| 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 | 72.2 | Confident | 80 | Confident | 129 Ų | 129 | 96.5 Ų | 96.5 | 64% | 0.635 | 55% | 0.553 | S | S | * | * | 0 | 118.5 | 0 | 179.8 | -179.1 | -177.7 | 0 | 0 | 107.3 | F13 Y14 Y15 D16 | M1-F13 HydrophobicContact CE-CB 4.21Å; M1-F13 HydrophobicContact CE-CD1 3.22Å; M1-F13 HydrophobicContact CE-CE1 3.81Å; M1-F13 HydrophobicContact CE-CG 4.01Å; M1-Y14 CarbonylContact C-O 3.55Å; M1-Y14 WeakPolarHBondContact CA-O 3.24Å; M1-Y15 HydrophobicContact CB-CD1 4.49Å; M1-Y15 HydrophobicContact CE-CE1 4.16Å; M1-Y15 WeakPolarHBondContact CE-OH 3.47Å; M1-Y15 HydrophobicContact CG-CD1 4.35Å; M1-Y15 HydrophobicContact CG-CE1 4.05Å; M1-Y15 HydrophobicContact SD-CE1 3.8Å; M1-D16 PolarHBondContact N-OD2 3.49Å | |||
| 2 | T | 79.4 | Confident | 79.8 | Confident | 84 Ų | 84 | 91.3 Ų | 91.3 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.7 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 107.4 | Y14 | T2-Y14 PolarHBondContact N-O 3.24Å; T2-Y14 PolarHBondContact O-N 3.39Å |
| 3 | S | 77.7 | Confident | 79.6 | Confident | 73 Ų | 73 | 89.2 Ų | 89.2 | 51% | 0.51 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.3 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | S12 | S3-S12 CarbonylContact C-O 3.58Å; S3-S12 VanDerWaalsContact CA-O 3.3Å; S3-S12 WeakPolarHBondContact CA-O 3.31Å |
| 4 | L | 79.1 | Confident | 79.3 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.9 | 172.4 | 178.8 | 64.5 | 0 | 0 | 0 | 108.9 | V11 S12 Y14 | L4-V11 CarbonylContact O-C 3.6Å; L4-V11 WeakPolarHBondContact O-CA 3.24Å; L4-S12 PolarHBondContact N-O 2.88Å; L4-S12 PolarHBondContact O-N 3.27Å; L4-Y14 HydrophobicContact CB-CE2 4.03Å |
| 5 | I | 81.1 | Confident | 78.9 | Confident | 124 Ų | 124 | 89.6 Ų | 89.6 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.9 | 172.9 | -55.1 | 175.8 | 0 | 0 | 0 | 107.5 | V11 | I5-V11 HydrophobicContact CG1-CG1 4.38Å; I5-V11 HydrophobicContact CG1-CG2 4.3Å |
| 6 | H | 79.6 | Confident | 78.6 | Confident | 59 Ų | 59 | 90.3 Ų | 90.3 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | trans | -81.8 | 152.3 | 179.4 | -63.9 | -93.2 | 0 | 0 | 0 | 110.4 | N8 G9 K10 S12 | H6-N8 WeakPolarHBondContact CB-OD1 3.21Å; H6-N8 PolarHBondContact O-N 2.94Å; H6-G9 PolarHBondContact O-N 3.42Å; H6-K10 HydrophobicContact CB-CB 4.16Å; H6-K10 PolarHBondContact CD2-O 3.46Å; H6-K10 PolarHBondContact N-O 2.84Å; H6-S12 PolarHBondContact NE2-OG 2.75Å | ||
| 7 | P | 86.4 | Confident | 78.1 | Confident | 145 Ų | 145 | 94.4 Ų | 94.4 | 94% | 0.942 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.7 | 178.2 | -26.4 | 34.8 | 0 | 0 | 0 | 114.8 | G9 | P7-G9 VanDerWaalsContact C-N 3.26Å; P7-G9 PolarHBondContact O-N 3.33Å |
| 8 | N | 87.2 | Confident | 77.6 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 57% | 0.572 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 10.1 | 175.9 | 65.4 | 6.1 | 0 | 0 | 0 | 113.8 | H6 K10 | H6-N8 WeakPolarHBondContact CB-OD1 3.21Å; H6-N8 PolarHBondContact O-N 2.94Å; N8-K10 VanDerWaalsContact C-N 3.27Å; N8-K10 PolarHBondContact O-N 3.45Å; N8-K10 VanDerWaalsContact OD1-CB 3.3Å; N8-K10 WeakPolarHBondContact OD1-CB 3.42Å; N8-K10 VanDerWaalsContact OD1-CG 3.31Å; N8-K10 WeakPolarHBondContact OD1-CG 2.99Å; N8-K10 PolarHBondContact OD1-N 3.11Å; N8-K10 VanDerWaalsContact OD1-N 3.08Å |
| 9 | G | 79.7 | Confident | 76.9 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 80 | -0.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | H6 P7 | H6-G9 PolarHBondContact O-N 3.42Å; P7-G9 VanDerWaalsContact C-N 3.26Å; P7-G9 PolarHBondContact O-N 3.33Å |
| 10 | K | 82.6 | Confident | 76.4 | Confident | 139 Ų | 139 | 93.4 Ų | 93.4 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | trans | -67.3 | 142.2 | 171.7 | -67.4 | -178.2 | -179.7 | -177.1 | 0 | 109.8 | H6 N8 | H6-K10 HydrophobicContact CB-CB 4.16Å; H6-K10 PolarHBondContact CD2-O 3.46Å; H6-K10 PolarHBondContact N-O 2.84Å; N8-K10 VanDerWaalsContact C-N 3.27Å; N8-K10 PolarHBondContact O-N 3.45Å; N8-K10 VanDerWaalsContact OD1-CB 3.3Å; N8-K10 WeakPolarHBondContact OD1-CB 3.42Å; N8-K10 VanDerWaalsContact OD1-CG 3.31Å; N8-K10 WeakPolarHBondContact OD1-CG 2.99Å; N8-K10 PolarHBondContact OD1-N 3.11Å; N8-K10 VanDerWaalsContact OD1-N 3.08Å | ||
