ų | 91.9 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -74.9 | 178 | 176.4 | 44.5 | 0 | 0 | 0 | 0 | 112.5 | I236 Q237 H246 | I236-T244 CarbonylContact O-C 3.55Å; I236-T244 VanDerWaalsContact O-CA 3.31Å; I236-T244 WeakPolarHBondContact O-CA 3.25Å; Q237-T244 HydrophobicContact CG-CG2 3.84Å; T244-H246 VanDerWaalsContact C-N 3.33Å; T244-H246 PolarHBondContact O-N 3.43Å; T244-H246 PolarHBondContact O-ND1 3.45Å |
| 245 | G | 79.7 | Confident | 75.8 | Confident | 50 Ų | 50 | 92.1 Ų | 92.1 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 83.3 | -7.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G233 I236 | G233-G245 WeakPolarHBondContact O-CA 3.23Å; I236-G245 PolarHBondContact O-N 3.46Å |
| 246 | H | 81.1 | Confident | 75.8 | Confident | 40 Ų | 40 | 92 Ų | 92 | 19% | 0.185 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -151.2 | 153.3 | 179.7 | 68.3 | -74.2 | 0 | 0 | 0 | 113.9 | C238 C241 T244 C251 | C238-H246 WeakPolarHBondContact CA-O 3.48Å; C238-H246 WeakPolarHBondContact CB-NE2 3.44Å; C238-H246 WeakPolarHBondContact CB-O 3.3Å; C238-H246 PolarHBondContact SG-NE2 3.35Å; C241-H246 PolarHBondContact SG-CE1 3.34Å; C241-H246 PolarHBondContact SG-NE2 3.46Å; C241-H246 VanDerWaalsContact SG-NE2 3.41Å; T244-H246 VanDerWaalsContact C-N 3.33Å; T244-H246 PolarHBondContact O-N 3.43Å; T244-H246 PolarHBondContact O-ND1 3.45Å; H246-C251 PolarHBondContact NE2-SG 3.45Å; H246-C251 VanDerWaalsContact NE2-SG 3.38Å |
| 247 | L | 79.6 | Confident | 75.4 | Confident | 86 Ų | 86 | 94.2 Ų | 94.2 | 45% | 0.45 | 49% | 0.49 | S | S | . | . | trans | -79.2 | 153.4 | 174.2 | -73.4 | 167.9 | 0 | 0 | 0 | 111.3 | I236 K249 S250 C251 | I236-L247 HydrophobicContact CD1-CD2 3.54Å; I236-L247 HydrophobicContact CD1-CG 4.05Å; I236-L247 HydrophobicContact CG1-CD2 4.04Å; L247-K249 PolarHBondContact O-N 2.81Å; L247-S250 CarbonylContact O-C 3.42Å; L247-S250 PolarHBondContact O-N 2.97Å; L247-C251 PolarHBondContact O-N 2.95Å | ||
| 248 | S | 74.7 | Confident | 75 | Confident | 46 Ų | 46 | 91.8 Ų | 91.8 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -13.4 | 174.1 | -40 | 0 | 0 | 0 | 0 | 115 | R239 | R239-S248 WeakPolarHBondContact CB-OG 3.36Å; R239-S248 PolarHBondContact N-OG 3.02Å |
| 249 | K | 72.8 | Confident | 74.8 | Confident | 195 Ų | 195 | 94.9 Ų | 94.9 | 85% | 0.848 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.7 | 173.4 | -64.4 | -177.5 | 179.4 | 179.4 | 0 | 113.3 | L247 | L247-K249 PolarHBondContact O-N 2.81Š|
| 250 | S | 73 | Confident | 75 | Confident | 88 Ų | 88 | 84 Ų | 84 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -117.2 | 27.1 | -175.5 | -52 | 0 | 0 | 0 | 0 | 111.3 | L247 | L247-S250 CarbonylContact O-C 3.42Å; L247-S250 PolarHBondContact O-N 2.97Å |
| 251 | C | 78.4 | Confident | 74.8 | Confident | 23 Ų | 23 | 92 Ų | 92 | 16% | 0.155 | 50% | 0.499 | C | S | . | . | trans | -81.4 | 129.8 | -178.7 | -168.5 | 0 | 0 | 0 | 0 | 110.9 | C238 N240 H246 L247 H253 | C238-C251 VanDerWaalsContact SG-SG 3.64Å; N240-C251 HydrophobicContact CB-CB 4.26Å; N240-C251 PolarHBondContact ND2-SG 2.82Å; N240-C251 VanDerWaalsContact ND2-SG 3.36Å; H246-C251 PolarHBondContact NE2-SG 3.45Å; H246-C251 VanDerWaalsContact NE2-SG 3.38Å; L247-C251 PolarHBondContact O-N 2.95Å; C251-H253 PolarHBondContact O-N 2.95Å | ||
| 252 | P | 74.8 | Confident | 74.7 | Confident | 113 Ų | 113 | 95.5 Ų | 95.5 | 73% | 0.734 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -77.5 | -4.5 | 176.3 | 32.3 | -36.4 | 0 | 0 | 0 | 113.5 | ||
| 253 | H | 68.1 | Low | 74.5 | Confident | 98 Ų | 98 | 92.2 Ų | 92.2 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -94.5 | 150.2 | 172.9 | -72.1 | 15.1 | 0 | 0 | 0 | 110.6 | N240 C251 | N240-H253 PolarHBondContact ND2-O 2.86Å; N240-H253 VanDerWaalsContact ND2-O 3.13Å; C251-H253 PolarHBondContact O-N 2.95Å |
| 254 | P | 69.8 | Low | 74.3 | Confident | 117 Ų | 117 | 88.5 Ų | 88.5 | 76% | 0.76 | 50% | 0.5 | S | S | * | . | trans | -54.8 | 148 | 175.3 | 24.3 | -34.9 | 0 | 0 | 0 | 111.1 | N240 K256 | N240-P254 PolarHBondContact ND2-O 3.4Å; N240-P254 PolarHBondContact OD1-O 3.28Å; P254-K256 PolarHBondContact O-N 3.48Å | ||
| 255 | K | 70.9 | Confident | 74.1 | Confident | 176 Ų | 176 | 87.4 Ų | 87.4 | 77% | 0.765 | 50% | 0.495 | S | S | * | . | trans | -70.1 | 111.9 | -178.6 | -64.6 | 171.2 | -174 | 166.6 | 0 | 109.1 | V257 | K255-V257 PolarHBondContact O-N 2.98Š| ||
| 256 | K | 67.9 | Low | 73.7 | Confident | 137 Ų | 137 | 91.5 Ų | 91.5 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | trans | -53.8 | 124.3 | 165.2 | -70 | -177.8 | -176.8 | 164.5 | 0 | 108.1 | N240 P254 T258 | N240-K256 VanDerWaalsContact O-CD 3.23Å; N240-K256 WeakPolarHBondContact O-CD 3.36Å; N240-K256 WeakPolarHBondContact O-CE 3.41Å; N240-K256 PolarHBondContact O-NZ 3.34Å; N240-K256 PolarHBondContact OD1-N 3.42Å; P254-K256 PolarHBondContact O-N 3.48Å; K256-T258 PolarHBondContact O-N 2.97Å | ||
| 257 | V | 66.4 | Low | 73.5 | Confident | 77 Ų | 77 | 92.9 Ų | 92.9 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | trans | -69.7 | 103 | 173.8 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | K255 M266 G267 | K255-V257 PolarHBondContact O-N 2.98Å; V257-M266 HydrophobicContact CB-CE 4.04Å; V257-M266 HydrophobicContact CG1-CB 4.17Å; V257-G267 VanDerWaalsContact CG1-N 3.3Å | ||
| 258 | T | 69.8 | Low | 73.5 | Confident | 89 Ų | 89 | 90.6 Ų | 90.6 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 129.4 | 177.1 | -46 | 0 | 0 | 0 | 0 | 108.9 | K256 F261 | K256-T258 PolarHBondContact O-N 2.97Å; T258-F261 HydrophobicContact CG2-CE2 4.29Å; T258-F261 HydrophobicContact CG2-CZ 3.97Å |
| 259 | P | 77.3 | Confident | 73.6 | Confident | 66 Ų | 66 | 95.2 Ų | 95.2 | 43% | 0.429 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 153.4 | 173.7 | 26.3 | -34.2 | 0 | 0 | 0 | 110.7 | F261 G264 | P259-F261 PolarHBondContact O-N 2.99Å; P259-G264 WeakPolarHBondContact CB-O 3.23Å |
| 260 | C | 80.2 | Confident | 73.4 | Confident | 3 Ų | 3 | 87.2 Ų | 87.2 | 2% | 0.02 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 118.3 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | L262 C263 G264 S265 H268 A270 | C260-L262 PolarHBondContact O-N 2.85Å; C260-C263 PolarHBondContact O-N 2.94Å; C260-C263 VanDerWaalsContact O-N 3.11Å; C260-C263 VanDerWaalsContact SG-SG 3.67Å; C260-G264 WeakPolarHBondContact O-CA 3.41Å; C260-G264 PolarHBondContact O-N 3.09Å; C260-S265 WeakPolarHBondContact CB-O 3.39Å; C260-S265 PolarHBondContact N-O 2.75Å; C260-H268 VanDerWaalsContact CB-NE2 3.3Å; C260-H268 WeakPolarHBondContact CB-NE2 3.49Å; C260-H268 VanDerWaalsContact SG-CD2 3.56Å; C260-H268 PolarHBondContact SG-NE2 2.86Å; C260-A270 WeakPolarHBondContact SG-CB 3.28Å |
| 261 | F | 74.6 | Confident | 73.3 | Confident | 179 Ų | 179 | 89.4 Ų | 89.4 | 79% | 0.785 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -8.3 | 177.7 | -61.6 | -71.2 | 0 | 0 | 0 | 115.7 | T258 P259 A270 | T258-F261 HydrophobicContact CG2-CE2 4.29Å; T258-F261 HydrophobicContact CG2-CZ 3.97Å; P259-F261 PolarHBondContact O-N 2.99Å; F261-A270 HydrophobicContact CB-CB 4.38Å |
| 262 | L | 73.6 | Confident | 72.9 | Confident | 99 Ų | 99 | 92.9 Ų | 92.9 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -17.4 | 178.4 | -67.1 | 173.3 | 0 | 0 | 0 | 114.2 | C260 A270 C273 K276 | C260-L262 PolarHBondContact O-N 2.85Å; L262-A270 HydrophobicContact CB-CB 4.28Å; L262-A270 HydrophobicContact CD1-CB 3.72Å; L262-A270 HydrophobicContact CG-CB 3.73Å; L262-C273 HydrophobicContact CD1-CB 4.36Å; L262-K276 HydrophobicContact CD1-CG 4.02Å; L262-K276 VanDerWaalsContact CD1-NZ 3.28Å |
| 263 | C | 74.2 | Confident | 72.9 | Confident | 42 Ų | 42 | 87.9 Ų | 87.9 | 28% | 0.284 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.6 | 11.3 | -174.4 | 67 | 0 | 0 | 0 | 0 | 115.2 | C260 S265 H268 C273 N275 | C260-C263 PolarHBondContact O-N 2.94Å; C260-C263 VanDerWaalsContact O-N 3.11Å; C260-C263 VanDerWaalsContact SG-SG 3.67Å; C263-S265 PolarHBondContact O-N 2.84Å; C263-S265 PolarHBondContact SG-OG 3.03Å; C263-H268 VanDerWaalsContact SG-CE1 3.5Å; C263-H268 PolarHBondContact SG-NE2 3.11Å; C263-C273 PolarHBondContact SG-SG 2.85Å; C263-N275 HydrophobicContact CB-CB 4.13Å |
| 264 | G | 75.6 | Confident | 73 | Confident | 53 Ų | 53 | 86.9 Ų | 86.9 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | trans | 70 | -27.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | P259 C260 | P259-G264 WeakPolarHBondContact CB-O 3.23Å; C260-G264 WeakPolarHBondContact O-CA 3.41Å; C260-G264 PolarHBondContact O-N 3.09Å | ||
| 265 | S | 74.5 | Confident | 73.1 | Confident | 58 Ų | 58 | 84.7 Ų | 84.7 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | trans | -69.7 | 147.9 | -174.3 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | C260 C263 H268 | C260-S265 WeakPolarHBondContact CB-O 3.39Å; C260-S265 PolarHBondContact N-O 2.75Å; C263-S265 PolarHBondContact O-N 2.84Å; C263-S265 PolarHBondContact SG-OG 3.03Å; S265-H268 PolarHBondContact OG-CE1 3.11Å | ||
| 266 | M | 71.6 | Confident | 73.1 | Confident | 136 Ų | 136 | 78.1 Ų | 78.1 | 67% | 0.67 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -86.7 | 158.2 | -176.5 | -60.8 | 176.2 | 73.8 | 0 | 0 | 111.4 | V257 | V257-M266 HydrophobicContact CB-CE 4.04Å; V257-M266 HydrophobicContact CG1-CB 4.17Å |
| 267 | G | 76.6 | Confident | 73.4 | Confident | 69 Ų | 69 | 77 Ų | 77 | 71% | 0.711 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 100 | -12 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V257 | V257-G267 VanDerWaalsContact CG1-N 3.3Š|
| 268 | H | 78 | Confident | 73.8 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 18% | 0.181 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -136.2 | 158.4 | 175.7 | 71.8 | -101.6 | 0 | 0 | 0 | 112.1 | C260 C263 S265 C273 | C260-H268 VanDerWaalsContact CB-NE2 3.3Å; C260-H268 WeakPolarHBondContact CB-NE2 3.49Å; C260-H268 VanDerWaalsContact SG-CD2 3.56Å; C260-H268 PolarHBondContact SG-NE2 2.86Å; C263-H268 VanDerWaalsContact SG-CE1 3.5Å; C263-H268 PolarHBondContact SG-NE2 3.11Å; S265-H268 PolarHBondContact OG-CE1 3.11Å; H268-C273 WeakPolarHBondContact CD2-CA 3.4Å; H268-C273 WeakPolarHBondContact NE2-CA 3.4Å; H268-C273 WeakPolarHBondContact NE2-CB 3.36Å; H268-C273 PolarHBondContact NE2-SG 3.42Å |
| 269 | Q | 76.8 | Confident | 73.9 | Confident | 142 Ų | 142 | 75.6 Ų | 75.6 | 66% | 0.664 | 43% | 0.432 | S | S | * | . | trans | -96.2 | 166 | -177.5 | -67.6 | -172.7 | 14.5 | 0 | 0 | 112.8 | I271 T272 C273 | Q269-I271 PolarHBondContact O-N 2.94Å; Q269-T272 PolarHBondContact N-OG1 2.91Å; Q269-T272 PolarHBondContact O-N 2.84Å; Q269-C273 PolarHBondContact O-N 2.62Å | ||
| 270 | A | 70.3 | Confident | 73.4 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 22% | 0.223 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -33.4 | -36.7 | 165 | 0 | 0 | 0 | 0 | 0 | 115.8 | C260 F261 L262 K276 | C260-A270 WeakPolarHBondContact SG-CB 3.28Å; F261-A270 HydrophobicContact CB-CB 4.38Å; L262-A270 HydrophobicContact CB-CB 4.28Å; L262-A270 HydrophobicContact CD1-CB 3.72Å; L262-A270 HydrophobicContact CG-CB 3.73Å; A270-K276 WeakPolarHBondContact O-CE 3.39Å; A270-K276 PolarHBondContact O-NZ 2.86Å |
| 271 | I | 69.9 | Low | 72.7 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 69% | 0.692 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -30.1 | -176.4 | -62 | 170.9 | 0 | 0 | 0 | 112.8 | Q269 K276 | Q269-I271 PolarHBondContact O-N 2.94Å; I271-K276 VanDerWaalsContact C-CE 3.47Å; I271-K276 WeakPolarHBondContact O-CE 2.97Å |
| 272 | T | 70.1 | Confident | 72.5 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -111.2 | 26.5 | -171.5 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | Q269 | Q269-T272 PolarHBondContact N-OG1 2.91Å; Q269-T272 PolarHBondContact O-N 2.84Å |