| 11 | V | 75.1 | Confident | 75.8 | Confident | 64 Ų | 64 | 97.2 Ų | 97.2 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.4 | 174.4 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | L4 I5 F13 | L4-V11 CarbonylContact O-C 3.6Å; L4-V11 WeakPolarHBondContact O-CA 3.24Å; I5-V11 HydrophobicContact CG1-CG1 4.38Å; I5-V11 HydrophobicContact CG1-CG2 4.3Å; V11-F13 HydrophobicContact CB-CE2 4.34Å; V11-F13 HydrophobicContact CB-CZ 4.34Å; V11-F13 HydrophobicContact CG1-CD1 4.44Å; V11-F13 HydrophobicContact CG1-CD2 4.49Å; V11-F13 HydrophobicContact CG1-CE1 3.83Å; V11-F13 HydrophobicContact CG1-CE2 3.84Å; V11-F13 HydrophobicContact CG1-CZ 3.49Å; V11-F13 VanDerWaalsContact CG1-CZ 3.49Å |
| 12 | S | 78 | Confident | 75.3 | Confident | 34 Ų | 34 | 92.5 Ų | 92.5 | 24% | 0.238 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.5 | 174.4 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | S3 L4 H6 | S3-S12 CarbonylContact C-O 3.58Å; S3-S12 VanDerWaalsContact CA-O 3.3Å; S3-S12 WeakPolarHBondContact CA-O 3.31Å; L4-S12 PolarHBondContact N-O 2.88Å; L4-S12 PolarHBondContact O-N 3.27Å; H6-S12 PolarHBondContact NE2-OG 2.75Å |
| 13 | F | 76.2 | Confident | 74.4 | Confident | 64 Ų | 64 | 94.3 Ų | 94.3 | 28% | 0.281 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125 | 176.8 | -59.8 | -75.2 | 0 | 0 | 0 | 109.2 | M1 V11 Y15 I35 | M1-F13 HydrophobicContact CE-CB 4.21Å; M1-F13 HydrophobicContact CE-CD1 3.22Å; M1-F13 HydrophobicContact CE-CE1 3.81Å; M1-F13 HydrophobicContact CE-CG 4.01Å; V11-F13 HydrophobicContact CB-CE2 4.34Å; V11-F13 HydrophobicContact CB-CZ 4.34Å; V11-F13 HydrophobicContact CG1-CD1 4.44Å; V11-F13 HydrophobicContact CG1-CD2 4.49Å; V11-F13 HydrophobicContact CG1-CE1 3.83Å; V11-F13 HydrophobicContact CG1-CE2 3.84Å; V11-F13 HydrophobicContact CG1-CZ 3.49Å; V11-F13 VanDerWaalsContact CG1-CZ 3.49Å; F13-Y15 HydrophobicContact CB-CE2 3.7Å; F13-I35 HydrophobicContact CE2-CD1 3.9Å; F13-I35 HydrophobicContact CZ-CD1 3.68Å; F13-I35 HydrophobicContact CZ-CG1 4.1Å |
| 14 | Y | 76.4 | Confident | 73.6 | Confident | 117 Ų | 117 | 98.5 Ų | 98.5 | 46% | 0.459 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.7 | 178.2 | -58.2 | -89.6 | 0 | 0 | 0 | 108.5 | M1 T2 L4 | M1-Y14 CarbonylContact C-O 3.55Å; M1-Y14 WeakPolarHBondContact CA-O 3.24Å; T2-Y14 PolarHBondContact N-O 3.24Å; T2-Y14 PolarHBondContact O-N 3.39Å; L4-Y14 HydrophobicContact CB-CE2 4.03Å |
| 15 | Y | 72.3 | Confident | 72.7 | Confident | 67 Ų | 67 | 99.2 Ų | 99.2 | 26% | 0.263 | 53% | 0.532 | S | S | . | . | trans | -109.1 | 115.6 | 178.3 | -64.7 | -89.4 | 0 | 0 | 0 | 108.5 | M1 F13 I31 | M1-Y15 HydrophobicContact CB-CD1 4.49Å; M1-Y15 HydrophobicContact CE-CE1 4.16Å; M1-Y15 WeakPolarHBondContact CE-OH 3.47Å; M1-Y15 HydrophobicContact CG-CD1 4.35Å; M1-Y15 HydrophobicContact CG-CE1 4.05Å; M1-Y15 HydrophobicContact SD-CE1 3.8Å; F13-Y15 HydrophobicContact CB-CE2 3.7Å; Y15-I31 HydrophobicContact CD1-CD1 4.26Å; Y15-I31 HydrophobicContact CD1-CG2 4.27Å; Y15-I31 HydrophobicContact CD2-CD1 3.83Å; Y15-I31 HydrophobicContact CE1-CD1 4.4Å; Y15-I31 HydrophobicContact CE1-CG2 3.46Å; Y15-I31 VanDerWaalsContact CE1-CG2 3.46Å; Y15-I31 HydrophobicContact CE2-CD1 3.98Å; Y15-I31 HydrophobicContact CE2-CG2 3.84Å; Y15-I31 HydrophobicContact CG-CD1 3.99Å; Y15-I31 WeakPolarHBondContact OH-CG2 3.33Å | ||
| 16 | D | 74.1 | Confident | 71.5 | Confident | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -82 | 155 | 171.6 | -46.1 | -64.4 | 0 | 0 | 0 | 109.4 | M1 I18 | M1-D16 PolarHBondContact N-OD2 3.49Å; D16-I18 VanDerWaalsContact C-N 3.29Å; D16-I18 PolarHBondContact O-N 3.49Å |
| 17 | N | 70.5 | Confident | 70.5 | Confident | 160 Ų | 160 | 100.8 Ų | 100.8 | 86% | 0.856 | 53% | 0.532 | S | S | * | . | trans | 58.5 | 35.9 | 174.8 | -50.3 | -46.4 | 0 | 0 | 0 | 114.2 | P19 | N17-P19 VanDerWaalsContact O-CD 3.28Å; N17-P19 WeakPolarHBondContact O-CD 3.11Å | ||
| 18 | I | 68.9 | Low | 69.2 | Low | 53 Ų | 53 | 100.3 Ų | 100.3 | 27% | 0.272 | 52% | 0.517 | S | S | . | . | trans | -59.7 | 120.1 | 165.4 | -59.8 | -180 | 0 | 0 | 0 | 107.1 | D16 T20 Y50 I74 | D16-I18 VanDerWaalsContact C-N 3.29Å; D16-I18 PolarHBondContact O-N 3.49Å; I18-T20 PolarHBondContact O-N 3.09Å; I18-T20 VanDerWaalsContact O-N 3.14Å; I18-Y50 HydrophobicContact CG2-CE1 3.72Å; I18-Y50 WeakPolarHBondContact CG2-OH 3.17Å; I18-I74 HydrophobicContact CD1-CD1 4.03Å | ||
| 19 | P | 64.3 | Low | 68 | Low | 80 Ų | 80 | 96.9 Ų | 96.9 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | trans | -57.6 | 121 | 176.3 | -21.7 | 32.7 | 0 | 0 | 0 | 109.7 | N17 Y50 | N17-P19 VanDerWaalsContact O-CD 3.28Å; N17-P19 WeakPolarHBondContact O-CD 3.11Å; P19-Y50 WeakPolarHBondContact O-CE1 3.31Å; P19-Y50 PolarHBondContact O-OH 3.43Å | ||
| 20 | T | 66.8 | Low | 67.4 | Low | 129 Ų | 129 | 98.4 Ų | 98.4 | 79% | 0.791 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -81.1 | -27.8 | 177.3 | 50 | 0 | 0 | 0 | 0 | 111.9 | I18 | I18-T20 PolarHBondContact O-N 3.09Å; I18-T20 VanDerWaalsContact O-N 3.14Å |
| 21 | E | 64.5 | Low | 66.7 | Low | 174 Ų | 174 | 93.3 Ų | 93.3 | 81% | 0.813 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -100.7 | 127.6 | 172.7 | -65.8 | -179.2 | -170.9 | 0 | 0 | 109 | ||
| 22 | I | 61.3 | Low | 66.4 | Low | 30 Ų | 30 | 97.5 Ų | 97.5 | 15% | 0.154 | 48% | 0.482 | C | S | . | . | trans | -129.2 | 135.5 | 179.5 | -45.5 | 160.8 | 0 | 0 | 0 | 106.4 | E24 R26 Y50 | I22-E24 PolarHBondContact O-N 3.06Å; I22-R26 HydrophobicContact CG2-CB 3.61Å; I22-R26 WeakPolarHBondContact CG2-O 3.27Å; I22-Y50 HydrophobicContact CD1-CD1 3.46Å; I22-Y50 VanDerWaalsContact CD1-CD1 3.46Å; I22-Y50 HydrophobicContact CD1-CD2 2.96Å; I22-Y50 HydrophobicContact CD1-CE1 3.66Å; I22-Y50 HydrophobicContact CD1-CE2 3.17Å; I22-Y50 HydrophobicContact CD1-CG 3.06Å; I22-Y50 VanDerWaalsContact CD1-CZ 3.49Å; I22-Y50 HydrophobicContact CG1-CD1 4.46Å; I22-Y50 HydrophobicContact CG1-CD2 4.35Å; I22-Y50 HydrophobicContact CG1-CE1 4.39Å; I22-Y50 HydrophobicContact CG1-CE2 4.26Å; I22-Y50 HydrophobicContact CG1-CG 4.39Å | ||
| 23 | E | 61.6 | Low | 66.1 | Low | 122 Ų | 122 | 96.8 Ų | 96.8 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | trans | -53.9 | 135.6 | 167 | -63.8 | 177.5 | 178.3 | 0 | 0 | 108.6 | S25 R26 | E23-S25 VanDerWaalsContact CB-OG 3.27Å; E23-S25 WeakPolarHBondContact CB-OG 3.14Å; E23-S25 PolarHBondContact O-N 2.91Å; E23-S25 PolarHBondContact OE2-OG 3.17Å; E23-R26 PolarHBondContact O-N 3.24Å; E23-R26 IonicContact OE2-NE 3.81Å | ||
| 24 | E | 60.4 | Low | 65.9 | Low | 162 Ų | 162 | 99.6 Ų | 99.6 | 76% | 0.757 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -55 | -18.6 | 175.9 | -71.5 | -174 | 159.3 | 0 | 0 | 112.9 | I22 R26 L27 | I22-E24 PolarHBondContact O-N 3.06Å; E24-R26 VanDerWaalsContact C-N 3.3Å; E24-L27 VanDerWaalsContact O-CD1 3.31Å; E24-L27 WeakPolarHBondContact O-CD1 3.42Å; E24-L27 VanDerWaalsContact O-CG 3.24Å; E24-L27 WeakPolarHBondContact O-CG 2.99Å |
| 25 | S | 59.7 | Low | 65.9 | Low | 95 Ų | 95 | 96.4 Ų | 96.4 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -71.2 | -19.6 | 172.7 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | E23 | E23-S25 VanDerWaalsContact CB-OG 3.27Å; E23-S25 WeakPolarHBondContact CB-OG 3.14Å; E23-S25 PolarHBondContact O-N 2.91Å; E23-S25 PolarHBondContact OE2-OG 3.17Å |
| 26 | R | 57.1 | Low | 66.1 | Low | 163 Ų | 163 | 102 Ų | 102 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -119.6 | 32.6 | -172.4 | -65.3 | -177 | -177.8 | 179.4 | 3.2 | 112.9 | I22 E23 E24 Q28 | I22-R26 HydrophobicContact CG2-CB 3.61Å; I22-R26 WeakPolarHBondContact CG2-O 3.27Å; E23-R26 PolarHBondContact O-N 3.24Å; E23-R26 IonicContact OE2-NE 3.81Å; E24-R26 VanDerWaalsContact C-N 3.3Å; R26-Q28 CarbonylContact O-C 3.52Å; R26-Q28 PolarHBondContact O-N 2.78Å |
| 27 | L | 58.7 | Low | 66.1 | Low | 54 Ų | 54 | 100.6 Ų | 100.6 | 28% | 0.283 | 51% | 0.506 | S | S | . | . | trans | -56 | -10.7 | -178.5 | -71.1 | 166 | 0 | 0 | 0 | 115.6 | E24 Y57 | E24-L27 VanDerWaalsContact O-CD1 3.31Å; E24-L27 WeakPolarHBondContact O-CD1 3.42Å; E24-L27 VanDerWaalsContact O-CG 3.24Å; E24-L27 WeakPolarHBondContact O-CG 2.99Å; L27-Y57 VanDerWaalsContact CD1-OH 3.24Å; L27-Y57 WeakPolarHBondContact CD1-OH 3.3Å | ||