| 273 | C | 75 | Confident | 72.2 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 5% | 0.054 | 40% | 0.404 | C | S | . | . | trans | -76.9 | 130.9 | 179.4 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | L262 C263 H268 Q269 N275 K276 | L262-C273 HydrophobicContact CD1-CB 4.36Å; C263-C273 PolarHBondContact SG-SG 2.85Å; H268-C273 WeakPolarHBondContact CD2-CA 3.4Å; H268-C273 WeakPolarHBondContact NE2-CA 3.4Å; H268-C273 WeakPolarHBondContact NE2-CB 3.36Å; H268-C273 PolarHBondContact NE2-SG 3.42Å; Q269-C273 PolarHBondContact O-N 2.62Å; C273-N275 PolarHBondContact SG-N 3.38Å; C273-K276 HydrophobicContact CB-CG 4.03Å; C273-K276 VanDerWaalsContact O-CG 3.28Å; C273-K276 WeakPolarHBondContact O-CG 3.22Å | ||
| 274 | P | 70.4 | Confident | 72 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -36.6 | 176.2 | 28.3 | -32.6 | 0 | 0 | 0 | 111.5 | K276 G285 | P274-K276 PolarHBondContact O-N 2.86Å; P274-G285 WeakPolarHBondContact O-CA 3.43Å; P274-G285 PolarHBondContact O-N 3.28Å |
| 275 | N | 70.8 | Confident | 71.7 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 33.9 | -179.6 | -61.7 | 19.4 | 0 | 0 | 0 | 112 | C263 C273 H277 | C263-N275 HydrophobicContact CB-CB 4.13Å; C273-N275 PolarHBondContact SG-N 3.38Å; N275-H277 PolarHBondContact O-N 3.24Å |
| 276 | K | 72.9 | Confident | 71.6 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 17% | 0.17 | 40% | 0.397 | C | S | . | . | trans | -78.4 | 107.9 | 175.1 | -91.6 | -174.7 | 174.5 | -57.3 | 0 | 111.5 | L262 A270 I271 C273 P274 C278 P284 G285 L287 | L262-K276 HydrophobicContact CD1-CG 4.02Å; L262-K276 VanDerWaalsContact CD1-NZ 3.28Å; A270-K276 WeakPolarHBondContact O-CE 3.39Å; A270-K276 PolarHBondContact O-NZ 2.86Å; I271-K276 VanDerWaalsContact C-CE 3.47Å; I271-K276 WeakPolarHBondContact O-CE 2.97Å; C273-K276 HydrophobicContact CB-CG 4.03Å; C273-K276 VanDerWaalsContact O-CG 3.28Å; C273-K276 WeakPolarHBondContact O-CG 3.22Å; P274-K276 PolarHBondContact O-N 2.86Å; K276-C278 PolarHBondContact O-N 2.87Å; K276-P284 CarbonylContact O-C 3.56Å; K276-P284 VanDerWaalsContact O-CA 3.23Å; K276-P284 WeakPolarHBondContact O-CA 3.18Å; K276-G285 PolarHBondContact O-N 3.36Å; K276-G285 VanDerWaalsContact O-N 3.13Å; K276-L287 HydrophobicContact CD-CD2 4.03Å | ||
| 277 | H | 73.1 | Confident | 71.5 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 52% | 0.523 | 39% | 0.387 | S | S | . | . | trans | -57.9 | 130.9 | 163.7 | -60.9 | -77.1 | 0 | 0 | 0 | 110.9 | N275 G282 Q283 | N275-H277 PolarHBondContact O-N 3.24Å; H277-G282 WeakPolarHBondContact CB-O 3.5Å; H277-G282 PolarHBondContact ND1-O 3.3Å; H277-Q283 CarbonylContact C-O 3.35Å; H277-Q283 WeakPolarHBondContact CA-O 3.1Å | ||
| 278 | C | 75.5 | Confident | 70.9 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.02 | 37% | 0.372 | C | S | . | . | trans | -80.7 | 122.8 | 176.7 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | K276 N280 C281 G282 Q283 H286 | K276-C278 PolarHBondContact O-N 2.87Å; C278-N280 PolarHBondContact O-N 3.14Å; C278-C281 PolarHBondContact O-N 2.87Å; C278-G282 WeakPolarHBondContact O-CA 3.16Å; C278-G282 PolarHBondContact O-N 2.83Å; C278-Q283 WeakPolarHBondContact CB-O 3.44Å; C278-Q283 PolarHBondContact N-O 2.96Å; C278-H286 WeakPolarHBondContact CB-O 3.47Å; C278-H286 VanDerWaalsContact SG-CD2 3.59Å; C278-H286 PolarHBondContact SG-NE2 2.81Å | ||
| 279 | N | 70.9 | Confident | 70.2 | Confident | 133 Ų | 133 | 74.2 Ų | 74.2 | 71% | 0.711 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 15.3 | 179.6 | -46.4 | 8.9 | 0 | 0 | 0 | 115.2 | S288 Y296 | N279-S288 WeakPolarHBondContact CB-OG 3.02Å; N279-S288 PolarHBondContact N-OG 2.97Å; N279-Y296 WeakPolarHBondContact O-CE1 3.48Å |
| 280 | N | 67.9 | Low | 69.4 | Low | 14 Ų | 14 | 75 Ų | 75 | 8% | 0.075 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -34 | 178.8 | -168.7 | 59.4 | 0 | 0 | 0 | 112.4 | C278 C291 E293 S295 Y296 | C278-N280 PolarHBondContact O-N 3.14Å; N280-C291 HydrophobicContact CB-CB 4.28Å; N280-C291 PolarHBondContact ND2-SG 3.48Å; N280-E293 PolarHBondContact ND2-O 3.18Å; N280-S295 WeakPolarHBondContact OD1-CA 3.49Å; N280-Y296 WeakPolarHBondContact OD1-CD1 3.39Å; N280-Y296 PolarHBondContact OD1-N 3.19Å |
| 281 | C | 65.8 | Low | 69.4 | Low | 41 Ų | 41 | 74.9 Ų | 74.9 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | 4 | -177 | 67.9 | 0 | 0 | 0 | 0 | 114.7 | C278 Q283 H286 C291 E293 | C278-C281 PolarHBondContact O-N 2.87Å; C281-Q283 PolarHBondContact O-N 3.35Å; C281-H286 PolarHBondContact SG-CE1 2.83Å; C281-H286 PolarHBondContact SG-NE2 3.03Å; C281-H286 VanDerWaalsContact SG-NE2 3.42Å; C281-C291 VanDerWaalsContact SG-SG 3.61Å; C281-E293 WeakPolarHBondContact CB-OE2 3.24Å |
| 282 | G | 68.7 | Low | 69.2 | Low | 31 Ų | 31 | 73.9 Ų | 73.9 | 32% | 0.32 | 41% | 0.409 | S | S | . | . | trans | 72.9 | -22.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | H277 C278 | H277-G282 WeakPolarHBondContact CB-O 3.5Å; H277-G282 PolarHBondContact ND1-O 3.3Å; C278-G282 WeakPolarHBondContact O-CA 3.16Å; C278-G282 PolarHBondContact O-N 2.83Å | ||
| 283 | Q | 68.4 | Low | 68.8 | Low | 108 Ų | 108 | 72.3 Ų | 72.3 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | trans | -63.4 | 143.3 | -177 | -68.6 | -172.8 | -14.9 | 0 | 0 | 112.9 | H277 C278 C281 | H277-Q283 CarbonylContact C-O 3.35Å; H277-Q283 WeakPolarHBondContact CA-O 3.1Å; C278-Q283 WeakPolarHBondContact CB-O 3.44Å; C278-Q283 PolarHBondContact N-O 2.96Å; C281-Q283 PolarHBondContact O-N 3.35Å | ||
| 284 | P | 68.9 | Low | 68 | Low | 40 Ų | 40 | 82.3 Ų | 82.3 | 26% | 0.26 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -66.5 | 172.8 | 171.5 | 29.7 | -35.1 | 0 | 0 | 0 | 112.4 | K276 H286 M400 | K276-P284 CarbonylContact O-C 3.56Å; K276-P284 VanDerWaalsContact O-CA 3.23Å; K276-P284 WeakPolarHBondContact O-CA 3.18Å; P284-H286 PolarHBondContact O-N 3.04Å; P284-M400 HydrophobicContact CG-CE 3.76Å |
| 285 | G | 69.6 | Low | 67.6 | Low | 61 Ų | 61 | 81.9 Ų | 81.9 | 63% | 0.629 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 90.3 | -14.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | P274 K276 | P274-G285 WeakPolarHBondContact O-CA 3.43Å; P274-G285 PolarHBondContact O-N 3.28Å; K276-G285 PolarHBondContact O-N 3.36Å; K276-G285 VanDerWaalsContact O-N 3.13Å |
| 286 | H | 73.5 | Confident | 67.2 | Low | 43 Ų | 43 | 81.7 Ų | 81.7 | 20% | 0.199 | 43% | 0.425 | C | S | . | . | trans | -147.7 | 158.6 | -176.7 | 72.1 | -80.8 | 0 | 0 | 0 | 115.5 | C278 C281 P284 C291 | C278-H286 WeakPolarHBondContact CB-O 3.47Å; C278-H286 VanDerWaalsContact SG-CD2 3.59Å; C278-H286 PolarHBondContact SG-NE2 2.81Å; C281-H286 PolarHBondContact SG-CE1 2.83Å; C281-H286 PolarHBondContact SG-NE2 3.03Å; C281-H286 VanDerWaalsContact SG-NE2 3.42Å; P284-H286 PolarHBondContact O-N 3.04Å; H286-C291 PolarHBondContact NE2-SG 3.46Å | ||
| 287 | L | 68.3 | Low | 66.8 | Low | 88 Ų | 88 | 84 Ų | 84 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | trans | -91.7 | 151.7 | 176.1 | -67.2 | 161.9 | 0 | 0 | 0 | 110.2 | K276 R289 F290 C291 | K276-L287 HydrophobicContact CD-CD2 4.03Å; L287-R289 PolarHBondContact O-N 2.91Å; L287-F290 HydrophobicContact CB-CD2 4.31Å; L287-F290 CarbonylContact O-C 3.43Å; L287-F290 PolarHBondContact O-N 2.87Å; L287-C291 PolarHBondContact O-N 2.94Å | ||
| 288 | S | 64.6 | Low | 66.4 | Low | 54 Ų | 54 | 86 Ų | 86 | 38% | 0.378 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15 | 179.9 | -40 | 0 | 0 | 0 | 0 | 115.5 | N279 | N279-S288 WeakPolarHBondContact CB-OG 3.02Å; N279-S288 PolarHBondContact N-OG 2.97Å |
| 289 | R | 62.3 | Low | 66.2 | Low | 236 Ų | 236 | 89.4 Ų | 89.4 | 89% | 0.891 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -18.1 | 173.2 | -67.1 | -175.3 | 178.7 | 179.1 | -0.4 | 114.2 | L287 | L287-R289 PolarHBondContact O-N 2.91Š|
| 290 | F | 60.2 | Low | 66.3 | Low | 159 Ų | 159 | 87.5 Ų | 87.5 | 70% | 0.697 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -115.3 | 16.3 | 177.2 | -58.2 | -64.2 | 0 | 0 | 0 | 111.4 | L287 | L287-F290 HydrophobicContact CB-CD2 4.31Å; L287-F290 CarbonylContact O-C 3.43Å; L287-F290 PolarHBondContact O-N 2.87Å |
| 291 | C | 70.2 | Confident | 66.9 | Low | 23 Ų | 23 | 86.9 Ų | 86.9 | 16% | 0.155 | 44% | 0.44 | C | S | . | . | trans | -76.3 | 125.8 | 174.7 | -169 | 0 | 0 | 0 | 0 | 109.5 | N280 C281 H286 L287 E293 | N280-C291 HydrophobicContact CB-CB 4.28Å; N280-C291 PolarHBondContact ND2-SG 3.48Å; C281-C291 VanDerWaalsContact SG-SG 3.61Å; H286-C291 PolarHBondContact NE2-SG 3.46Å; L287-C291 PolarHBondContact O-N 2.94Å; C291-E293 PolarHBondContact O-N 3.23Å | ||
| 292 | S | 65.3 | Low | 67.3 | Low | 114 Ų | 114 | 93.2 Ų | 93.2 | 80% | 0.797 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -67.9 | -15.8 | 176.5 | -47.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 293 | E | 62.1 | Low | 67.5 | Low | 63 Ų | 63 | 94.2 Ų | 94.2 | 29% | 0.294 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -86 | 137.8 | -175.7 | -163.5 | -175.4 | 164.2 | 0 | 0 | 112.5 | N280 C281 C291 S295 K299 | N280-E293 PolarHBondContact ND2-O 3.18Å; C281-E293 WeakPolarHBondContact CB-OE2 3.24Å; C291-E293 PolarHBondContact O-N 3.23Å; E293-S295 PolarHBondContact O-N 3.45Å; E293-K299 IonicContact OE1-NZ 3.84Å; E293-K299 PolarHBondContact OE1-NZ 3.06Å |
| 294 | R | 59.7 | Low | 67.7 | Low | 218 Ų | 218 | 90.2 Ų | 90.2 | 82% | 0.823 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 131.2 | 174.3 | -78.7 | -177.5 | 165.7 | 101.3 | -4.8 | 111.3 | Y296 | R294-Y296 PolarHBondContact O-N 3.24Š|
| 295 | S | 61.6 | Low | 67.9 | Low | 68 Ų | 68 | 91.9 Ų | 91.9 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 126.7 | -176.4 | -47.4 | 0 | 0 | 0 | 0 | 113.5 | N280 E293 W297 H298 | N280-S295 WeakPolarHBondContact OD1-CA 3.49Å; E293-S295 PolarHBondContact O-N 3.45Å; S295-W297 PolarHBondContact O-N 2.79Å; S295-H298 PolarHBondContact O-N 3.26Å |
| 296 | Y | 62.8 | Low | 67.9 | Low | 66 Ų | 66 | 90.9 Ų | 90.9 | 26% | 0.259 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -51.5 | -32.8 | -173.9 | 58.1 | -94.6 | 0 | 0 | 0 | 114.6 | N279 N280 R294 H298 K299 G308 | N279-Y296 WeakPolarHBondContact O-CE1 3.48Å; N280-Y296 WeakPolarHBondContact OD1-CD1 3.39Å; N280-Y296 PolarHBondContact OD1-N 3.19Å; R294-Y296 PolarHBondContact O-N 3.24Å; Y296-H298 PolarHBondContact O-N 3.04Å; Y296-K299 PolarHBondContact O-N 3.38Å; Y296-G308 WeakPolarHBondContact O-CA 3.32Å |
| 297 | W | 62.4 | Low | 67.9 | Low | 87 Ų | 87 | 95 Ų | 95 | 33% | 0.33 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -47.4 | -25.7 | 176.9 | -59.9 | 113.3 | 0 | 0 | 0 | 115.7 | S295 F364 | S295-W297 PolarHBondContact O-N 2.79Å; W297-F364 AromaticContact CH2-CE1 3.54Å; W297-F364 HydrophobicContact CH2-CE1 3.54Å; W297-F364 HydrophobicContact CH2-CZ 4.08Å; W297-F364 AromaticContact CZ2-CE1 3.96Å; W297-F364 HydrophobicContact CZ2-CE1 3.96Å; W297-F364 HydrophobicContact CZ2-CZ 4.06Å; W297-F364 AromaticContact CZ3-CE1 3.93Å; W297-F364 HydrophobicContact CZ3-CE1 3.93Å |
| 298 | H | 64.8 | Low | 68.1 | Low | 157 Ų | 157 | 91.4 Ų | 91.4 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -105.7 | -11.4 | 179.5 | -62 | 139.1 | 0 | 0 | 0 | 114.9 | S295 Y296 | S295-H298 PolarHBondContact O-N 3.26Å; Y296-H298 PolarHBondContact O-N 3.04Å |
| 299 | K | 72.7 | Confident | 68.6 | Low | 74 Ų | 74 | 90.3 Ų | 90.3 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 138.5 | 173 | -70.2 | -172.1 | 172.2 | -172.1 | 0 | 109 | E293 Y296 R307 G308 F310 | E293-K299 IonicContact OE1-NZ 3.84Å; E293-K299 PolarHBondContact OE1-NZ 3.06Å; Y296-K299 PolarHBondContact O-N 3.38Å; K299-R307 CarbonylContact O-C 3.59Å; K299-R307 VanDerWaalsContact O-CA 3.24Å; K299-R307 WeakPolarHBondContact O-CA 3.38Å; K299-G308 PolarHBondContact O-N 3.19Å; K299-F310 HydrophobicContact CD-CD1 4.42Å; K299-F310 HydrophobicContact CD-CE1 3.76Å; K299-F310 HydrophobicContact CD-CZ 4.46Å |