| 28 | Q | 58.4 | Low | 66.7 | Low | 134 Ų | 134 | 101 Ų | 101 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.7 | 172.2 | -64.4 | -178.7 | -10 | 0 | 0 | 108.4 | R26 | R26-Q28 CarbonylContact O-C 3.52Å; R26-Q28 PolarHBondContact O-N 2.78Å |
| 29 | S | 60.8 | Low | 67.6 | Low | 36 Ų | 36 | 105.9 Ų | 105.9 | 25% | 0.252 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.3 | 160 | -61.6 | 0 | 0 | 0 | 0 | 108.7 | V48 Y50 | S29-V48 PolarHBondContact N-O 2.87Å; S29-V48 PolarHBondContact O-N 3.34Å; S29-Y50 WeakPolarHBondContact OG-CE2 3.3Å |
| 30 | E | 68.1 | Low | 68.4 | Low | 88 Ų | 88 | 104 Ų | 104 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.7 | 175.3 | -70.3 | 176 | 160.5 | 0 | 0 | 108.3 | Y32 I45 L47 | E30-Y32 HydrophobicContact CB-CD2 4.05Å; E30-Y32 HydrophobicContact CB-CE2 3.46Å; E30-Y32 VanDerWaalsContact CB-CE2 3.46Å; E30-Y32 HydrophobicContact CG-CE2 4.45Å; E30-Y32 WeakPolarHBondContact OE2-CE2 3.22Å; E30-Y32 PolarHBondContact OE2-OH 3.48Å; E30-I45 HydrophobicContact CB-CG2 4.42Å; E30-I45 HydrophobicContact CG-CG2 4.47Å; E30-L47 HydrophobicContact CG-CD2 3.72Å |
| 31 | I | 68.7 | Low | 68.9 | Low | 32 Ų | 32 | 103 Ų | 103 | 16% | 0.164 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112.7 | 169.3 | -63.2 | 179.3 | 0 | 0 | 0 | 107.1 | Y15 F46 V48 | Y15-I31 HydrophobicContact CD1-CD1 4.26Å; Y15-I31 HydrophobicContact CD1-CG2 4.27Å; Y15-I31 HydrophobicContact CD2-CD1 3.83Å; Y15-I31 HydrophobicContact CE1-CD1 4.4Å; Y15-I31 HydrophobicContact CE1-CG2 3.46Å; Y15-I31 VanDerWaalsContact CE1-CG2 3.46Å; Y15-I31 HydrophobicContact CE2-CD1 3.98Å; Y15-I31 HydrophobicContact CE2-CG2 3.84Å; Y15-I31 HydrophobicContact CG-CD1 3.99Å; Y15-I31 WeakPolarHBondContact OH-CG2 3.33Å; I31-F46 HydrophobicContact CB-CB 4.21Å; I31-F46 HydrophobicContact CG2-CD2 4.46Å; I31-F46 PolarHBondContact N-O 3.14Å; I31-F46 PolarHBondContact O-N 3.14Å; I31-V48 HydrophobicContact CD1-CG2 3.59Å; I31-V48 HydrophobicContact CG1-CG2 3.85Å |
| 32 | Y | 68.3 | Low | 69.4 | Low | 152 Ų | 152 | 99.9 Ų | 99.9 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 132.2 | 173.9 | -69.6 | -93.1 | 0 | 0 | 0 | 110.1 | E30 I45 | E30-Y32 HydrophobicContact CB-CD2 4.05Å; E30-Y32 HydrophobicContact CB-CE2 3.46Å; E30-Y32 VanDerWaalsContact CB-CE2 3.46Å; E30-Y32 HydrophobicContact CG-CE2 4.45Å; E30-Y32 WeakPolarHBondContact OE2-CE2 3.22Å; E30-Y32 PolarHBondContact OE2-OH 3.48Å; Y32-I45 HydrophobicContact CD1-CD1 4.13Å; Y32-I45 HydrophobicContact CD1-CG1 3.74Å; Y32-I45 HydrophobicContact CE1-CD1 3.56Å; Y32-I45 HydrophobicContact CE1-CG1 3.68Å; Y32-I45 HydrophobicContact CE1-CG2 4.27Å |
| 33 | G | 71.6 | Confident | 70.1 | Confident | 20 Ų | 20 | 104.5 Ų | 104.5 | 21% | 0.206 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | I44 | G33-I44 PolarHBondContact N-O 2.98Å; G33-I44 PolarHBondContact O-N 3.08Å; G33-I44 VanDerWaalsContact O-O 3.07Å |
| 34 | L | 72.5 | Confident | 70.6 | Confident | 122 Ų | 122 | 101.1 Ų | 101.1 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.1 | 168.9 | -64.8 | 176.4 | 0 | 0 | 0 | 107.9 | L41 N43 | L34-L41 HydrophobicContact CB-CD1 4.38Å; L34-N43 HydrophobicContact CD2-CB 4.4Å; L34-N43 WeakPolarHBondContact CD2-OD1 3.28Å |
| 35 | I | 75 | Confident | 71 | Confident | 51 Ų | 51 | 97.9 Ų | 97.9 | 26% | 0.262 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.5 | 169.8 | -59.4 | -168.9 | 0 | 0 | 0 | 107.7 | F13 F42 I44 | F13-I35 HydrophobicContact CE2-CD1 3.9Å; F13-I35 HydrophobicContact CZ-CD1 3.68Å; F13-I35 HydrophobicContact CZ-CG1 4.1Å; I35-F42 HydrophobicContact CB-CB 4.49Å; I35-F42 PolarHBondContact N-O 3.07Å; I35-F42 PolarHBondContact O-N 3.21Å; I35-I44 HydrophobicContact CB-CD1 4.24Å; I35-I44 HydrophobicContact CD1-CD1 3.3Å; I35-I44 HydrophobicContact CG1-CD1 3.63Å; I35-I44 HydrophobicContact CG1-CG1 4.46Å |
| 36 | R | 76.5 | Confident | 71.3 | Confident | 184 Ų | 184 | 96.1 Ų | 96.1 | 69% | 0.694 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.4 | 167.7 | -173.4 | 178.4 | 175.2 | 175.5 | 0.6 | 109 | E38 A40 L41 | R36-E38 PolarHBondContact NE-O 2.85Å; R36-A40 CarbonylContact C-O 3.59Å; R36-A40 WeakPolarHBondContact CA-O 3.14Å; R36-L41 HydrophobicContact CB-CD1 4.06Å |