| 300 | Q | 73.1 | Confident | 69.1 | Low | 92 Ų | 92 | 82.1 Ų | 82.1 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -95.8 | 129.5 | 176.1 | 179.7 | 164.3 | -29.1 | 0 | 0 | 109.1 | S305 R307 | Q300-S305 WeakPolarHBondContact CG-O 3.43Å; Q300-S305 PolarHBondContact NE2-OG 3.19Å; Q300-S305 VanDerWaalsContact NE2-OG 3.11Å; Q300-R307 HydrophobicContact CB-CG 4.18Å |
| 301 | C | 79.1 | Confident | 69.6 | Low | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 126.5 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 110 | R303 S305 M306 H309 | C301-R303 PolarHBondContact O-N 3.17Å; C301-S305 WeakPolarHBondContact O-CA 3.15Å; C301-S305 PolarHBondContact O-N 3.39Å; C301-M306 WeakPolarHBondContact CB-O 3.43Å; C301-M306 PolarHBondContact N-O 3.36Å; C301-H309 VanDerWaalsContact CB-NE2 3.34Å; C301-H309 WeakPolarHBondContact CB-NE2 3.37Å; C301-H309 PolarHBondContact SG-NE2 2.88Å |
| 302 | H | 75.9 | Confident | 69.8 | Low | 174 Ų | 174 | 77.5 Ų | 77.5 | 81% | 0.806 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.1 | -178.2 | -64.1 | -107 | 0 | 0 | 0 | 113.3 | C311 | H302-C311 PolarHBondContact N-SG 2.91Š|
| 303 | R | 71.1 | Confident | 70.3 | Confident | 51 Ų | 51 | 77.1 Ų | 77.1 | 19% | 0.192 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -39.4 | -177.2 | -67.1 | 174.1 | 162.5 | -130.8 | -11.1 | 114.2 | C301 C311 S375 D378 | C301-R303 PolarHBondContact O-N 3.17Å; R303-C311 WeakPolarHBondContact CD-O 3.5Å; R303-S375 PolarHBondContact O-OG 3.39Å; R303-D378 IonicContact CZ-OD1 2.68Å; R303-D378 IonicContact CZ-OD2 3.31Å; R303-D378 IonicContact NE-OD1 2.65Å; R303-D378 IonicContact NH1-OD1 2.91Å; R303-D378 PolarHBondContact NH1-OD1 3.5Å; R303-D378 IonicContact NH1-OD2 3.01Å; R303-D378 PolarHBondContact NH1-OD2 3.34Å; R303-D378 VanDerWaalsContact NH2-CG 3.28Å; R303-D378 IonicContact NH2-OD1 3.2Å; R303-D378 PolarHBondContact NH2-OD1 3.26Å; R303-D378 VanDerWaalsContact NH2-OD1 3.1Å; R303-D378 IonicContact NH2-OD2 2.7Å; R303-D378 PolarHBondContact NH2-OD2 2.98Å |
| 304 | C | 72.6 | Confident | 71.2 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -1.1 | -176.1 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | M306 H309 C314 S375 | C304-M306 PolarHBondContact O-N 2.96Å; C304-H309 VanDerWaalsContact SG-CE1 3.57Å; C304-H309 PolarHBondContact SG-NE2 3.48Å; C304-C314 VanDerWaalsContact SG-SG 3.69Å; C304-S375 WeakPolarHBondContact CA-OG 3.07Å |
| 305 | S | 73.2 | Confident | 72 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | trans | 55.6 | 5.7 | -175.7 | -77.1 | 0 | 0 | 0 | 0 | 116.9 | Q300 C301 | Q300-S305 WeakPolarHBondContact CG-O 3.43Å; Q300-S305 PolarHBondContact NE2-OG 3.19Å; Q300-S305 VanDerWaalsContact NE2-OG 3.11Å; C301-S305 WeakPolarHBondContact O-CA 3.15Å; C301-S305 PolarHBondContact O-N 3.39Å | ||
| 306 | M | 70.3 | Confident | 72.5 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 20% | 0.202 | 31% | 0.31 | C | S | . | . | trans | -69 | 155.8 | 165.5 | -61.1 | 179.3 | 63.6 | 0 | 0 | 110.2 | C301 C304 F368 P369 | C301-M306 WeakPolarHBondContact CB-O 3.43Å; C301-M306 PolarHBondContact N-O 3.36Å; C304-M306 PolarHBondContact O-N 2.96Å; M306-F368 HydrophobicContact CE-CB 3.65Å; M306-P369 WeakPolarHBondContact CE-O 3.32Å | ||
| 307 | R | 74.6 | Confident | 73.1 | Confident | 128 Ų | 128 | 60.8 Ų | 60.8 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -96.9 | 164.3 | 175.6 | -66.5 | 177.7 | -176.1 | 173.9 | 0.5 | 111.3 | K299 Q300 F368 | K299-R307 CarbonylContact O-C 3.59Å; K299-R307 VanDerWaalsContact O-CA 3.24Å; K299-R307 WeakPolarHBondContact O-CA 3.38Å; Q300-R307 HydrophobicContact CB-CG 4.18Å; R307-F368 HydrophobicContact CB-CD2 4.44Å; R307-F368 HydrophobicContact CB-CE1 4.11Å; R307-F368 HydrophobicContact CB-CE2 3.84Å; R307-F368 HydrophobicContact CB-CZ 3.66Å; R307-F368 WeakPolarHBondContact O-CD2 3.41Å; R307-F368 VanDerWaalsContact O-CE2 3.25Å; R307-F368 WeakPolarHBondContact O-CE2 3.35Å |
| 308 | G | 72.3 | Confident | 73.7 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 86.4 | 12.3 | 169 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y296 K299 | Y296-G308 WeakPolarHBondContact O-CA 3.32Å; K299-G308 PolarHBondContact O-N 3.19Å |
| 309 | H | 73.9 | Confident | 74 | Confident | 31 Ų | 31 | 62 Ų | 62 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -147.7 | 157.4 | 167.1 | 59.4 | -99.6 | 0 | 0 | 0 | 110.8 | C301 C304 C314 | C301-H309 VanDerWaalsContact CB-NE2 3.34Å; C301-H309 WeakPolarHBondContact CB-NE2 3.37Å; C301-H309 PolarHBondContact SG-NE2 2.88Å; C304-H309 VanDerWaalsContact SG-CE1 3.57Å; C304-H309 PolarHBondContact SG-NE2 3.48Å; H309-C314 PolarHBondContact NE2-SG 2.86Å |
| 310 | F | 73 | Confident | 73.8 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 28% | 0.281 | 29% | 0.289 | S | S | . | . | trans | -82.3 | 163.3 | 175.3 | -63.3 | -82 | 0 | 0 | 0 | 111.4 | K299 D312 D313 C314 | K299-F310 HydrophobicContact CD-CD1 4.42Å; K299-F310 HydrophobicContact CD-CE1 3.76Å; K299-F310 HydrophobicContact CD-CZ 4.46Å; F310-D312 PolarHBondContact O-N 2.83Å; F310-D313 CarbonylContact O-C 3.59Å; F310-D313 PolarHBondContact O-N 3.32Å; F310-C314 PolarHBondContact O-N 2.95Å | ||
| 311 | C | 71.9 | Confident | 73.6 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 24% | 0.243 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -57.4 | -34.5 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 113 | H302 R303 C314 I317 | H302-C311 PolarHBondContact N-SG 2.91Å; R303-C311 WeakPolarHBondContact CD-O 3.5Å; C311-C314 WeakPolarHBondContact O-CB 3.29Å; C311-I317 WeakPolarHBondContact O-CD1 3.34Å |
| 312 | D | 74 | Confident | 72.6 | Confident | 49 Ų | 49 | 67 Ų | 67 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -32.7 | -179.3 | -59.4 | -10.8 | 0 | 0 | 0 | 112.6 | F310 C314 I317 K393 | F310-D312 PolarHBondContact O-N 2.83Å; D312-C314 VanDerWaalsContact C-N 3.34Å; D312-I317 WeakPolarHBondContact O-CD1 3.47Å; D312-K393 IonicContact OD2-NZ 2.62Å; D312-K393 PolarHBondContact OD2-NZ 3.33Å |
| 313 | D | 74.6 | Confident | 71.5 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 15.9 | -179.6 | -55.2 | -59.8 | 0 | 0 | 0 | 112.3 | F310 | F310-D313 CarbonylContact O-C 3.59Å; F310-D313 PolarHBondContact O-N 3.32Å |
| 314 | C | 80.9 | Confident | 70.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -65.7 | 125.8 | -175.1 | -173 | 0 | 0 | 0 | 0 | 110.7 | C304 H309 F310 C311 D312 E316 I317 | C304-C314 VanDerWaalsContact SG-SG 3.69Å; H309-C314 PolarHBondContact NE2-SG 2.86Å; F310-C314 PolarHBondContact O-N 2.95Å; C311-C314 WeakPolarHBondContact O-CB 3.29Å; D312-C314 VanDerWaalsContact C-N 3.34Å; C314-E316 PolarHBondContact O-N 3.23Å; C314-E316 WeakPolarHBondContact SG-CB 3.36Å; C314-I317 HydrophobicContact CB-CD1 4.11Å; C314-I317 HydrophobicContact CB-CG1 4.34Å; C314-I317 WeakPolarHBondContact O-CB 3.21Å; C314-I317 PolarHBondContact O-N 3.23Å | ||
| 315 | P | 77.3 | Confident | 69.7 | Low | 55 Ų | 55 | 71.6 Ų | 71.6 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62 | -16.4 | 177.8 | 26.7 | -34.6 | 0 | 0 | 0 | 112.8 | I317 W318 R319 | P315-I317 VanDerWaalsContact C-N 3.31Å; P315-W318 PolarHBondContact O-N 3.4Å; P315-R319 WeakPolarHBondContact O-CG 3.21Å; P315-R319 PolarHBondContact O-N 3.01Å |
| 316 | E | 71.8 | Confident | 68.8 | Low | 15 Ų | 15 | 77.2 Ų | 77.2 | 7% | 0.07 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.5 | -31.6 | 173.7 | -154.6 | 69.9 | -81.3 | 0 | 0 | 113.2 | C314 W318 R319 Q320 I374 S375 | C314-E316 PolarHBondContact O-N 3.23Å; C314-E316 WeakPolarHBondContact SG-CB 3.36Å; E316-W318 PolarHBondContact O-N 3.34Å; E316-R319 PolarHBondContact O-N 2.92Å; E316-R319 WeakPolarHBondContact OE1-CB 3.34Å; E316-R319 WeakPolarHBondContact OE1-CD 3.41Å; E316-Q320 PolarHBondContact O-N 3.43Å; E316-I374 HydrophobicContact CG-CG2 4.11Å; E316-I374 WeakPolarHBondContact OE1-CA 3.22Å; E316-I374 WeakPolarHBondContact OE1-CG1 3.42Å; E316-I374 WeakPolarHBondContact OE2-CA 3.27Å; E316-S375 PolarHBondContact OE2-N 3.31Å; E316-S375 PolarHBondContact OE2-OG 2.99Å |
| 317 | I | 75.9 | Confident | 67.7 | Low | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.015 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 175.2 | -69.9 | 162.5 | 0 | 0 | 0 | 110.3 | C311 D312 C314 P315 Y321 | C311-I317 WeakPolarHBondContact O-CD1 3.34Å; D312-I317 WeakPolarHBondContact O-CD1 3.47Å; C314-I317 HydrophobicContact CB-CD1 4.11Å; C314-I317 HydrophobicContact CB-CG1 4.34Å; C314-I317 WeakPolarHBondContact O-CB 3.21Å; C314-I317 PolarHBondContact O-N 3.23Å; P315-I317 VanDerWaalsContact C-N 3.31Å; I317-Y321 HydrophobicContact CG2-CE2 4.13Å; I317-Y321 WeakPolarHBondContact O-CD2 3.28Å; I317-Y321 VanDerWaalsContact O-CE2 3.26Å; I317-Y321 WeakPolarHBondContact O-CE2 3.47Å |
| 318 | W | 74.2 | Confident | 67 | Low | 193 Ų | 193 | 82.7 Ų | 82.7 | 73% | 0.731 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -76 | -31.8 | -179.4 | -59 | 103.8 | 0 | 0 | 0 | 112.3 | P315 E316 | P315-W318 PolarHBondContact O-N 3.4Å; E316-W318 PolarHBondContact O-N 3.34Å |
| 319 | R | 71.7 | Confident | 66.5 | Low | 76 Ų | 76 | 87.7 Ų | 87.7 | 29% | 0.287 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.7 | -34.4 | 174.8 | -69 | 170.1 | -178.2 | -75.8 | -9.6 | 112.6 | P315 E316 Y321 H322 I374 | P315-R319 WeakPolarHBondContact O-CG 3.21Å; P315-R319 PolarHBondContact O-N 3.01Å; E316-R319 PolarHBondContact O-N 2.92Å; E316-R319 WeakPolarHBondContact OE1-CB 3.34Å; E316-R319 WeakPolarHBondContact OE1-CD 3.41Å; R319-Y321 PolarHBondContact O-N 2.63Å; R319-Y321 VanDerWaalsContact O-N 3.16Å; R319-H322 WeakPolarHBondContact O-CB 3.49Å; R319-H322 PolarHBondContact O-CD2 3.02Å; R319-H322 PolarHBondContact O-N 3Å; R319-H322 VanDerWaalsContact O-N 3.17Å; R319-I374 HydrophobicContact CB-CD1 4.34Å; R319-I374 HydrophobicContact CB-CG1 3.9Å |
| 320 | Q | 68.5 | Low | 65.5 | Low | 34 Ų | 34 | 91.3 Ų | 91.3 | 16% | 0.159 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -56.1 | -32.1 | 177.2 | 178.5 | 167.1 | -1 | 0 | 0 | 113.1 | E316 H322 Y377 D378 | E316-Q320 PolarHBondContact O-N 3.43Å; Q320-H322 PolarHBondContact O-N 3.5Å; Q320-Y377 HydrophobicContact CG-CD1 3.97Å; Q320-D378 VanDerWaalsContact CD-N 3.3Å; Q320-D378 VanDerWaalsContact NE2-N 3.11Å; Q320-D378 PolarHBondContact NE2-O 3.23Å; Q320-D378 VanDerWaalsContact OE1-CB 3.25Å |
| 321 | Y | 68.9 | Low | 64.7 | Low | 105 Ų | 105 | 93.4 Ų | 93.4 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 5.4 | -178.1 | -65.2 | -67.1 | 0 | 0 | 0 | 115.1 | I317 R319 I323 T324 R386 | I317-Y321 HydrophobicContact CG2-CE2 4.13Å; I317-Y321 WeakPolarHBondContact O-CD2 3.28Å; I317-Y321 VanDerWaalsContact O-CE2 3.26Å; I317-Y321 WeakPolarHBondContact O-CE2 3.47Å; R319-Y321 PolarHBondContact O-N 2.63Å; R319-Y321 VanDerWaalsContact O-N 3.16Å; Y321-I323 PolarHBondContact O-N 3.32Å; Y321-T324 PolarHBondContact O-N 2.67Å; Y321-R386 PolarHBondContact OH-NH2 3.01Å |
| 322 | H | 59 | Low | 63.9 | Low | 133 Ų | 133 | 100.9 Ų | 100.9 | 62% | 0.616 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.1 | -171.5 | -82.9 | -40.5 | 0 | 0 | 0 | 116.5 | R319 Q320 | R319-H322 WeakPolarHBondContact O-CB 3.49Å; R319-H322 PolarHBondContact O-CD2 3.02Å; R319-H322 PolarHBondContact O-N 3Å; R319-H322 VanDerWaalsContact O-N 3.17Å; Q320-H322 PolarHBondContact O-N 3.5Å |
| 323 | I | 51.8 | Low | 62.9 | Low | 107 Ų | 107 | 107 Ų | 107 | 55% | 0.549 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 39.7 | 177 | -32.6 | 178 | 0 | 0 | 0 | 113.5 | Y321 | Y321-I323 PolarHBondContact O-N 3.32Š|
| 324 | T | 55.4 | Low | 61.6 | Low | 94 Ų | 94 | 107.9 Ų | 107.9 | 58% | 0.577 | 56% | 0.556 | S | S | * | * | trans | -134.4 | 69.3 | -179 | 60 | 0 | 0 | 0 | 0 | 115.5 | Y321 | Y321-T324 PolarHBondContact O-N 2.67Š| ||
| 325 | T | 50.3 | Low | 60.4 | Low | 146 Ų | 146 | 111.7 Ų | 111.7 | 90% | 0.896 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -114.7 | -0.6 | 159.3 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 326 | K | 53.8 | Low | 58.9 | Low | 192 Ų | 192 | 112 Ų | 112 | 84% | 0.835 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -142.1 | 146.3 | 166.6 | -62.7 | -171.5 | -179.2 | -175.7 | 0 | 109.4 | G328 | K326-G328 PolarHBondContact O-N 2.96Š|
| 327 | K | 48.9 | Very low | 58.2 | Low | 226 Ų | 226 | 119.7 Ų | 119.7 | 98% | 0.983 | 65% | 0.65 | S | S | * | * | trans | -76 | 116.6 | 168.6 | -70.2 | -175.7 | -179.4 | 179 | 0 | 108.7 | ||||
| 328 | G | 59.3 | Low | 57.1 | Low | 58 Ų | 58 | 122.6 Ų | 122.6 | 60% | 0.598 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -175.1 | 168.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K326 | K326-G328 PolarHBondContact O-N 2.96Š|
| 329 | P | 60.5 | Low | 56 | Low | 119 Ų | 119 | 121.8 Ų | 121.8 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -58.1 | 145.5 | 175 | -22.9 | 34.3 | 0 | 0 | 0 | 111.4 | V331 | P329-V331 PolarHBondContact O-N 3.44Å; P329-V331 VanDerWaalsContact O-N 3.12Å |
| 330 | P | 54 | Low | 55.5 | Low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | trans | -61.6 | 118.8 | -177.4 | 24.6 | -33.7 | 0 | 0 | 0 | 110.6 | K332 | P330-K332 PolarHBondContact O-N 2.99Š| ||
| 331 | V | 56.6 | Low | 55.1 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | trans | -65.9 | 103.6 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | P329 Q333 | P329-V331 PolarHBondContact O-N 3.44Å; P329-V331 VanDerWaalsContact O-N 3.12Å; V331-Q333 PolarHBondContact O-N 2.86Å | ||
| 332 | K | 54.8 | Low | 55 | Low | 192 Ų | 192 | 128.8 Ų | 128.8 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 127.1 | 162.7 | -66.4 | -180 | 179.5 | 179 | 0 | 107 | P330 | P330-K332 PolarHBondContact O-N 2.99Š|
| 333 | Q | 52.7 | Low | 55.7 | Low | 179 Ų | 179 | 124.1 Ų | 124.1 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 143.6 | 177.8 | -70 | -168.7 | -18.1 | 0 | 0 | 109.8 | V331 G335 | V331-Q333 PolarHBondContact O-N 2.86Å; Q333-G335 PolarHBondContact O-N 3.29Å |
| 334 | P | 47.4 | Very low | 57.1 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 125.7 | 173.4 | -24.4 | 34.2 | 0 | 0 | 0 | 109.8 | G336 | P334-G336 PolarHBondContact O-N 3.18Š|
| 335 | G | 55.3 | Low | 58.4 | Low | 81 Ų | 81 | 122 Ų | 122 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | trans | -68.7 | 86.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q333 | Q333-G335 PolarHBondContact O-N 3.29Š| ||
| 336 | G | 47 | Very low | 59.7 | Low | 61 Ų | 61 | 121.6 Ų | 121.6 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | trans | -108.2 | 108.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P334 G338 | P334-G336 PolarHBondContact O-N 3.18Å; G336-G338 PolarHBondContact O-N 3.43Å | ||
| 337 | D | 55.5 | Low | 60.7 | Low | 176 Ų | 176 | 114.2 Ų | 114.2 | 94% | 0.941 | 66% | 0.659 | S | S | * | * | trans | -74.3 | 33.9 | 177.6 | -56 | -57.3 | 0 | 0 | 0 | 112.7 | H339 | D337-H339 PolarHBondContact O-N 2.95Š| ||
| 338 | G | 53.4 | Low | 62.2 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | trans | -91.6 | 93.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | G336 | G336-G338 PolarHBondContact O-N 3.43Š| ||
| 339 | H | 51.7 | Low | 63.3 | Low | 177 Ų | 177 | 106.3 Ų | 106.3 | 82% | 0.819 | 62% | 0.623 | S | S | * | * | trans | 42.4 | 92.7 | 166.5 | -86.9 | -110.9 | 0 | 0 | 0 | 115.7 | D337 S341 | D337-H339 PolarHBondContact O-N 2.95Å; H339-S341 VanDerWaalsContact C-N 3.35Å; H339-S341 PolarHBondContact O-N 3.4Å | ||
| 340 | Q | 60.3 | Low | 64.3 | Low | 198 Ų | 198 | 107 Ų | 107 | 93% | 0.925 | 61% | 0.613 | S | S | * | * | trans | -59.9 | 98 | 159.5 | -70.5 | -176.9 | -1.9 | 0 | 0 | 109.6 | A342 | Q340-A342 PolarHBondContact O-N 2.93Š| ||
| 341 | S | 61.2 | Low | 65.7 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 78% | 0.783 | 61% | 0.612 | S | S | * | * | trans | -49.6 | 109.3 | 170.9 | -65.5 | 0 | 0 | 0 | 0 | 109.1 | H339 A343 | H339-S341 VanDerWaalsContact C-N 3.35Å; H339-S341 PolarHBondContact O-N 3.4Å; S341-A343 PolarHBondContact O-N 2.73Å | ||
| 342 | A | 66.9 | Low | 66.9 | Low | 52 Ų | 52 | 107.3 Ų | 107.3 | 43% | 0.43 | 62% | 0.615 | S | S | . | * | trans | -52.4 | 109.6 | -162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q340 Y344 | Q340-A342 PolarHBondContact O-N 2.93Å; A342-Y344 HydrophobicContact CB-CE2 4.46Å; A342-Y344 WeakPolarHBondContact O-CD2 3.42Å; A342-Y344 VanDerWaalsContact O-CE2 3.22Å; A342-Y344 WeakPolarHBondContact O-CE2 3.41Å; A342-Y344 PolarHBondContact O-N 2.89Å | ||
| 343 | A | 73.5 | Confident | 68.3 | Low | 34 Ų | 34 | 100.1 Ų | 100.1 | 28% | 0.281 | 58% | 0.584 | S | S | . | * | trans | -59.9 | 108.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S341 K351 G352 H353 L354 | S341-A343 PolarHBondContact O-N 2.73Å; A343-K351 CarbonylContact O-C 3.59Å; A343-K351 WeakPolarHBondContact O-CA 3.36Å; A343-G352 PolarHBondContact O-N 3.42Å; A343-H353 PolarHBondContact O-N 3.26Å; A343-L354 HydrophobicContact CB-CD2 3.84Å; A343-L354 HydrophobicContact CB-CG 4.01Å | ||
| 344 | Y | 81.1 | Confident | 69.4 | Low | 156 Ų | 156 | 95.4 Ų | 95.4 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | B | Isolated β-bridge | trans | -89.3 | 127.8 | 176 | -68.3 | -79.8 | 0 | 0 | 0 | 110 | A342 Y346 K351 | A342-Y344 HydrophobicContact CB-CE2 4.46Å; A342-Y344 WeakPolarHBondContact O-CD2 3.42Å; A342-Y344 VanDerWaalsContact O-CE2 3.22Å; A342-Y344 WeakPolarHBondContact O-CE2 3.41Å; A342-Y344 PolarHBondContact O-N 2.89Å; Y344-Y346 PolarHBondContact O-N 3.5Å; Y344-K351 HydrophobicContact CD1-CB 3.99Å; Y344-K351 HydrophobicContact CE1-CB 3.71Å |
| 345 | C | 82.1 | Confident | 70.7 | Confident | 2 Ų | 2 | 89.7 Ų | 89.7 | 1% | 0.014 | 53% | 0.527 | C | S | . | . | trans | -70.1 | 116.6 | 179.3 | 175.7 | 0 | 0 | 0 | 0 | 112 | N347 C348 S349 K350 H353 C358 | C345-N347 PolarHBondContact O-N 3.32Å; C345-N347 PolarHBondContact SG-N 2.96Å; C345-N347 VanDerWaalsContact SG-N 3.43Å; C345-C348 PolarHBondContact O-N 2.82Å; C345-S349 WeakPolarHBondContact O-CA 3.36Å; C345-S349 PolarHBondContact O-N 2.93Å; C345-K350 PolarHBondContact N-O 2.84Å; C345-H353 WeakPolarHBondContact CA-O 3.43Å; C345-H353 WeakPolarHBondContact CB-NE2 3.31Å; C345-H353 WeakPolarHBondContact CB-O 3.41Å; C345-H353 PolarHBondContact N-O 2.95Å; C345-H353 PolarHBondContact SG-NE2 3.16Å; C345-C358 WeakPolarHBondContact SG-CB 3.47Å; C345-C358 PolarHBondContact SG-SG 3.12Å | ||
| 346 | Y | 77 | Confident | 71.4 | Confident | 137 Ų | 137 | 88.9 Ų | 88.9 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17.7 | 177.6 | 61.4 | -116.7 | 0 | 0 | 0 | 115.1 | Y344 G355 R362 S370 | Y344-Y346 PolarHBondContact O-N 3.5Å; Y346-G355 VanDerWaalsContact CE1-CA 3.47Å; Y346-R362 PolarHBondContact OH-NH2 3.28Å; Y346-S370 PolarHBondContact OH-OG 2.95Å |
| 347 | N | 75.9 | Confident | 72.5 | Confident | 36 Ų | 36 | 90.6 Ų | 90.6 | 19% | 0.193 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -12.6 | 179.6 | -172.7 | 60.1 | 0 | 0 | 0 | 113.5 | C345 C358 K360 Q361 R362 | C345-N347 PolarHBondContact O-N 3.32Å; C345-N347 PolarHBondContact SG-N 2.96Å; C345-N347 VanDerWaalsContact SG-N 3.43Å; N347-C358 HydrophobicContact CB-CB 4.36Å; N347-K360 PolarHBondContact ND2-O 3.43Å; N347-K360 VanDerWaalsContact ND2-O 3.13Å; N347-Q361 PolarHBondContact ND2-O 3.33Å; N347-R362 WeakPolarHBondContact OD1-CA 3.15Å |
| 348 | C | 80.7 | Confident | 73.6 | Confident | 19 Ų | 19 | 82.9 Ų | 82.9 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -151.8 | 4.5 | -175 | 82.4 | 0 | 0 | 0 | 0 | 117.6 | C345 K350 H353 C358 K360 | C345-C348 PolarHBondContact O-N 2.82Å; C348-K350 PolarHBondContact O-N 2.75Å; C348-H353 PolarHBondContact SG-CE1 3.17Å; C348-C358 VanDerWaalsContact SG-SG 3.66Å; C348-K360 HydrophobicContact CB-CB 4.39Å; C348-K360 HydrophobicContact CB-CD 3.5Å; C348-K360 VanDerWaalsContact CB-CD 3.5Å; C348-K360 HydrophobicContact CB-CG 3.98Å |
| 349 | S | 81.1 | Confident | 74.6 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 70% | 0.699 | 46% | 0.461 | S | S | * | . | trans | 56.9 | 7.5 | 176.6 | -47.2 | 0 | 0 | 0 | 0 | 116.4 | C345 | C345-S349 WeakPolarHBondContact O-CA 3.36Å; C345-S349 PolarHBondContact O-N 2.93Å | ||
| 350 | K | 82.8 | Confident | 75.7 | Confident | 132 Ų | 132 | 83.4 Ų | 83.4 | 57% | 0.574 | 45% | 0.445 | S | S | * | . | trans | -74.7 | 136.4 | 170.4 | -69.8 | -170.9 | 170.9 | -168.9 | 0 | 110.1 | C345 C348 | C345-K350 PolarHBondContact N-O 2.84Å; C348-K350 PolarHBondContact O-N 2.75Å | ||
| 351 | K | 82.3 | Confident | 76 | Confident | 154 Ų | 154 | 82.9 Ų | 82.9 | 67% | 0.67 | 44% | 0.442 | S | S | * | . | B | Isolated β-bridge | trans | -68.4 | 154.1 | 166.8 | 60.5 | -177.8 | 179 | 180 | 0 | 111.8 | A343 Y344 | A343-K351 CarbonylContact O-C 3.59Å; A343-K351 WeakPolarHBondContact O-CA 3.36Å; Y344-K351 HydrophobicContact CD1-CB 3.99Å; Y344-K351 HydrophobicContact CE1-CB 3.71Å |
| 352 | G | 82.2 | Confident | 76.4 | Confident | 70 Ų | 70 | 79.3 Ų | 79.3 | 72% | 0.722 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 91.3 | 9.9 | 169 | 0 | 0 | 0 | 0 | 0 | 116.1 | A343 | A343-G352 PolarHBondContact O-N 3.42Š|
| 353 | H | 83.2 | Confident | 76 | Confident | 41 Ų | 41 | 86 Ų | 86 | 19% | 0.19 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -153.3 | 146.6 | 166.2 | 70.8 | -79.4 | 0 | 0 | 0 | 110.8 | A343 C345 C348 E357 C358 | A343-H353 PolarHBondContact O-N 3.26Å; C345-H353 WeakPolarHBondContact CA-O 3.43Å; C345-H353 WeakPolarHBondContact CB-NE2 3.31Å; C345-H353 WeakPolarHBondContact CB-O 3.41Å; C345-H353 PolarHBondContact N-O 2.95Å; C345-H353 PolarHBondContact SG-NE2 3.16Å; C348-H353 PolarHBondContact SG-CE1 3.17Å; H353-E357 WeakPolarHBondContact CA-OE2 3.34Å; H353-E357 HydrophobicContact CB-CB 4.01Å; H353-C358 PolarHBondContact NE2-SG 2.91Å; H353-C358 VanDerWaalsContact NE2-SG 3.42Å |
| 354 | L | 77.8 | Confident | 75.2 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 42% | 0.419 | 45% | 0.446 | S | S | . | . | trans | -82.1 | 157.7 | 174.7 | -72.9 | 168 | 0 | 0 | 0 | 110.1 | A343 Y356 E357 | A343-L354 HydrophobicContact CB-CD2 3.84Å; A343-L354 HydrophobicContact CB-CG 4.01Å; L354-Y356 HydrophobicContact CB-CD1 3.82Å; L354-Y356 HydrophobicContact CB-CE1 3.32Å; L354-Y356 HydrophobicContact CD1-CE1 3.71Å; L354-Y356 HydrophobicContact CG-CE1 4.14Å; L354-Y356 PolarHBondContact O-N 2.93Å; L354-E357 PolarHBondContact N-OE2 3.18Å; L354-E357 WeakPolarHBondContact O-CB 3.45Å; L354-E357 PolarHBondContact O-N 2.81Å | ||
| 355 | G | 73.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 88 Ų | 88 | 1% | 0.01 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y346 C358 R362 | Y346-G355 VanDerWaalsContact CE1-CA 3.47Å; G355-C358 VanDerWaalsContact O-CB 3.26Å; G355-C358 WeakPolarHBondContact O-CB 3.28Å; G355-C358 PolarHBondContact O-N 2.74Å; G355-R362 PolarHBondContact O-NH2 3.32Å |
| 356 | Y | 70 | Confident | 72.7 | Confident | 65 Ų | 65 | 88.4 Ų | 88.4 | 26% | 0.255 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -28.7 | 173.1 | 65.3 | -101.4 | 0 | 0 | 0 | 113.2 | L354 C358 S370 P372 | L354-Y356 HydrophobicContact CB-CD1 3.82Å; L354-Y356 HydrophobicContact CB-CE1 3.32Å; L354-Y356 HydrophobicContact CD1-CE1 3.71Å; L354-Y356 HydrophobicContact CG-CE1 4.14Å; L354-Y356 PolarHBondContact O-N 2.93Å; Y356-C358 PolarHBondContact O-N 3.1Å; Y356-S370 WeakPolarHBondContact CB-O 3.08Å; Y356-P372 HydrophobicContact CD1-CB 4.09Å; Y356-P372 HydrophobicContact CD1-CG 4.08Å; Y356-P372 HydrophobicContact CD2-CG 4Å; Y356-P372 HydrophobicContact CE1-CB 3.86Å; Y356-P372 HydrophobicContact CE1-CG 3.81Å; Y356-P372 HydrophobicContact CE2-CG 3.76Å; Y356-P372 HydrophobicContact CG-CG 4.21Å |
| 357 | E | 70.6 | Confident | 71.7 | Confident | 97 Ų | 97 | 86 Ų | 86 | 45% | 0.453 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -76.6 | -5.3 | 170.3 | -76.6 | 140 | -170.2 | 0 | 0 | 112.5 | H353 L354 T359 | H353-E357 WeakPolarHBondContact CA-OE2 3.34Å; H353-E357 HydrophobicContact CB-CB 4.01Å; L354-E357 PolarHBondContact N-OE2 3.18Å; L354-E357 WeakPolarHBondContact O-CB 3.45Å; L354-E357 PolarHBondContact O-N 2.81Å; E357-T359 PolarHBondContact O-N 2.81Å; E357-T359 VanDerWaalsContact O-N 3.13Å |