| 37 | C | 75.3 | Confident | 71.4 | Confident | 71 Ų | 71 | 93.4 Ų | 93.4 | 48% | 0.48 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 112.5 | 170.1 | -169.5 | 0 | 0 | 0 | 0 | 107.7 | D39 A40 F42 | C37-D39 PolarHBondContact O-N 3.38Å; C37-D39 VanDerWaalsContact O-N 3.07Å; C37-A40 PolarHBondContact N-O 2.78Å; C37-A40 WeakPolarHBondContact O-CA 3.18Å; C37-A40 PolarHBondContact O-N 2.74Å; C37-F42 HydrophobicContact CB-CE2 4.07Å |
| 38 | E | 83.1 | Confident | 71.4 | Confident | 168 Ų | 168 | 91.9 Ų | 91.9 | 79% | 0.785 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | -114.6 | -176.1 | -57.9 | 176.8 | 170.5 | 0 | 0 | 111.2 | R36 | R36-E38 PolarHBondContact NE-O 2.85Š|
| 39 | D | 87.6 | Confident | 71.4 | Confident | 156 Ų | 156 | 89.1 Ų | 89.1 | 83% | 0.834 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 0.8 | -180 | -63.1 | -37.7 | 0 | 0 | 0 | 113.7 | C37 | C37-D39 PolarHBondContact O-N 3.38Å; C37-D39 VanDerWaalsContact O-N 3.07Å |
| 40 | A | 79.9 | Confident | 70.9 | Confident | 40 Ų | 40 | 89.9 Ų | 89.9 | 33% | 0.331 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R36 C37 F42 | R36-A40 CarbonylContact C-O 3.59Å; R36-A40 WeakPolarHBondContact CA-O 3.14Å; C37-A40 PolarHBondContact N-O 2.78Å; C37-A40 WeakPolarHBondContact O-CA 3.18Å; C37-A40 PolarHBondContact O-N 2.74Å; A40-F42 HydrophobicContact CB-CD2 4.41Å; A40-F42 HydrophobicContact CB-CE2 3.54Å; A40-F42 HydrophobicContact CB-CZ 3.75Å |
| 41 | L | 77.7 | Confident | 69.9 | Low | 109 Ų | 109 | 92.6 Ų | 92.6 | 57% | 0.571 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.3 | 173.4 | -172.9 | 71 | 0 | 0 | 0 | 109.7 | L34 R36 | L34-L41 HydrophobicContact CB-CD1 4.38Å; R36-L41 HydrophobicContact CB-CD1 4.06Å |
| 42 | F | 76.3 | Confident | 68.6 | Low | 109 Ų | 109 | 96 Ų | 96 | 48% | 0.478 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.4 | 179.2 | -58.8 | -85.4 | 0 | 0 | 0 | 110 | I35 C37 A40 | I35-F42 HydrophobicContact CB-CB 4.49Å; I35-F42 PolarHBondContact N-O 3.07Å; I35-F42 PolarHBondContact O-N 3.21Å; C37-F42 HydrophobicContact CB-CE2 4.07Å; A40-F42 HydrophobicContact CB-CD2 4.41Å; A40-F42 HydrophobicContact CB-CE2 3.54Å; A40-F42 HydrophobicContact CB-CZ 3.75Å |
| 43 | N | 75.5 | Confident | 67.1 | Low | 126 Ų | 126 | 96.9 Ų | 96.9 | 67% | 0.674 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 126.1 | 168.7 | -65.5 | -6.8 | 0 | 0 | 0 | 108.5 | L34 | L34-N43 HydrophobicContact CD2-CB 4.4Å; L34-N43 WeakPolarHBondContact CD2-OD1 3.28Å |
| 44 | I | 71.4 | Confident | 65.3 | Low | 51 Ų | 51 | 98.4 Ų | 98.4 | 26% | 0.262 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.6 | 177.7 | -51.6 | -176.5 | 0 | 0 | 0 | 108.6 | G33 I35 F46 | G33-I44 PolarHBondContact N-O 2.98Å; G33-I44 PolarHBondContact O-N 3.08Å; G33-I44 VanDerWaalsContact O-O 3.07Å; I35-I44 HydrophobicContact CB-CD1 4.24Å; I35-I44 HydrophobicContact CD1-CD1 3.3Å; I35-I44 HydrophobicContact CG1-CD1 3.63Å; I35-I44 HydrophobicContact CG1-CG1 4.46Å; I44-F46 HydrophobicContact CB-CE2 4.3Å; I44-F46 HydrophobicContact CG2-CD2 4.04Å; I44-F46 HydrophobicContact CG2-CE1 4.05Å; I44-F46 HydrophobicContact CG2-CE2 3.51Å; I44-F46 HydrophobicContact CG2-CZ 3.53Å |
| 45 | I | 68.3 | Low | 63.6 | Low | 95 Ų | 95 | 100.2 Ų | 100.2 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.7 | 174.7 | -56.9 | 175.6 | 0 | 0 | 0 | 106.5 | E30 Y32 | E30-I45 HydrophobicContact CB-CG2 4.42Å; E30-I45 HydrophobicContact CG-CG2 4.47Å; Y32-I45 HydrophobicContact CD1-CD1 4.13Å; Y32-I45 HydrophobicContact CD1-CG1 3.74Å; Y32-I45 HydrophobicContact CE1-CD1 3.56Å; Y32-I45 HydrophobicContact CE1-CG1 3.68Å; Y32-I45 HydrophobicContact CE1-CG2 4.27Å |