| 358 | C | 78.5 | Confident | 70.8 | Confident | 13 Ų | 13 | 87.4 Ų | 87.4 | 9% | 0.088 | 47% | 0.465 | C | S | . | . | trans | -72.8 | 109.8 | -171.6 | -164.3 | 0 | 0 | 0 | 0 | 112.5 | C345 N347 C348 H353 G355 Y356 K360 | C345-C358 WeakPolarHBondContact SG-CB 3.47Å; C345-C358 PolarHBondContact SG-SG 3.12Å; N347-C358 HydrophobicContact CB-CB 4.36Å; C348-C358 VanDerWaalsContact SG-SG 3.66Å; H353-C358 PolarHBondContact NE2-SG 2.91Å; H353-C358 VanDerWaalsContact NE2-SG 3.42Å; G355-C358 VanDerWaalsContact O-CB 3.26Å; G355-C358 WeakPolarHBondContact O-CB 3.28Å; G355-C358 PolarHBondContact O-N 2.74Å; Y356-C358 PolarHBondContact O-N 3.1Å; C358-K360 VanDerWaalsContact C-N 3.26Å; C358-K360 PolarHBondContact O-N 2.7Å | ||
| 359 | T | 73.6 | Confident | 69.8 | Low | 144 Ų | 144 | 89.9 Ų | 89.9 | 88% | 0.883 | 48% | 0.481 | S | S | * | . | trans | -75.2 | -7.9 | 174.3 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | E357 | E357-T359 PolarHBondContact O-N 2.81Å; E357-T359 VanDerWaalsContact O-N 3.13Å | ||
| 360 | K | 74.9 | Confident | 68.7 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 47% | 0.47 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -69.8 | 143.4 | 173.7 | -66.4 | -150.2 | -166.4 | 175.2 | 0 | 110.7 | N347 C348 C358 R362 | N347-K360 PolarHBondContact ND2-O 3.43Å; N347-K360 VanDerWaalsContact ND2-O 3.13Å; C348-K360 HydrophobicContact CB-CB 4.39Å; C348-K360 HydrophobicContact CB-CD 3.5Å; C348-K360 VanDerWaalsContact CB-CD 3.5Å; C348-K360 HydrophobicContact CB-CG 3.98Å; C358-K360 VanDerWaalsContact C-N 3.26Å; C358-K360 PolarHBondContact O-N 2.7Å; K360-R362 PolarHBondContact O-N 3.09Å |
| 361 | Q | 68 | Low | 67.7 | Low | 187 Ų | 187 | 87.2 Ų | 87.2 | 87% | 0.874 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 136 | 168.1 | -174.3 | 174.5 | 4 | 0 | 0 | 110.5 | N347 | N347-Q361 PolarHBondContact ND2-O 3.33Š|
| 362 | R | 69.7 | Low | 66.7 | Low | 37 Ų | 37 | 82 Ų | 82 | 14% | 0.14 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 143.4 | 179.2 | -66.6 | 177.9 | 164.7 | -134.9 | -13.4 | 110.5 | Y346 N347 G355 K360 F364 V367 F368 | Y346-R362 PolarHBondContact OH-NH2 3.28Å; N347-R362 WeakPolarHBondContact OD1-CA 3.15Å; G355-R362 PolarHBondContact O-NH2 3.32Å; K360-R362 PolarHBondContact O-N 3.09Å; R362-F364 PolarHBondContact O-N 2.91Å; R362-F364 VanDerWaalsContact O-N 3.1Å; R362-V367 WeakPolarHBondContact CD-O 3.25Å; R362-V367 PolarHBondContact NH1-O 3.31Å; R362-F368 PolarHBondContact NH1-O 3.06Å |
| 363 | M | 57.5 | Low | 65.7 | Low | 193 Ų | 193 | 85.1 Ų | 85.1 | 95% | 0.951 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -60 | -22.1 | -178 | -70.1 | 178.2 | 63.8 | 0 | 0 | 113.9 | ||
| 364 | F | 57.5 | Low | 64.9 | Low | 113 Ų | 113 | 85 Ų | 85 | 50% | 0.496 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -129.6 | 122.4 | 175.8 | -167.6 | -90 | 0 | 0 | 0 | 110.3 | W297 R362 G366 V367 | W297-F364 AromaticContact CH2-CE1 3.54Å; W297-F364 HydrophobicContact CH2-CE1 3.54Å; W297-F364 HydrophobicContact CH2-CZ 4.08Å; W297-F364 AromaticContact CZ2-CE1 3.96Å; W297-F364 HydrophobicContact CZ2-CE1 3.96Å; W297-F364 HydrophobicContact CZ2-CZ 4.06Å; W297-F364 AromaticContact CZ3-CE1 3.93Å; W297-F364 HydrophobicContact CZ3-CE1 3.93Å; R362-F364 PolarHBondContact O-N 2.91Å; R362-F364 VanDerWaalsContact O-N 3.1Å; F364-G366 VanDerWaalsContact CD1-N 3.29Å; F364-G366 PolarHBondContact O-N 2.95Å; F364-V367 HydrophobicContact CB-CG2 4.34Å; F364-V367 HydrophobicContact CD1-CG2 3.99Å; F364-V367 PolarHBondContact O-N 3.41Å |
| 365 | S | 53.6 | Low | 64.3 | Low | 119 Ų | 119 | 84.3 Ų | 84.3 | 83% | 0.832 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.4 | -172.5 | 50.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 366 | G | 56.4 | Low | 63.9 | Low | 11 Ų | 11 | 88.5 Ų | 88.5 | 11% | 0.113 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -7.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | F364 F368 | F364-G366 VanDerWaalsContact CD1-N 3.29Å; F364-G366 PolarHBondContact O-N 2.95Å; G366-F368 VanDerWaalsContact O-CD2 3.24Å; G366-F368 WeakPolarHBondContact O-CD2 3.48Å; G366-F368 WeakPolarHBondContact O-CE2 3.47Å; G366-F368 PolarHBondContact O-N 3.13Å |
| 367 | V | 56.2 | Low | 64 | Low | 85 Ų | 85 | 92.4 Ų | 92.4 | 52% | 0.515 | 47% | 0.471 | S | S | . | . | trans | -94 | 82.1 | 178.1 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | R362 F364 | R362-V367 WeakPolarHBondContact CD-O 3.25Å; R362-V367 PolarHBondContact NH1-O 3.31Å; F364-V367 HydrophobicContact CB-CG2 4.34Å; F364-V367 HydrophobicContact CD1-CG2 3.99Å; F364-V367 PolarHBondContact O-N 3.41Å | ||
| 368 | F | 56.4 | Low | 64.3 | Low | 67 Ų | 67 | 88.4 Ų | 88.4 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | trans | -59 | 156 | 178.7 | -62.1 | -84.7 | 0 | 0 | 0 | 112.6 | M306 R307 R362 G366 S370 | M306-F368 HydrophobicContact CE-CB 3.65Å; R307-F368 HydrophobicContact CB-CD2 4.44Å; R307-F368 HydrophobicContact CB-CE1 4.11Å; R307-F368 HydrophobicContact CB-CE2 3.84Å; R307-F368 HydrophobicContact CB-CZ 3.66Å; R307-F368 WeakPolarHBondContact O-CD2 3.41Å; R307-F368 VanDerWaalsContact O-CE2 3.25Å; R307-F368 WeakPolarHBondContact O-CE2 3.35Å; R362-F368 PolarHBondContact NH1-O 3.06Å; G366-F368 VanDerWaalsContact O-CD2 3.24Å; G366-F368 WeakPolarHBondContact O-CD2 3.48Å; G366-F368 WeakPolarHBondContact O-CE2 3.47Å; G366-F368 PolarHBondContact O-N 3.13Å; F368-S370 PolarHBondContact O-N 2.9Å; F368-S370 VanDerWaalsContact O-N 3.09Å | ||
| 369 | P | 59.5 | Low | 64.4 | Low | 71 Ų | 71 | 91.3 Ų | 91.3 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | trans | -53.9 | 116.2 | 176.5 | -27 | 36.3 | 0 | 0 | 0 | 112 | M306 Y371 | M306-P369 WeakPolarHBondContact CE-O 3.32Å; P369-Y371 PolarHBondContact O-N 3.37Å | ||
| 370 | S | 59.2 | Low | 64.4 | Low | 37 Ų | 37 | 89.4 Ų | 89.4 | 26% | 0.259 | 46% | 0.459 | S | S | . | . | trans | -71.6 | 91.7 | 179.8 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | Y346 Y356 F368 | Y346-S370 PolarHBondContact OH-OG 2.95Å; Y356-S370 WeakPolarHBondContact CB-O 3.08Å; F368-S370 PolarHBondContact O-N 2.9Å; F368-S370 VanDerWaalsContact O-N 3.09Å | ||
| 371 | Y | 60.8 | Low | 64.5 | Low | 139 Ų | 139 | 92 Ų | 92 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | trans | -57.5 | 131.9 | 179.8 | -158.4 | -122.1 | 0 | 0 | 0 | 109.6 | P369 F373 | P369-Y371 PolarHBondContact O-N 3.37Å; Y371-F373 HydrophobicContact CD1-CB 4.14Å; Y371-F373 HydrophobicContact CD1-CD2 4.44Å; Y371-F373 VanDerWaalsContact CD1-O 3.29Å; Y371-F373 WeakPolarHBondContact CD1-O 3.09Å; Y371-F373 HydrophobicContact CE1-CB 3.81Å; Y371-F373 AromaticContact CE1-CD2 3.85Å; Y371-F373 HydrophobicContact CE1-CD2 3.85Å; Y371-F373 HydrophobicContact CE1-CG 4.34Å; Y371-F373 HydrophobicContact CE2-CD2 4.2Å; Y371-F373 AromaticContact CZ-CD2 3.7Å | ||
| 372 | P | 61.8 | Low | 65 | Low | 45 Ų | 45 | 84.3 Ų | 84.3 | 29% | 0.292 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -84.9 | -16.3 | -172 | 34.4 | -37.5 | 0 | 0 | 0 | 112.9 | Y356 | Y356-P372 HydrophobicContact CD1-CB 4.09Å; Y356-P372 HydrophobicContact CD1-CG 4.08Å; Y356-P372 HydrophobicContact CD2-CG 4Å; Y356-P372 HydrophobicContact CE1-CB 3.86Å; Y356-P372 HydrophobicContact CE1-CG 3.81Å; Y356-P372 HydrophobicContact CE2-CG 3.76Å; Y356-P372 HydrophobicContact CG-CG 4.21Å |
| 373 | F | 61.6 | Low | 65.4 | Low | 134 Ų | 134 | 84.8 Ų | 84.8 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -99.2 | 140.5 | -178.9 | -51.4 | -75 | 0 | 0 | 0 | 110.7 | Y371 S375 | Y371-F373 HydrophobicContact CD1-CB 4.14Å; Y371-F373 HydrophobicContact CD1-CD2 4.44Å; Y371-F373 VanDerWaalsContact CD1-O 3.29Å; Y371-F373 WeakPolarHBondContact CD1-O 3.09Å; Y371-F373 HydrophobicContact CE1-CB 3.81Å; Y371-F373 AromaticContact CE1-CD2 3.85Å; Y371-F373 HydrophobicContact CE1-CD2 3.85Å; Y371-F373 HydrophobicContact CE1-CG 4.34Å; Y371-F373 HydrophobicContact CE2-CD2 4.2Å; Y371-F373 AromaticContact CZ-CD2 3.7Å; F373-S375 PolarHBondContact O-N 2.87Å |
| 374 | I | 67.3 | Low | 66.3 | Low | 40 Ų | 40 | 80 Ų | 80 | 21% | 0.205 | 42% | 0.418 | C | S | . | . | trans | -70.3 | 117.5 | 178.2 | -66.7 | 155.4 | 0 | 0 | 0 | 109.6 | E316 R319 H376 Y377 | E316-I374 HydrophobicContact CG-CG2 4.11Å; E316-I374 WeakPolarHBondContact OE1-CA 3.22Å; E316-I374 WeakPolarHBondContact OE1-CG1 3.42Å; E316-I374 WeakPolarHBondContact OE2-CA 3.27Å; R319-I374 HydrophobicContact CB-CD1 4.34Å; R319-I374 HydrophobicContact CB-CG1 3.9Å; I374-H376 VanDerWaalsContact CG2-O 3.26Å; I374-H376 WeakPolarHBondContact CG2-O 3.2Å; I374-Y377 HydrophobicContact CB-CE2 3.99Å; I374-Y377 HydrophobicContact CD1-CE1 3.88Å; I374-Y377 HydrophobicContact CD1-CE2 4.47Å; I374-Y377 WeakPolarHBondContact CD1-OH 3.44Å; I374-Y377 HydrophobicContact CG2-CD1 4.35Å; I374-Y377 HydrophobicContact CG2-CD2 3.74Å; I374-Y377 HydrophobicContact CG2-CE1 4.26Å; I374-Y377 HydrophobicContact CG2-CE2 3.64Å; I374-Y377 HydrophobicContact CG2-CG 4.1Å | ||
| 375 | S | 63.4 | Low | 67.4 | Low | 64 Ų | 64 | 80.9 Ų | 80.9 | 45% | 0.448 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -75.3 | -28.9 | -179.1 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | R303 C304 E316 F373 | R303-S375 PolarHBondContact O-OG 3.39Å; C304-S375 WeakPolarHBondContact CA-OG 3.07Å; E316-S375 PolarHBondContact OE2-N 3.31Å; E316-S375 PolarHBondContact OE2-OG 2.99Å; F373-S375 PolarHBondContact O-N 2.87Å |
| 376 | H | 66.4 | Low | 68.7 | Low | 90 Ų | 90 | 76.6 Ų | 76.6 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | trans | -153.3 | 136.7 | 180 | -173.3 | -88.5 | 0 | 0 | 0 | 110 | I374 | I374-H376 VanDerWaalsContact CG2-O 3.26Å; I374-H376 WeakPolarHBondContact CG2-O 3.2Å | ||
| 377 | Y | 72.3 | Confident | 69.8 | Low | 146 Ų | 146 | 80.6 Ų | 80.6 | 57% | 0.573 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -98.6 | 118.5 | 169.5 | -71.4 | -100.7 | 0 | 0 | 0 | 108.3 | Q320 I374 T379 | Q320-Y377 HydrophobicContact CG-CD1 3.97Å; I374-Y377 HydrophobicContact CB-CE2 3.99Å; I374-Y377 HydrophobicContact CD1-CE1 3.88Å; I374-Y377 HydrophobicContact CD1-CE2 4.47Å; I374-Y377 WeakPolarHBondContact CD1-OH 3.44Å; I374-Y377 HydrophobicContact CG2-CD1 4.35Å; I374-Y377 HydrophobicContact CG2-CD2 3.74Å; I374-Y377 HydrophobicContact CG2-CE1 4.26Å; I374-Y377 HydrophobicContact CG2-CE2 3.64Å; I374-Y377 HydrophobicContact CG2-CG 4.1Å; Y377-T379 PolarHBondContact O-N 3Å |
| 378 | D | 76.1 | Confident | 71 | Confident | 14 Ų | 14 | 82 Ų | 82 | 8% | 0.075 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 131.7 | 174.3 | -77.8 | 4 | 0 | 0 | 0 | 111.2 | R303 Q320 D382 I383 R386 | R303-D378 IonicContact CZ-OD1 2.68Å; R303-D378 IonicContact CZ-OD2 3.31Å; R303-D378 IonicContact NE-OD1 2.65Å; R303-D378 IonicContact NH1-OD1 2.91Å; R303-D378 PolarHBondContact NH1-OD1 3.5Å; R303-D378 IonicContact NH1-OD2 3.01Å; R303-D378 PolarHBondContact NH1-OD2 3.34Å; R303-D378 VanDerWaalsContact NH2-CG 3.28Å; R303-D378 IonicContact NH2-OD1 3.2Å; R303-D378 PolarHBondContact NH2-OD1 3.26Å; R303-D378 VanDerWaalsContact NH2-OD1 3.1Å; R303-D378 IonicContact NH2-OD2 2.7Å; R303-D378 PolarHBondContact NH2-OD2 2.98Å; Q320-D378 VanDerWaalsContact CD-N 3.3Å; Q320-D378 VanDerWaalsContact NE2-N 3.11Å; Q320-D378 PolarHBondContact NE2-O 3.23Å; Q320-D378 VanDerWaalsContact OE1-CB 3.25Å; D378-D382 HydrophobicContact CB-CB 3.92Å; D378-I383 HydrophobicContact CB-CG1 3.88Å; D378-R386 IonicContact OD2-NE 3.8Å |
| 379 | T | 79.9 | Confident | 72.2 | Confident | 73 Ų | 73 | 80.5 Ų | 80.5 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 169.8 | 167.6 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | Y377 K381 D382 I383 | Y377-T379 PolarHBondContact O-N 3Å; T379-K381 PolarHBondContact O-N 2.86Å; T379-K381 PolarHBondContact OG1-N 2.86Å; T379-D382 WeakPolarHBondContact CB-OD2 3.39Å; T379-D382 WeakPolarHBondContact CG2-OD2 3.26Å; T379-D382 PolarHBondContact N-OD2 3.4Å; T379-D382 PolarHBondContact O-N 3.43Å; T379-D382 VanDerWaalsContact OG1-CG 3.27Å; T379-D382 PolarHBondContact OG1-N 3.2Å; T379-D382 PolarHBondContact OG1-OD2 3.3Å; T379-I383 WeakPolarHBondContact O-CG1 3.26Å; T379-I383 PolarHBondContact O-N 3.24Å |
| 380 | V | 75.1 | Confident | 73.1 | Confident | 105 Ų | 105 | 82.3 Ų | 82.3 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.2 | -36.4 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | D382 I383 N384 | V380-D382 VanDerWaalsContact C-N 3.33Å; V380-D382 PolarHBondContact O-N 3.37Å; V380-I383 PolarHBondContact O-N 2.63Å; V380-N384 WeakPolarHBondContact O-CB 3.06Å; V380-N384 VanDerWaalsContact O-CG 3.23Å; V380-N384 PolarHBondContact O-N 3.46Å; V380-N384 PolarHBondContact O-OD1 2.96Å |
| 381 | K | 76.5 | Confident | 74.3 | Confident | 163 Ų | 163 | 87 Ų | 87 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.9 | -37.4 | 174.7 | -69.6 | -165.6 | 175.4 | -166.8 | 0 | 111.8 | T379 R385 | T379-K381 PolarHBondContact O-N 2.86Å; T379-K381 PolarHBondContact OG1-N 2.86Å; K381-R385 VanDerWaalsContact O-CB 3.29Å; K381-R385 WeakPolarHBondContact O-CB 3.41Å; K381-R385 PolarHBondContact O-N 3.26Å; K381-R385 PolarHBondContact O-NH1 3.46Å |
| 382 | D | 77.6 | Confident | 75.3 | Confident | 24 Ų | 24 | 83.3 Ų | 83.3 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -74.8 | -37.1 | 179.8 | -52 | -49.7 | 0 | 0 | 0 | 112.5 | D378 T379 V380 R385 R386 | D378-D382 HydrophobicContact CB-CB 3.92Å; T379-D382 WeakPolarHBondContact CB-OD2 3.39Å; T379-D382 WeakPolarHBondContact CG2-OD2 3.26Å; T379-D382 PolarHBondContact N-OD2 3.4Å; T379-D382 PolarHBondContact O-N 3.43Å; T379-D382 VanDerWaalsContact OG1-CG 3.27Å; T379-D382 PolarHBondContact OG1-N 3.2Å; T379-D382 PolarHBondContact OG1-OD2 3.3Å; V380-D382 VanDerWaalsContact C-N 3.33Å; V380-D382 PolarHBondContact O-N 3.37Å; D382-R385 IonicContact OD1-CZ 3.96Å; D382-R385 VanDerWaalsContact OD1-CZ 3.31Å; D382-R385 IonicContact OD1-NH1 3.22Å; D382-R385 PolarHBondContact OD1-NH1 3.22Å; D382-R385 IonicContact OD1-NH2 2.63Å; D382-R385 PolarHBondContact OD1-NH2 2.88Å; D382-R386 WeakPolarHBondContact O-CB 3.45Å; D382-R386 PolarHBondContact O-N 3Å |
| 383 | I | 77.4 | Confident | 76 | Confident | 47 Ų | 47 | 85.9 Ų | 85.9 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 171.8 | -65.2 | 168.6 | 0 | 0 | 0 | 109.6 | D378 T379 V380 R385 R386 L387 | D378-I383 HydrophobicContact CB-CG1 3.88Å; T379-I383 WeakPolarHBondContact O-CG1 3.26Å; T379-I383 PolarHBondContact O-N 3.24Å; V380-I383 PolarHBondContact O-N 2.63Å; I383-R385 PolarHBondContact O-N 3.4Å; I383-R386 PolarHBondContact O-N 2.89Å; I383-L387 HydrophobicContact CG2-CD1 3.99Å; I383-L387 HydrophobicContact CG2-CG 4.43Å; I383-L387 WeakPolarHBondContact O-CG 3.39Å; I383-L387 PolarHBondContact O-N 2.99Å |
| 384 | N | 78.3 | Confident | 76.8 | Confident | 93 Ų | 93 | 81.8 Ų | 81.8 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 179.2 | -70.7 | -1.4 | 0 | 0 | 0 | 111.7 | V380 R386 L387 H388 | V380-N384 WeakPolarHBondContact O-CB 3.06Å; V380-N384 VanDerWaalsContact O-CG 3.23Å; V380-N384 PolarHBondContact O-N 3.46Å; V380-N384 PolarHBondContact O-OD1 2.96Å; N384-R386 VanDerWaalsContact C-N 3.34Å; N384-R386 PolarHBondContact O-N 3.47Å; N384-L387 PolarHBondContact O-N 3.26Å; N384-H388 WeakPolarHBondContact O-CB 3.48Å; N384-H388 PolarHBondContact O-N 2.95Å |
| 385 | R | 80.4 | Confident | 77.3 | Confident | 131 Ų | 131 | 83.8 Ų | 83.8 | 49% | 0.494 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 175.8 | -169.7 | 164.2 | 69.3 | -96 | 0.5 | 112.5 | K381 D382 I383 K389 | K381-R385 VanDerWaalsContact O-CB 3.29Å; K381-R385 WeakPolarHBondContact O-CB 3.41Å; K381-R385 PolarHBondContact O-N 3.26Å; K381-R385 PolarHBondContact O-NH1 3.46Å; D382-R385 IonicContact OD1-CZ 3.96Å; D382-R385 VanDerWaalsContact OD1-CZ 3.31Å; D382-R385 IonicContact OD1-NH1 3.22Å; D382-R385 PolarHBondContact OD1-NH1 3.22Å; D382-R385 IonicContact OD1-NH2 2.63Å; D382-R385 PolarHBondContact OD1-NH2 2.88Å; I383-R385 PolarHBondContact O-N 3.4Å; R385-K389 WeakPolarHBondContact O-CG 3.39Å; R385-K389 PolarHBondContact O-N 2.96Å; R385-K389 VanDerWaalsContact O-N 3.09Å |
| 386 | R | 79.3 | Confident | 77.9 | Confident | 29 Ų | 29 | 84.3 Ų | 84.3 | 11% | 0.109 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 172.3 | 178.5 | 166.8 | 57.3 | 95.8 | -4.5 | 111.8 | Y321 D378 D382 I383 N384 H388 K389 M390 | Y321-R386 PolarHBondContact OH-NH2 3.01Å; D378-R386 IonicContact OD2-NE 3.8Å; D382-R386 WeakPolarHBondContact O-CB 3.45Å; D382-R386 PolarHBondContact O-N 3Å; I383-R386 PolarHBondContact O-N 2.89Å; N384-R386 VanDerWaalsContact C-N 3.34Å; N384-R386 PolarHBondContact O-N 3.47Å; R386-H388 VanDerWaalsContact C-N 3.3Å; R386-H388 PolarHBondContact O-N 2.96Å; R386-K389 PolarHBondContact O-N 2.84Å; R386-M390 HydrophobicContact CG-SD 4.47Å; R386-M390 WeakPolarHBondContact O-CG 3.48Å; R386-M390 PolarHBondContact O-N 2.98Å |
| 387 | L | 81.1 | Confident | 78 | Confident | 96 Ų | 96 | 85.6 Ų | 85.6 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 176.4 | -69.7 | 172.7 | 0 | 0 | 0 | 111.8 | I383 N384 M390 K391 | I383-L387 HydrophobicContact CG2-CD1 3.99Å; I383-L387 HydrophobicContact CG2-CG 4.43Å; I383-L387 WeakPolarHBondContact O-CG 3.39Å; I383-L387 PolarHBondContact O-N 2.99Å; N384-L387 PolarHBondContact O-N 3.26Å; L387-M390 PolarHBondContact O-N 3.12Å; L387-K391 PolarHBondContact O-N 3.45Å |
| 388 | H | 81.6 | Confident | 78.1 | Confident | 114 Ų | 114 | 84.4 Ų | 84.4 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 174.7 | -169.7 | -133 | 0 | 0 | 0 | 111.8 | N384 R386 M390 K391 I392 | N384-H388 WeakPolarHBondContact O-CB 3.48Å; N384-H388 PolarHBondContact O-N 2.95Å; R386-H388 VanDerWaalsContact C-N 3.3Å; R386-H388 PolarHBondContact O-N 2.96Å; H388-M390 VanDerWaalsContact C-N 3.28Å; H388-M390 PolarHBondContact O-N 3.45Å; H388-K391 PolarHBondContact O-N 3.43Å; H388-K391 VanDerWaalsContact O-N 3.13Å; H388-I392 WeakPolarHBondContact O-CG1 3.39Å; H388-I392 PolarHBondContact O-N 2.96Å |
| 389 | K | 80.1 | Confident | 77.6 | Confident | 36 Ų | 36 | 87.7 Ų | 87.7 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.2 | -33 | 175.9 | -71.9 | -170.4 | 174.9 | -162.2 | 0 | 112.8 | L15 R385 R386 K393 | L15-K389 HydrophobicContact CD2-CD 4.15Å; L15-K389 VanDerWaalsContact O-CE 3.25Å; L15-K389 WeakPolarHBondContact O-CE 3.31Å; L15-K389 PolarHBondContact O-NZ 2.97Å; R385-K389 WeakPolarHBondContact O-CG 3.39Å; R385-K389 PolarHBondContact O-N 2.96Å; R385-K389 VanDerWaalsContact O-N 3.09Å; R386-K389 PolarHBondContact O-N 2.84Å; K389-K393 WeakPolarHBondContact O-CB 3.33Å; K389-K393 VanDerWaalsContact O-CG 3.31Å; K389-K393 WeakPolarHBondContact O-CG 3.37Å; K389-K393 PolarHBondContact O-N 3.27Å |
| 390 | M | 78.8 | Confident | 76.6 | Confident | 108 Ų | 108 | 87.8 Ų | 87.8 | 53% | 0.532 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.4 | -39.5 | 172.4 | -69.2 | -169.9 | 78.7 | 0 | 0 | 112.8 | R386 L387 H388 K393 A394 | R386-M390 HydrophobicContact CG-SD 4.47Å; R386-M390 WeakPolarHBondContact O-CG 3.48Å; R386-M390 PolarHBondContact O-N 2.98Å; L387-M390 PolarHBondContact O-N 3.12Å; H388-M390 VanDerWaalsContact C-N 3.28Å; H388-M390 PolarHBondContact O-N 3.45Å; M390-K393 PolarHBondContact O-N 2.97Å; M390-A394 WeakPolarHBondContact O-CB 3.46Å; M390-A394 PolarHBondContact O-N 3.44Å |
| 391 | K | 84.4 | Confident | 75.8 | Confident | 136 Ų | 136 | 84.1 Ų | 84.1 | 59% | 0.591 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 174.5 | -171.1 | -178.7 | 179.9 | -174.1 | 0 | 111.4 | L387 H388 A394 N395 | L387-K391 PolarHBondContact O-N 3.45Å; H388-K391 PolarHBondContact O-N 3.43Å; H388-K391 VanDerWaalsContact O-N 3.13Å; K391-A394 PolarHBondContact O-N 3.2Å; K391-N395 PolarHBondContact O-N 3.33Å; K391-N395 PolarHBondContact O-OD1 3.22Å |
| 392 | I | 81 | Confident | 74.8 | Confident | 62 Ų | 62 | 85 Ų | 85 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 175.1 | -66.8 | 167.8 | 0 | 0 | 0 | 110.7 | H388 A394 N395 V396 | H388-I392 WeakPolarHBondContact O-CG1 3.39Å; H388-I392 PolarHBondContact O-N 2.96Å; I392-A394 VanDerWaalsContact C-N 3.32Å; I392-A394 PolarHBondContact O-N 3.06Å; I392-N395 PolarHBondContact O-N 3.11Å; I392-V396 WeakPolarHBondContact O-CG2 3.4Å; I392-V396 PolarHBondContact O-N 2.91Å |
| 393 | K | 76.6 | Confident | 73.2 | Confident | 99 Ų | 99 | 89.1 Ų | 89.1 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 176.9 | -76.8 | 175.8 | 175.6 | -178.7 | 0 | 112.1 | D312 K389 M390 V396 F397 | D312-K393 IonicContact OD2-NZ 2.62Å; D312-K393 PolarHBondContact OD2-NZ 3.33Å; K389-K393 WeakPolarHBondContact O-CB 3.33Å; K389-K393 VanDerWaalsContact O-CG 3.31Å; K389-K393 WeakPolarHBondContact O-CG 3.37Å; K389-K393 PolarHBondContact O-N 3.27Å; M390-K393 PolarHBondContact O-N 2.97Å; K393-V396 PolarHBondContact O-N 3.18Å; K393-F397 WeakPolarHBondContact O-CD2 3.43Å; K393-F397 PolarHBondContact O-N 3.41Å |
| 394 | A | 78.6 | Confident | 71.7 | Confident | 48 Ų | 48 | 90.1 Ų | 90.1 | 40% | 0.397 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M390 K391 I392 V396 F397 L398 | M390-A394 WeakPolarHBondContact O-CB 3.46Å; M390-A394 PolarHBondContact O-N 3.44Å; K391-A394 PolarHBondContact O-N 3.2Å; I392-A394 VanDerWaalsContact C-N 3.32Å; I392-A394 PolarHBondContact O-N 3.06Å; A394-V396 PolarHBondContact O-N 3.38Å; A394-F397 PolarHBondContact O-N 3.06Å; A394-L398 WeakPolarHBondContact O-CG 3.29Å; A394-L398 PolarHBondContact O-N 2.68Å |
| 395 | N | 78.4 | Confident | 70 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 43% | 0.433 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 175.9 | -70 | 3.9 | 0 | 0 | 0 | 111.3 | K391 I392 F397 L398 D399 | K391-N395 PolarHBondContact O-N 3.33Å; K391-N395 PolarHBondContact O-OD1 3.22Å; I392-N395 PolarHBondContact O-N 3.11Å; N395-F397 VanDerWaalsContact C-N 3.31Å; N395-F397 PolarHBondContact O-N 2.83Å; N395-L398 WeakPolarHBondContact O-CB 3.41Å; N395-L398 PolarHBondContact O-N 3.25Å; N395-D399 PolarHBondContact O-N 3.42Å |
| 396 | V | 75.4 | Confident | 68.1 | Low | 75 Ų | 75 | 95.5 Ų | 95.5 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | I392 K393 A394 L398 D399 M400 | I392-V396 WeakPolarHBondContact O-CG2 3.4Å; I392-V396 PolarHBondContact O-N 2.91Å; K393-V396 PolarHBondContact O-N 3.18Å; A394-V396 PolarHBondContact O-N 3.38Å; V396-L398 PolarHBondContact O-N 2.86Å; V396-D399 PolarHBondContact O-N 2.98Å; V396-M400 HydrophobicContact CG1-CG 4.43Å; V396-M400 HydrophobicContact CG1-SD 4.09Å; V396-M400 WeakPolarHBondContact O-CB 3.3Å; V396-M400 VanDerWaalsContact O-CG 3.22Å; V396-M400 WeakPolarHBondContact O-CG 3.37Å; V396-M400 PolarHBondContact O-N 3.49Å |
| 397 | F | 70 | Confident | 66.1 | Low | 117 Ų | 117 | 99.6 Ų | 99.6 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 174.3 | -78.2 | -59.6 | 0 | 0 | 0 | 113 | K393 A394 N395 G401 | K393-F397 WeakPolarHBondContact O-CD2 3.43Å; K393-F397 PolarHBondContact O-N 3.41Å; A394-F397 PolarHBondContact O-N 3.06Å; N395-F397 VanDerWaalsContact C-N 3.31Å; N395-F397 PolarHBondContact O-N 2.83Å; F397-G401 PolarHBondContact O-N 3.38Å |
| 398 | L | 72.8 | Confident | 64 | Low | 121 Ų | 121 | 100.4 Ų | 100.4 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -39.5 | 176.6 | -69 | 170.3 | 0 | 0 | 0 | 112.1 | A394 N395 V396 G401 R402 | A394-L398 WeakPolarHBondContact O-CG 3.29Å; A394-L398 PolarHBondContact O-N 2.68Å; N395-L398 WeakPolarHBondContact O-CB 3.41Å; N395-L398 PolarHBondContact O-N 3.25Å; V396-L398 PolarHBondContact O-N 2.86Å; L398-G401 CarbonylContact O-C 3.55Å; L398-G401 WeakPolarHBondContact O-CA 3.39Å; L398-G401 PolarHBondContact O-N 2.94Å; L398-R402 PolarHBondContact O-N 3.12Å |