| 46 | F | 66 | Low | 61.9 | Low | 57 Ų | 57 | 102.8 Ų | 102.8 | 25% | 0.25 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.9 | 170.2 | -60.1 | -83.6 | 0 | 0 | 0 | 108.9 | I31 I44 V48 | I31-F46 HydrophobicContact CB-CB 4.21Å; I31-F46 HydrophobicContact CG2-CD2 4.46Å; I31-F46 PolarHBondContact N-O 3.14Å; I31-F46 PolarHBondContact O-N 3.14Å; I44-F46 HydrophobicContact CB-CE2 4.3Å; I44-F46 HydrophobicContact CG2-CD2 4.04Å; I44-F46 HydrophobicContact CG2-CE1 4.05Å; I44-F46 HydrophobicContact CG2-CE2 3.51Å; I44-F46 HydrophobicContact CG2-CZ 3.53Å; F46-V48 PolarHBondContact O-N 3.34Å |
| 47 | L | 60.6 | Low | 60.1 | Low | 106 Ų | 106 | 98.6 Ų | 98.6 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 112.6 | 170.4 | -72 | 164.2 | 0 | 0 | 0 | 108.7 | E30 | E30-L47 HydrophobicContact CG-CD2 3.72Å |
| 48 | V | 58.2 | Low | 58.2 | Low | 22 Ų | 22 | 102.3 Ų | 102.3 | 13% | 0.133 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 105.7 | 170.7 | -175.6 | 0 | 0 | 0 | 0 | 107.5 | S29 I31 F46 Y50 | S29-V48 PolarHBondContact N-O 2.87Å; S29-V48 PolarHBondContact O-N 3.34Å; I31-V48 HydrophobicContact CD1-CG2 3.59Å; I31-V48 HydrophobicContact CG1-CG2 3.85Å; F46-V48 PolarHBondContact O-N 3.34Å; V48-Y50 HydrophobicContact CB-CE2 4.38Å; V48-Y50 HydrophobicContact CG1-CD2 4.11Å; V48-Y50 HydrophobicContact CG1-CE2 3.78Å |
| 49 | Q | 57.5 | Low | 56.2 | Low | 77 Ų | 77 | 99.1 Ų | 99.1 | 36% | 0.36 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.3 | 167.8 | -77.5 | -167 | -21.6 | 0 | 0 | 109.9 | R51 F69 | Q49-R51 PolarHBondContact O-N 2.5Å; Q49-F69 HydrophobicContact CG-CE1 4.21Å; Q49-F69 VanDerWaalsContact OE1-CD1 3.22Å |
| 50 | Y | 50 | Low | 54 | Low | 51 Ų | 51 | 98.8 Ų | 98.8 | 20% | 0.2 | 49% | 0.492 | C | S | . | . | trans | -85.9 | 115.5 | 173.1 | -63.6 | -104.7 | 0 | 0 | 0 | 108.7 | I18 P19 I22 S29 V48 I52 | I18-Y50 HydrophobicContact CG2-CE1 3.72Å; I18-Y50 WeakPolarHBondContact CG2-OH 3.17Å; P19-Y50 WeakPolarHBondContact O-CE1 3.31Å; P19-Y50 PolarHBondContact O-OH 3.43Å; I22-Y50 HydrophobicContact CD1-CD1 3.46Å; I22-Y50 VanDerWaalsContact CD1-CD1 3.46Å; I22-Y50 HydrophobicContact CD1-CD2 2.96Å; I22-Y50 HydrophobicContact CD1-CE1 3.66Å; I22-Y50 HydrophobicContact CD1-CE2 3.17Å; I22-Y50 HydrophobicContact CD1-CG 3.06Å; I22-Y50 VanDerWaalsContact CD1-CZ 3.49Å; I22-Y50 HydrophobicContact CG1-CD1 4.46Å; I22-Y50 HydrophobicContact CG1-CD2 4.35Å; I22-Y50 HydrophobicContact CG1-CE1 4.39Å; I22-Y50 HydrophobicContact CG1-CE2 4.26Å; I22-Y50 HydrophobicContact CG1-CG 4.39Å; S29-Y50 WeakPolarHBondContact OG-CE2 3.3Å; V48-Y50 HydrophobicContact CB-CE2 4.38Å; V48-Y50 HydrophobicContact CG1-CD2 4.11Å; V48-Y50 HydrophobicContact CG1-CE2 3.78Å; Y50-I52 PolarHBondContact O-N 3.33Å | ||
| 51 | R | 48 | Very low | 52.1 | Low | 145 Ų | 145 | 101.7 Ų | 101.7 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | trans | -80.6 | 89.6 | 168.3 | -72.3 | -175.4 | -179.9 | -178.1 | 1.3 | 108.3 | Q49 F53 | Q49-R51 PolarHBondContact O-N 2.5Å; R51-F53 HydrophobicContact CB-CD2 4.41Å; R51-F53 HydrophobicContact CB-CE2 4.36Å; R51-F53 PolarHBondContact O-N 2.87Å | ||
| 52 | I | 41.5 | Very low | 49.9 | Very low | 103 Ų | 103 | 104.6 Ų | 104.6 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | trans | -68.7 | 104.1 | 158.6 | -59 | 176.2 | 0 | 0 | 0 | 105.3 | Y50 S54 | Y50-I52 PolarHBondContact O-N 3.33Å; I52-S54 PolarHBondContact O-N 2.86Å | ||
| 53 | F | 36.1 | Very low | 47.9 | Very low | 172 Ų | 172 | 108 Ų | 108 | 75% | 0.754 | 52% | 0.521 | S | S | * | . | trans | -66.7 | 73.6 | 172.9 | -84.6 | -88.8 | 0 | 0 | 0 | 109.6 | R51 | R51-F53 HydrophobicContact CB-CD2 4.41Å; R51-F53 HydrophobicContact CB-CE2 4.36Å; R51-F53 PolarHBondContact O-N 2.87Å | ||
| 54 | S | 34.7 | Very low | 45.9 | Very low | 51 Ų | 51 | 106 Ų | 106 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | trans | -102.7 | 114.5 | 158.7 | -175.3 | 0 | 0 | 0 | 0 | 107 | I52 T56 Y57 | I52-S54 PolarHBondContact O-N 2.86Å; S54-T56 PolarHBondContact O-N 2.83Å; S54-T56 PolarHBondContact OG-OG1 2.87Å; S54-Y57 WeakPolarHBondContact O-CB 3.41Å; S54-Y57 PolarHBondContact O-N 3.01Å | ||
| 55 | I | 37.3 | Very low | 44.1 | Very low | 161 Ų | 161 | 109.9 Ų | 109.9 | 83% | 0.826 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -48.4 | -27.1 | 178.3 | -71.8 | 161.6 | 0 | 0 | 0 | 111.6 | Y57 | I55-Y57 VanDerWaalsContact C-N 3.34Å; I55-Y57 PolarHBondContact O-N 2.93Å |