| 399 | D | 66 | Low | 62 | Low | 83 Ų | 83 | 98.2 Ų | 98.2 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73 | -37 | 178.2 | -68 | -35.2 | 0 | 0 | 0 | 112.4 | N395 V396 G401 R402 N403 | N395-D399 PolarHBondContact O-N 3.42Å; V396-D399 PolarHBondContact O-N 2.98Å; D399-G401 PolarHBondContact O-N 3.34Å; D399-R402 PolarHBondContact O-N 3.21Å; D399-N403 WeakPolarHBondContact O-CB 3.39Å; D399-N403 PolarHBondContact O-N 3.26Å |
| 400 | M | 59.9 | Low | 59.8 | Low | 76 Ų | 76 | 102 Ų | 102 | 37% | 0.374 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62 | -34.4 | 166.9 | -69.4 | -178.9 | 105.1 | 0 | 0 | 111.7 | P284 V396 S404 | P284-M400 HydrophobicContact CG-CE 3.76Å; V396-M400 HydrophobicContact CG1-CG 4.43Å; V396-M400 HydrophobicContact CG1-SD 4.09Å; V396-M400 WeakPolarHBondContact O-CB 3.3Å; V396-M400 VanDerWaalsContact O-CG 3.22Å; V396-M400 WeakPolarHBondContact O-CG 3.37Å; V396-M400 PolarHBondContact O-N 3.49Å; M400-S404 PolarHBondContact O-N 3.39Å; M400-S404 PolarHBondContact O-OG 3.19Å |
| 401 | G | 57.4 | Low | 57.8 | Low | 27 Ų | 27 | 103 Ų | 103 | 28% | 0.278 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.1 | -57.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F397 L398 D399 N403 S404 Y405 | F397-G401 PolarHBondContact O-N 3.38Å; L398-G401 CarbonylContact O-C 3.55Å; L398-G401 WeakPolarHBondContact O-CA 3.39Å; L398-G401 PolarHBondContact O-N 2.94Å; D399-G401 PolarHBondContact O-N 3.34Å; G401-N403 PolarHBondContact O-N 3.4Å; G401-S404 VanDerWaalsContact O-CB 3.27Å; G401-S404 WeakPolarHBondContact O-CB 3.44Å; G401-S404 PolarHBondContact O-N 3.49Å; G401-Y405 WeakPolarHBondContact O-CD2 3.41Å; G401-Y405 VanDerWaalsContact O-CE2 3.32Å; G401-Y405 WeakPolarHBondContact O-CE2 3.46Å |
| 402 | R | 55.4 | Low | 55.3 | Low | 181 Ų | 181 | 100.9 Ų | 100.9 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -55.4 | -47.8 | 178.9 | -88.2 | 179.8 | 166.3 | 155.8 | -4.2 | 113 | L398 D399 S404 Y405 | L398-R402 PolarHBondContact O-N 3.12Å; D399-R402 PolarHBondContact O-N 3.21Å; R402-S404 PolarHBondContact O-N 3.4Å; R402-Y405 PolarHBondContact O-N 2.96Å |
| 403 | N | 44.7 | Very low | 53.2 | Low | 111 Ų | 111 | 103.7 Ų | 103.7 | 59% | 0.594 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.1 | -21.5 | 179.3 | -78.6 | -27.9 | 0 | 0 | 0 | 113.4 | D399 G401 Y405 | D399-N403 WeakPolarHBondContact O-CB 3.39Å; D399-N403 PolarHBondContact O-N 3.26Å; G401-N403 PolarHBondContact O-N 3.4Å; N403-Y405 PolarHBondContact O-N 2.85Å |
| 404 | S | 44.3 | Very low | 51.1 | Low | 69 Ų | 69 | 104.6 Ų | 104.6 | 48% | 0.483 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.8 | -18.5 | 173.7 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | M400 G401 R402 | M400-S404 PolarHBondContact O-N 3.39Å; M400-S404 PolarHBondContact O-OG 3.19Å; G401-S404 VanDerWaalsContact O-CB 3.27Å; G401-S404 WeakPolarHBondContact O-CB 3.44Å; G401-S404 PolarHBondContact O-N 3.49Å; R402-S404 PolarHBondContact O-N 3.4Å |
| 405 | Y | 44 | Very low | 49.2 | Very low | 193 Ų | 193 | 108.8 Ų | 108.8 | 76% | 0.757 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -99.9 | -13.5 | -179.4 | -60.5 | -73.9 | 0 | 0 | 0 | 114.2 | G401 R402 N403 | G401-Y405 WeakPolarHBondContact O-CD2 3.41Å; G401-Y405 VanDerWaalsContact O-CE2 3.32Å; G401-Y405 WeakPolarHBondContact O-CE2 3.46Å; R402-Y405 PolarHBondContact O-N 2.96Å; N403-Y405 PolarHBondContact O-N 2.85Å |
| 406 | L | 39.9 | Very low | 47.3 | Very low | 144 Ų | 144 | 111 Ų | 111 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -100.3 | -3.7 | -177 | -67.6 | 173.7 | 0 | 0 | 0 | 114.1 | ||
| 407 | S | 37.6 | Very low | 45.6 | Very low | 114 Ų | 114 | 110.3 Ų | 110.3 | 80% | 0.797 | 67% | 0.672 | S | S | * | * | trans | -103.6 | 38.8 | -177.5 | -140.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 408 | S | 36.2 | Very low | 44 | Very low | 113 Ų | 113 | 111.2 Ų | 111.2 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | trans | -110.9 | 55.6 | 174.6 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 409 | G | 39.5 | Very low | 42.3 | Very low | 69 Ų | 69 | 114.8 Ų | 114.8 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | -161.2 | 63.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 410 | S | 34.6 | Very low | 40.8 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | -155 | 139.8 | 166.1 | -79.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 411 | P | 37.7 | Very low | 39.9 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 149.4 | -175.5 | -17.9 | 32.2 | 0 | 0 | 0 | 113.2 | ||
| 412 | A | 31.7 | Very low | 38.9 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 135.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 413 | P | 36.3 | Very low | 37.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138 | 171.5 | 29 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 414 | S | 33.7 | Very low | 37.3 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 134.6 | -172.1 | -51.8 | 0 | 0 | 0 | 0 | 114.1 | P416 | S414-P416 WeakPolarHBondContact O-CD 3.48Š|
| 415 | T | 38.5 | Very low | 36.7 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 126.4 | 176.9 | 33.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 416 | P | 38.4 | Very low | 36.1 | Very low | 127 Ų | 127 | 142 Ų | 142 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.6 | 165.5 | -18.5 | 33.3 | 0 | 0 | 0 | 111.5 | S414 | S414-P416 WeakPolarHBondContact O-CD 3.48Š|
| 417 | G | 38 | Very low | 35.8 | Very low | 61 Ų | 61 | 143.6 Ų | 143.6 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 166.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q419 | G417-Q419 PolarHBondContact O-N 3.44Š|
| 418 | P | 36.9 | Very low | 35.4 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69 | 130.1 | -174.6 | -16.8 | 30.8 | 0 | 0 | 0 | 112.9 | ||
| 419 | Q | 37.8 | Very low | 35.1 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 142.3 | 176.6 | -68.3 | -158 | -14.6 | 0 | 0 | 113 | G417 | G417-Q419 PolarHBondContact O-N 3.44Š|
| 420 | R | 34.8 | Very low | 34.6 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 140.4 | -176.5 | -64.8 | 170.8 | 68.9 | -175.6 | 3.5 | 111.2 | K422 | R420-K422 PolarHBondContact O-N 3.39Š|
| 421 | K | 40.4 | Very low | 34.5 | Very low | 209 Ų | 209 | 147.6 Ų | 147.6 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 132.7 | 172.6 | -69.2 | 177.7 | 177 | 175.7 | 0 | 111.7 | ||
| 422 | K | 36.2 | Very low | 34.5 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -132.4 | 172.3 | 152.7 | -84.4 | -162.4 | 173.3 | -174.3 | 0 | 110.5 | R420 | R420-K422 PolarHBondContact O-N 3.39Š| ||
| 423 | Q | 33.2 | Very low | 34.5 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -93.7 | 163.1 | -145.9 | -71.8 | 151.2 | -65.1 | 0 | 0 | 115.8 | ||||
| 424 | K | 33.2 | Very low | 34.3 | Very low | 202 Ų | 202 | 151.6 Ų | 151.6 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -70.4 | 124.5 | 172.4 | -168.8 | -177.3 | -172.3 | -175.7 | 0 | 109.9 | ||||
| 425 | I | 33.1 | Very low | 34.2 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 80% | 0.795 | 81% | 0.811 | S | S | * | * | trans | -120 | 148 | 164.8 | -67.4 | 176.5 | 0 | 0 | 0 | 107.6 | ||||
| 426 | N | 30.3 | Very low | 33.8 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 64% | 0.642 | 81% | 0.812 | S | S | * | * | trans | -140.1 | 115.7 | -166 | 179.1 | 58 | 0 | 0 | 0 | 109.4 | ||||
| 427 | H | 33.8 | Very low | 33.4 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -137 | 152.7 | 172.6 | -85 | -75.4 | 0 | 0 | 0 | 111.4 | ||||
| 428 | Q | 30.1 | Very low | 33.3 | Very low | 149 Ų | 149 | 158.6 Ų | 158.6 | 70% | 0.696 | 82% | 0.818 | S | S | * | * | trans | -118.3 | 158.9 | -167.5 | -57.1 | 172.1 | -20.3 | 0 | 0 | 110.4 | ||||
| 429 | N | 29.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 160.3 Ų | 160.3 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 66.7 | 144.5 | 161.2 | -48.2 | -31.1 | 0 | 0 | 0 | 114.9 | ||||
| 430 | A | 28.9 | Very low | 32.5 | Very low | 102 Ų | 102 | 162.9 Ų | 162.9 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | cis | -141.8 | 173.3 | 24.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 431 | S | 31.3 | Very low | 32.4 | Very low | 91 Ų | 91 | 157.9 Ų | 157.9 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | trans | -107.6 | 160.3 | 167.8 | -177 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 432 | P | 38.9 | Very low | 31.8 | Very low | 127 Ų | 127 | 155.6 Ų | 155.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | -132.8 | 159.2 | 110.3 | 33.8 | -23.6 | 0 | 0 | 0 | 114.2 | |||||
| 433 | H | 32.1 | Very low | 31.5 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -78 | 148.9 | -179.4 | -79.3 | -74 | 0 | 0 | 0 | 113.9 | ||||
| 434 | S | 30.2 | Very low | 31.4 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -130.5 | 157.8 | 139.5 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 435 | K | 32.8 | Very low | 31.3 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -107.7 | 139.5 | -168.4 | -61.5 | 172.7 | -177.6 | 173.4 | 0 | 111.4 | ||||
| 436 | N | 29.9 | Very low | 31.1 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | 178.6 | 133.7 | 123.9 | -87.7 | -16.4 | 0 | 0 | 0 | 111.3 | |||||
| 437 | T | 30.5 | Very low | 31.2 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -110.7 | 159.1 | 164.1 | 52.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 438 | P | 34.7 | Very low | 31.1 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -132 | 169 | 94.7 | 17.9 | 2.2 | 0 | 0 | 0 | 113.9 | |||||
| 439 | H | 29.2 | Very low | 31.3 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 146.9 | -172.5 | -71.5 | -119.3 | 0 | 0 | 0 | 114.2 | ||||
| 440 | R | 29.3 | Very low | 31.4 | Very low | 251 Ų | 251 | 147.2 Ų | 147.2 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | trans | -135.9 | 135 | 138.7 | -154.6 | 172.6 | -171.8 | -174.3 | 2.4 | 109.9 | ||||
| 441 | I | 32 | Very low | 31.7 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -85.7 | 131.3 | -164.4 | -63.5 | 167.9 | 0 | 0 | 0 | 111.3 | N443 | I441-N443 WeakPolarHBondContact CG2-OD1 3.5Å; I441-N443 PolarHBondContact O-N 2.91Å | ||
| 442 | L | 28.6 | Very low | 32 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -90.2 | 88.8 | 174.1 | -173.5 | 74.2 | 0 | 0 | 0 | 110.5 | S444 | L442-S444 PolarHBondContact O-N 2.74Š| ||
| 443 | N | 29.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -69.6 | 102 | 176.8 | -87.6 | -1.9 | 0 | 0 | 0 | 111.4 | I441 | I441-N443 WeakPolarHBondContact CG2-OD1 3.5Å; I441-N443 PolarHBondContact O-N 2.91Å | ||
| 444 | S | 30.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 153.9 Ų | 153.9 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -94.2 | 98.1 | 175.2 | 42.2 | 0 | 0 | 0 | 0 | 110.8 | L442 R446 | L442-S444 PolarHBondContact O-N 2.74Å; S444-R446 PolarHBondContact O-N 3.35Å | ||
| 445 | Y | 30.7 | Very low | 31.5 | Very low | 219 Ų | 219 | 152.8 Ų | 152.8 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -69.1 | 109.9 | 175 | -94.2 | -89.6 | 0 | 0 | 0 | 111.4 | ||||
| 446 | R | 29.8 | Very low | 31.7 | Very low | 227 Ų | 227 | 150.5 Ų | 150.5 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 138.7 | 155.4 | -72.8 | -173 | 175.6 | -164 | 0.5 | 109.1 | S444 | S444-R446 PolarHBondContact O-N 3.35Š|
| 447 | P | 32.3 | Very low | 32 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 129.5 | 170.4 | 29.3 | -32.5 | 0 | 0 | 0 | 110.3 | ||
| 448 | S | 31.6 | Very low | 32.4 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 140.8 | 171.2 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | N450 | S448-N450 PolarHBondContact O-N 2.84Š|
| 449 | P | 35.1 | Very low | 32.6 | Very low | 106 Ų | 106 | 154.3 Ų | 154.3 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | trans | -79.7 | 105.7 | 174.1 | 31.1 | -31.9 | 0 | 0 | 0 | 110.8 | H451 | P449-H451 PolarHBondContact O-N 2.79Š| ||