| 56 | T | 38.7 | Very low | 42.5 | Very low | 104 Ų | 104 | 109.8 Ų | 109.8 | 64% | 0.638 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -31.5 | 177.3 | -32.3 | 0 | 0 | 0 | 0 | 113.5 | S54 S59 | S54-T56 PolarHBondContact O-N 2.83Å; S54-T56 PolarHBondContact OG-OG1 2.87Å; T56-S59 PolarHBondContact O-N 3.08Å; T56-S59 PolarHBondContact O-OG 2.84Å |
| 57 | Y | 37.7 | Very low | 40.8 | Very low | 97 Ų | 97 | 110 Ų | 110 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75 | -33.2 | -171.9 | -145.4 | -89.7 | 0 | 0 | 0 | 113.3 | L27 S54 I55 S59 K60 Y61 | L27-Y57 VanDerWaalsContact CD1-OH 3.24Å; L27-Y57 WeakPolarHBondContact CD1-OH 3.3Å; S54-Y57 WeakPolarHBondContact O-CB 3.41Å; S54-Y57 PolarHBondContact O-N 3.01Å; I55-Y57 VanDerWaalsContact C-N 3.34Å; I55-Y57 PolarHBondContact O-N 2.93Å; Y57-S59 PolarHBondContact O-N 3.37Å; Y57-K60 PolarHBondContact O-N 3.33Å; Y57-K60 VanDerWaalsContact O-N 3.11Å; Y57-Y61 AromaticContact CD1-CD2 3.71Å; Y57-Y61 HydrophobicContact CD1-CD2 3.71Å; Y57-Y61 HydrophobicContact CD1-CE2 4.17Å; Y57-Y61 AromaticContact CE1-CD2 3.3Å; Y57-Y61 HydrophobicContact CE1-CD2 3.3Å; Y57-Y61 AromaticContact CE1-CE2 3.5Å; Y57-Y61 HydrophobicContact CE1-CE2 3.5Å; Y57-Y61 HydrophobicContact CE1-CG 4.33Å; Y57-Y61 HydrophobicContact CE2-CE2 4.17Å; Y57-Y61 AromaticContact CZ-CD2 3.85Å; Y57-Y61 AromaticContact CZ-CE2 3.5Å; Y57-Y61 VanDerWaalsContact CZ-CE2 3.5Å |
| 58 | F | 37 | Very low | 39.2 | Very low | 149 Ų | 149 | 111.1 Ų | 111.1 | 65% | 0.654 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.1 | -27.6 | 176.9 | -92.3 | -79.1 | 0 | 0 | 0 | 112.9 | K60 | F58-K60 VanDerWaalsContact C-N 3.29Å; F58-K60 PolarHBondContact O-N 2.89Å |
| 59 | S | 41.2 | Very low | 38.1 | Very low | 100 Ų | 100 | 113.3 Ų | 113.3 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -24.8 | 177 | 76.6 | 0 | 0 | 0 | 0 | 113.2 | T56 Y57 | T56-S59 PolarHBondContact O-N 3.08Å; T56-S59 PolarHBondContact O-OG 2.84Å; Y57-S59 PolarHBondContact O-N 3.37Å |
| 60 | K | 40.8 | Very low | 36.8 | Very low | 149 Ų | 149 | 116.4 Ų | 116.4 | 65% | 0.648 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -27.2 | -169.8 | -166.6 | 173.5 | 179.1 | -175.6 | 0 | 113.7 | Y57 F58 | Y57-K60 PolarHBondContact O-N 3.33Å; Y57-K60 VanDerWaalsContact O-N 3.11Å; F58-K60 VanDerWaalsContact C-N 3.29Å; F58-K60 PolarHBondContact O-N 2.89Å |
| 61 | Y | 39.3 | Very low | 36.1 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 40% | 0.4 | 61% | 0.605 | S | S | . | * | trans | -127.6 | 70.6 | -174.3 | -59.7 | -80 | 0 | 0 | 0 | 112.2 | Y57 F63 L64 | Y57-Y61 AromaticContact CD1-CD2 3.71Å; Y57-Y61 HydrophobicContact CD1-CD2 3.71Å; Y57-Y61 HydrophobicContact CD1-CE2 4.17Å; Y57-Y61 AromaticContact CE1-CD2 3.3Å; Y57-Y61 HydrophobicContact CE1-CD2 3.3Å; Y57-Y61 AromaticContact CE1-CE2 3.5Å; Y57-Y61 HydrophobicContact CE1-CE2 3.5Å; Y57-Y61 HydrophobicContact CE1-CG 4.33Å; Y57-Y61 HydrophobicContact CE2-CE2 4.17Å; Y57-Y61 AromaticContact CZ-CD2 3.85Å; Y57-Y61 AromaticContact CZ-CE2 3.5Å; Y57-Y61 VanDerWaalsContact CZ-CE2 3.5Å; Y61-F63 PolarHBondContact O-N 2.83Å; Y61-F63 VanDerWaalsContact O-N 3.09Å; Y61-L64 PolarHBondContact O-N 2.9Å | ||
| 62 | Q | 32.2 | Very low | 35.4 | Very low | 169 Ų | 169 | 115 Ų | 115 | 79% | 0.79 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -59.3 | -14 | 171.9 | -107.5 | 177.3 | -21.3 | 0 | 0 | 114.2 | L64 T65 | Q62-L64 PolarHBondContact O-N 3.49Å; Q62-T65 PolarHBondContact O-OG1 2.79Å |
| 63 | F | 33.9 | Very low | 34.8 | Very low | 181 Ų | 181 | 116.8 Ų | 116.8 | 79% | 0.794 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -81.8 | -8.1 | -175.2 | -124 | -87.5 | 0 | 0 | 0 | 114.8 | Y61 T65 | Y61-F63 PolarHBondContact O-N 2.83Å; Y61-F63 VanDerWaalsContact O-N 3.09Å; F63-T65 PolarHBondContact O-N 2.93Å |
| 64 | L | 33.5 | Very low | 34.6 | Very low | 85 Ų | 85 | 114 Ų | 114 | 45% | 0.445 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -79.1 | 7.8 | 179 | -71.5 | 167.9 | 0 | 0 | 0 | 113.6 | Y61 Q62 F69 | Y61-L64 PolarHBondContact O-N 2.9Å; Q62-L64 PolarHBondContact O-N 3.49Å; L64-F69 HydrophobicContact CB-CE2 4.45Å; L64-F69 HydrophobicContact CD2-CE2 4.15Å; L64-F69 HydrophobicContact CD2-CZ 3.74Å |
| 65 | T | 34.1 | Very low | 34.5 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 81% | 0.81 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -82 | -10.1 | 178.6 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | Q62 F63 | Q62-T65 PolarHBondContact O-OG1 2.79Å; F63-T65 PolarHBondContact O-N 2.93Å |
| 66 | S | 33.4 | Very low | 34.3 | Very low | 93 Ų | 93 | 125 Ų | 125 | 65% | 0.65 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -116.8 | -1.9 | -169 | 64.1 | 0 | 0 | 0 | 0 | 117.2 | ||
| 67 | S | 30.5 | Very low | 34.1 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 43% | 0.427 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -99.9 | 119.1 | 169.5 | 51.6 | 0 | 0 | 0 | 0 | 109.4 | F69 | S67-F69 VanDerWaalsContact C-N 3.28Å; S67-F69 WeakPolarHBondContact O-CD2 2.9Å; S67-F69 WeakPolarHBondContact O-CE2 3.49Å; S67-F69 PolarHBondContact O-N 3.47Å; S67-F69 WeakPolarHBondContact OG-CE2 3.38Å; S67-F69 WeakPolarHBondContact OG-CZ 3.4Å |
| 68 | S | 27.6 | Very low | 33.9 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 90% | 0.902 | 65% | 0.651 | S | S | * | * | trans | -56.2 | 86.8 | 175.4 | -47.4 | 0 | 0 | 0 | 0 | 110.6 | L70 | S68-L70 PolarHBondContact O-N 3.01Å; S68-L70 VanDerWaalsContact O-N 3.14Å | ||
| 69 | F | 35.7 | Very low | 33.7 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 30% | 0.298 | 65% | 0.651 | S | S | . | * | trans | -68.6 | 112.2 | 172.1 | -66.7 | -68.8 | 0 | 0 | 0 | 107.4 | Q49 L64 S67 T71 | Q49-F69 HydrophobicContact CG-CE1 4.21Å; Q49-F69 VanDerWaalsContact OE1-CD1 3.22Å; L64-F69 HydrophobicContact CB-CE2 4.45Å; L64-F69 HydrophobicContact CD2-CE2 4.15Å; L64-F69 HydrophobicContact CD2-CZ 3.74Å; S67-F69 VanDerWaalsContact C-N 3.28Å; S67-F69 WeakPolarHBondContact O-CD2 2.9Å; S67-F69 WeakPolarHBondContact O-CE2 3.49Å; S67-F69 PolarHBondContact O-N 3.47Å; S67-F69 WeakPolarHBondContact OG-CE2 3.38Å; S67-F69 WeakPolarHBondContact OG-CZ 3.4Å; F69-T71 PolarHBondContact O-N 2.9Å; F69-T71 PolarHBondContact O-OG1 2.84Å | ||
| 70 | L | 30.4 | Very low | 33.3 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 75% | 0.749 | 65% | 0.648 | S | S | * | * | trans | -60.7 | 93.3 | 156 | -173.6 | 74.8 | 0 | 0 | 0 | 105.6 | S68 I72 | S68-L70 PolarHBondContact O-N 3.01Å; S68-L70 VanDerWaalsContact O-N 3.14Å; L70-I72 PolarHBondContact O-N 2.87Å | ||
| 71 | T | 34.2 | Very low | 32.8 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 42% | 0.417 | 65% | 0.648 | S | S | . | * | trans | -74.3 | 97 | -177.9 | -55.5 | 0 | 0 | 0 | 0 | 106.1 | F69 N73 | F69-T71 PolarHBondContact O-N 2.9Å; F69-T71 PolarHBondContact O-OG1 2.84Å; T71-N73 VanDerWaalsContact C-N 3.32Å; T71-N73 PolarHBondContact O-N 3.07Å; T71-N73 VanDerWaalsContact O-N 3.07Å | ||
| 72 | I | 34.6 | Very low | 32.3 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 51% | 0.508 | 67% | 0.666 | S | S | . | * | trans | -73.9 | 97.4 | 166.6 | -58.5 | 175.9 | 0 | 0 | 0 | 105.2 | L70 I74 | L70-I72 PolarHBondContact O-N 2.87Å; I72-I74 HydrophobicContact CG2-CG1 4.27Å; I72-I74 PolarHBondContact O-N 2.99Å; I72-I74 VanDerWaalsContact O-N 3.08Å | ||
| 73 | N | 28.4 | Very low | 32.3 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | trans | -66.2 | 105.6 | 167 | -67.7 | -56.8 | 0 | 0 | 0 | 106.9 | T71 | T71-N73 VanDerWaalsContact C-N 3.32Å; T71-N73 PolarHBondContact O-N 3.07Å; T71-N73 VanDerWaalsContact O-N 3.07Å | ||
| 74 | I | 32.4 | Very low | 32.2 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 59% | 0.585 | 65% | 0.645 | S | S | * | * | trans | -81 | 113.3 | 164.1 | -53.7 | 174.2 | 0 | 0 | 0 | 104.7 | I18 I72 | I18-I74 HydrophobicContact CD1-CD1 4.03Å; I72-I74 HydrophobicContact CG2-CG1 4.27Å; I72-I74 PolarHBondContact O-N 2.99Å; I72-I74 VanDerWaalsContact O-N 3.08Å | ||
| 75 | W | 31.3 | Very low | 32 | Very low | 318 Ų | 318 | 124 Ų | 124 | 100% | 1.205 | 66% | 0.663 | S | S | * | * | trans | -90.6 | 0 | 175.4 | -149.6 | 56.8 | 0 | 0 | 0 | 109.7 |
Retrieved 75 of 75 residues in 97.5 ms
(Link to these results)