| 450 | N | 32.3 | Very low | 32.8 | Very low | 152 Ų | 152 | 153.9 Ų | 153.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -73.3 | 91.9 | 176.8 | -71.7 | -6.5 | 0 | 0 | 0 | 111.4 | S448 | S448-N450 PolarHBondContact O-N 2.84Š| ||
| 451 | H | 34.9 | Very low | 33 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 124.8 | 156.9 | -77.6 | -87 | 0 | 0 | 0 | 109.3 | P449 | P449-H451 PolarHBondContact O-N 2.79Š|
| 452 | I | 37.8 | Very low | 33 | Very low | 143 Ų | 143 | 148 Ų | 148 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 120.8 | 172.2 | -62.2 | 172.9 | 0 | 0 | 0 | 107.8 | F454 | I452-F454 HydrophobicContact CG2-CD2 4.42Å; I452-F454 HydrophobicContact CG2-CE2 4.22Å |
| 453 | I | 30.8 | Very low | 33.3 | Very low | 144 Ų | 144 | 146 Ų | 146 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 125.5 | 167.8 | -59.7 | 175.8 | 0 | 0 | 0 | 106.4 | S455 | I453-S455 PolarHBondContact O-N 2.73Š|
| 454 | F | 29 | Very low | 33.6 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 80% | 0.803 | 79% | 0.786 | S | S | * | * | trans | -82.3 | 107.5 | 170.7 | -74 | -87.6 | 0 | 0 | 0 | 109.1 | I452 | I452-F454 HydrophobicContact CG2-CD2 4.42Å; I452-F454 HydrophobicContact CG2-CE2 4.22Å | ||
| 455 | S | 30.8 | Very low | 33.6 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -80.9 | 134.4 | 164.1 | -60.7 | 0 | 0 | 0 | 0 | 109.1 | I453 | I453-S455 PolarHBondContact O-N 2.73Š| ||
| 456 | V | 36.9 | Very low | 33.5 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -108.8 | 47 | -171.6 | -71.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 457 | D | 36.4 | Very low | 33.4 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -131.9 | -2.7 | -176.2 | -79.2 | -67.3 | 0 | 0 | 0 | 115.5 | F459 | D457-F459 VanDerWaalsContact C-N 3.29Å; D457-F459 PolarHBondContact O-N 2.85Å; D457-F459 VanDerWaalsContact O-N 3.11Å | ||
| 458 | D | 38.8 | Very low | 33.3 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -86.9 | 46.4 | -178.3 | -79.7 | -45.7 | 0 | 0 | 0 | 114.1 | ||||
| 459 | F | 38.3 | Very low | 33 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -139.3 | 90.4 | 170.7 | -80.7 | -73.5 | 0 | 0 | 0 | 112.3 | D457 | D457-F459 VanDerWaalsContact C-N 3.29Å; D457-F459 PolarHBondContact O-N 2.85Å; D457-F459 VanDerWaalsContact O-N 3.11Å | ||
| 460 | N | 33.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -148.4 | 106.5 | 164.2 | -90.5 | -68.2 | 0 | 0 | 0 | 110.9 | A462 | N460-A462 PolarHBondContact O-N 3.21Š| ||
| 461 | D | 32.7 | Very low | 32.8 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -73.6 | 119.2 | 177.4 | -90.2 | -51.3 | 0 | 0 | 0 | 112.3 | T463 | D461-T463 PolarHBondContact O-N 2.99Š| ||
| 462 | A | 32.5 | Very low | 32.8 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -86.4 | 97.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N460 | N460-A462 PolarHBondContact O-N 3.21Š| ||
| 463 | T | 34.8 | Very low | 32.5 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124.7 | 176.7 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | D461 | D461-T463 PolarHBondContact O-N 2.99Š|
| 464 | P | 35.8 | Very low | 32.5 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 124.4 | 177 | 31.3 | -32.6 | 0 | 0 | 0 | 111.8 | ||
| 465 | K | 30.2 | Very low | 32.3 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 155 | 172.6 | -71.7 | -179.1 | 179.8 | 173.6 | 0 | 111.9 | ||
| 466 | T | 28.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -91 | 154.2 | -171.5 | 50 | 0 | 0 | 0 | 0 | 114.2 | ||
| 467 | K | 29.3 | Very low | 31.7 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 81% | 0.809 | 81% | 0.811 | S | S | * | * | trans | 177.6 | 128.8 | 130.1 | -98.9 | 163.7 | -172.8 | -176.4 | 0 | 114.6 | ||||
| 468 | T | 28.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | 33.7 | 144.7 | 139 | 57.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 469 | A | 26.7 | Very low | 30.9 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | cis | -169.4 | 155.5 | -9.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 470 | K | 28.1 | Very low | 31.1 | Very low | 210 Ų | 210 | 137.7 Ų | 137.7 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | -174.2 | 164.9 | 90.7 | -90.5 | -179.9 | 178.5 | 177.8 | 0 | 110.9 | |||||
| 471 | Q | 33.7 | Very low | 30.8 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -116 | 158.1 | 177.9 | -99.4 | -80.8 | -29.5 | 0 | 0 | 109.8 | ||||
| 472 | P | 36.1 | Very low | 30.6 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | -154.1 | 133.8 | 94.1 | 36.6 | -16.8 | 0 | 0 | 0 | 118.4 | |||||
| 473 | K | 31.8 | Very low | 30.4 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 60.9 | 150.8 | 135 | -57.6 | 178.5 | -179.5 | -177.6 | 0 | 118.4 | ||||
| 474 | S | 29.7 | Very low | 30.1 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | cis | -145.5 | 150.6 | -2.2 | 41.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 475 | G | 26.2 | Very low | 29.7 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | 91.2 | 116.9 | 59.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 476 | G | 27.7 | Very low | 29.6 | Very low | 69 Ų | 69 | 143.4 Ų | 143.4 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | cis | -177.6 | -156.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 477 | S | 27.6 | Very low | 29.6 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 50.2 | 100.6 | 163.9 | 58.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 478 | A | 28.4 | Very low | 29.5 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | 176.3 | 154.6 | 111.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 479 | K | 28.4 | Very low | 29.5 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -145.9 | 176.3 | 167.1 | -70.3 | -170.7 | 177.3 | -175.8 | 0 | 107.1 | ||||
| 480 | P | 43.7 | Very low | 29.7 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | -130.5 | 175.3 | -60.6 | 39.7 | -25.6 | 0 | 0 | 0 | 111 | |||||
| 481 | S | 26.5 | Very low | 29.8 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | 179.4 | 128.9 | 140.9 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 482 | D | 28.4 | Very low | 29.6 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | 42.3 | 128.8 | 130.4 | -45.8 | -27 | 0 | 0 | 0 | 121.5 | ||||
| 483 | H | 27.8 | Very low | 29.6 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 89% | 0.889 | 83% | 0.827 | S | S | * | * | trans | -132.8 | 114.7 | 162.8 | -121.6 | -60.4 | 0 | 0 | 0 | 110.3 | ||||
| 484 | V | 29.4 | Very low | 29.6 | Very low | 124 Ų | 124 | 140 Ų | 140 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -133.6 | 136.5 | 172.7 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 485 | F | 27.3 | Very low | 29.8 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -19.7 | 137.4 | 174.8 | -62.4 | -103.7 | 0 | 0 | 0 | 118.4 | ||||
| 486 | R | 28 | Very low | 30.1 | Very low | 225 Ų | 225 | 145.7 Ų | 145.7 | 85% | 0.849 | 83% | 0.828 | S | S | * | * | -179.5 | 143.9 | 96.3 | -102.7 | -165.2 | 170.1 | -179.1 | -3.2 | 116.9 | |||||
| 487 | T | 29.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | 35.3 | 133.6 | 143.1 | 60.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 488 | G | 27 | Very low | 30.5 | Very low | 84 Ų | 84 | 147.7 Ų | 147.7 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | 120.2 | 148.3 | 122.7 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 489 | G | 27.1 | Very low | 30.8 | Very low | 84 Ų | 84 | 152.7 Ų | 152.7 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | 129 | 115.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 490 | E | 31.1 | Very low | 31.1 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -97.1 | 157.6 | 171.7 | -59.6 | 161.2 | 96.9 | 0 | 0 | 111.4 | ||||
| 491 | Q | 31.2 | Very low | 30.7 | Very low | 204 Ų | 204 | 156.3 Ų | 156.3 | 95% | 0.953 | 84% | 0.838 | S | S | * | * | trans | -163.8 | 157.4 | 132.5 | -111.8 | 166.5 | 49.4 | 0 | 0 | 113.5 | ||||
| 492 | S | 29.6 | Very low | 31.2 | Very low | 98 Ų | 98 | 160.2 Ų | 160.2 | 69% | 0.685 | 85% | 0.846 | S | S | * | * | trans | -105.5 | 153.6 | -174.3 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 493 | Q | 34.7 | Very low | 31.4 | Very low | 196 Ų | 196 | 159.4 Ų | 159.4 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | trans | -146.9 | 147.2 | 142 | -75.7 | -150.8 | -16.6 | 0 | 0 | 112.7 | ||||
| 494 | D | 31.4 | Very low | 31.6 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 83% | 0.829 | 84% | 0.843 | S | S | * | * | trans | -86.9 | 151 | -179.3 | -76.9 | -80.8 | 0 | 0 | 0 | 114.7 | ||||
| 495 | S | 34 | Very low | 32.2 | Very low | 116 Ų | 116 | 158.4 Ų | 158.4 | 81% | 0.811 | 85% | 0.852 | S | S | * | * | trans | -163.1 | 112 | 135.4 | 61.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 496 | K | 33.4 | Very low | 32.9 | Very low | 203 Ų | 203 | 159.1 Ų | 159.1 | 88% | 0.883 | 86% | 0.855 | S | S | * | * | trans | 3.9 | 120.2 | 146.4 | -65.8 | 160.9 | -174 | 168.9 | 0 | 117.2 | ||||
| 497 | S | 30.3 | Very low | 33.7 | Very low | 109 Ų | 109 | 158.2 Ų | 158.2 | 76% | 0.762 | 86% | 0.857 | S | S | * | * | 88 | 124.1 | 66.3 | -176.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 498 | S | 32.6 | Very low | 34.5 | Very low | 127 Ų | 127 | 162.9 Ų | 162.9 | 89% | 0.888 | 86% | 0.86 | S | S | * | * | trans | -162.2 | 121.5 | 155.9 | -87.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 499 | K | 35.4 | Very low | 35.4 | Very low | 207 Ų | 207 | 168.1 Ų | 168.1 | 90% | 0.9 | 86% | 0.862 | S | S | * | * | trans | -126.7 | 104.5 | -174.3 | -167.6 | 172.3 | -172.5 | 171.2 | 0 | 110.5 | ||||
| 500 | K | 35.7 | Very low | 36.4 | Very low | 201 Ų | 201 | 177.3 Ų | 177.3 | 87% | 0.874 | 88% | 0.878 | S | S | * | * | trans | -91.8 | 104.1 | -169.8 | -162.7 | 172.3 | -172.1 | 174.5 | 0 | 112.1 | ||||
| 501 | K | 34.6 | Very low | 36.7 | Very low | 194 Ų | 194 | 176.7 Ų | 176.7 | 84% | 0.843 | 88% | 0.877 | S | S | * | * | trans | -71.7 | 145.4 | 166.5 | -84.9 | -176.9 | 172 | -179.8 | 0 | 110.6 | ||||
| 502 | Q | 35.7 | Very low | 37 | Very low | 180 Ų | 180 | 175.2 Ų | 175.2 | 84% | 0.841 | 87% | 0.873 | S | S | * | * | trans | -123.4 | 128.3 | 162.4 | -83.4 | -175.6 | -28.9 | 0 | 0 | 109.4 | ||||
| 503 | T | 32.7 | Very low | 37.4 | Very low | 137 Ų | 137 | 179.5 Ų | 179.5 | 84% | 0.84 | 88% | 0.884 | S | S | * | * | trans | -150.8 | 124.5 | 169.5 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 504 | G | 33.1 | Very low | 37.5 | Very low | 80 Ų | 80 | 178.5 Ų | 178.5 | 83% | 0.825 | 88% | 0.882 | S | S | * | * | trans | 83 | 113.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 505 | K | 41.5 | Very low | 37.9 | Very low | 215 Ų | 215 | 180 Ų | 180 | 94% | 0.935 | 89% | 0.885 | S | S | * | * | trans | -151.7 | 119.1 | 136.4 | -118.7 | 171.1 | -174.3 | 174.6 | 0 | 110.7 | ||||
| 506 | K | 41.5 | Very low | 38.2 | Very low | 208 Ų | 208 | 184.3 Ų | 184.3 | 90% | 0.904 | 89% | 0.89 | S | S | * | * | trans | -74.1 | 150.4 | 168.8 | -71.8 | 179 | 174.9 | 177.7 | 0 | 109.7 | ||||
| 507 | K | 45.5 | Very low | 38.5 | Very low | 205 Ų | 205 | 182.9 Ų | 182.9 | 89% | 0.891 | 89% | 0.891 | S | S | * | * | trans | -139.8 | 145.3 | 152.3 | -144.9 | 176.3 | -177.1 | -173.9 | 0 | 109.1 | ||||
| 508 | R | 46.9 | Very low | 39.1 | Very low | 228 Ų | 228 | 188.6 Ų | 188.6 | 86% | 0.86 | 90% | 0.901 | S | S | * | * | trans | -98.4 | 178.9 | 177.8 | -75.2 | 173 | 66.4 | -170.4 | 1.9 | 110.1 | ||||
| 509 | Q | 44.6 | Very low | 39.7 | Very low | 193 Ų | 193 | 193.8 Ų | 193.8 | 90% | 0.902 | 90% | 0.902 | S | S | * | * | trans | 87.2 | 141.5 | -177.3 | -56.3 | 171.5 | -19.2 | 0 | 0 | 112.7 | ||||
| 510 | K | 49.2 | Very low | 40.1 | Very low | 277 Ų | 277 | 192.5 Ų | 192.5 | 100% | 1.204 | 90% | 0.902 | S | S | * | * | cis | -117.1 | 0 | 6.6 | -160.5 | 173.6 | -176.5 | -178.7 | 0 | 112 |
Retrieved 510 of 510 residues in 167.4 ms
(Link to these results)