| 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 | 63.9 | Low | 89.5 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 58% | 0.576 | 39% | 0.39 | S | S | * | . | 0 | 165.8 | 0 | -67.6 | -177.6 | 178.4 | 0 | 0 | 109.1 | D422 A424 F491 T495 | M1-D422 WeakPolarHBondContact CA-OD1 3.47Å; M1-D422 HydrophobicContact CB-CB 4.44Å; M1-D422 VanDerWaalsContact CB-OD1 3.22Å; M1-D422 WeakPolarHBondContact CB-OD1 3.27Å; M1-D422 WeakPolarHBondContact CG-OD1 3.34Å; M1-D422 PolarHBondContact N-OD1 3.13Å; M1-D422 HydrophobicContact SD-CB 4.47Å; M1-A424 HydrophobicContact SD-CB 4.47Å; M1-F491 HydrophobicContact CE-CD2 4.43Å; M1-F491 HydrophobicContact CE-CE2 4.37Å; M1-F491 HydrophobicContact SD-CE2 4.31Å; M1-T495 HydrophobicContact CE-CG2 4.05Å; M1-T495 HydrophobicContact SD-CG2 4.45Å | |||
| 2 | V | 82.9 | Confident | 90 | Very high | 107 Ų | 107 | 73.6 Ų | 73.6 | 65% | 0.648 | 41% | 0.41 | S | S | * | . | trans | -97.8 | 124.3 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | L | 92.8 | Very high | 90.4 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 17% | 0.173 | 39% | 0.391 | C | S | . | . | trans | -78.4 | 131 | 173.5 | -65 | 176.4 | 0 | 0 | 0 | 110.8 | Y95 Y97 I420 A423 | L3-Y95 HydrophobicContact CD2-CE2 4.34Å; L3-Y97 HydrophobicContact CB-CD1 3.89Å; L3-Y97 HydrophobicContact CB-CE1 4.47Å; L3-Y97 HydrophobicContact CB-CG 4.04Å; L3-Y97 HydrophobicContact CD1-CD1 4.17Å; L3-Y97 HydrophobicContact CD1-CD2 4.18Å; L3-Y97 HydrophobicContact CD1-CE1 4.1Å; L3-Y97 HydrophobicContact CD1-CE2 4.1Å; L3-Y97 HydrophobicContact CD1-CG 4.2Å; L3-I420 HydrophobicContact CD1-CB 4.24Å; L3-I420 HydrophobicContact CD1-CG2 4.28Å; L3-I420 VanDerWaalsContact CD1-O 3.26Å; L3-I420 WeakPolarHBondContact CD1-O 3.29Å; L3-I420 HydrophobicContact CD2-CG2 4.16Å; L3-A423 HydrophobicContact CD2-CB 3.89Å | ||
| 4 | Y | 93.6 | Very high | 90.7 | Very high | 71 Ų | 71 | 67.2 Ų | 67.2 | 28% | 0.278 | 38% | 0.376 | S | S | . | . | trans | -91.5 | 109.3 | -172.6 | -60.1 | -53.5 | 0 | 0 | 0 | 112.9 | R93 P94 Y95 I96 Y97 | Y4-R93 HydrophobicContact CD1-CG 3.98Å; Y4-R93 HydrophobicContact CD2-CB 4.06Å; Y4-R93 HydrophobicContact CD2-CG 4.32Å; Y4-R93 HydrophobicContact CE1-CG 4.29Å; Y4-R93 HydrophobicContact CG-CB 4.02Å; Y4-R93 HydrophobicContact CG-CG 3.99Å; Y4-P94 HydrophobicContact CD2-CG 4.41Å; Y4-P94 HydrophobicContact CE2-CG 4.13Å; Y4-Y95 HydrophobicContact CD2-CD1 4.45Å; Y4-Y95 HydrophobicContact CD2-CD2 4.25Å; Y4-Y95 AromaticContact CD2-CE1 3.97Å; Y4-Y95 HydrophobicContact CD2-CE1 3.97Å; Y4-Y95 AromaticContact CD2-CE2 3.74Å; Y4-Y95 HydrophobicContact CD2-CE2 3.74Å; Y4-Y95 AromaticContact CD2-CZ 3.58Å; Y4-Y95 HydrophobicContact CE2-CE1 4.19Å; Y4-Y95 HydrophobicContact CG-CE2 4.35Å; Y4-I96 CarbonylContact O-C 3.11Å; Y4-I96 WeakPolarHBondContact O-CA 3.44Å; Y4-Y97 PolarHBondContact O-N 3.02Å | ||
| 5 | T | 93.8 | Very high | 91 | Very high | 105 Ų | 105 | 70.6 Ų | 70.6 | 64% | 0.644 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -85.2 | -7.4 | 178 | 54.6 | 0 | 0 | 0 | 0 | 115.1 | Y97 | T5-Y97 WeakPolarHBondContact CA-O 3.45Å; T5-Y97 HydrophobicContact CG2-CD1 3.96Å |
| 6 | S | 92.8 | Very high | 91.3 | Very high | 35 Ų | 35 | 69.1 Ų | 69.1 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -135.1 | 143.7 | 179.9 | 165.2 | 0 | 0 | 0 | 0 | 109.5 | F8 R93 | S6-F8 PolarHBondContact O-N 3.21Å; S6-F8 PolarHBondContact OG-N 3.17Å; S6-F8 PolarHBondContact OG-O 3.19Å; S6-R93 WeakPolarHBondContact O-CD 3.33Å; S6-R93 PolarHBondContact O-NH1 3.47Å |
| 7 | P | 92.2 | Very high | 91.5 | Very high | 31 Ų | 31 | 66.5 Ų | 66.5 | 20% | 0.201 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -63.4 | -24.5 | 178.1 | 24.6 | -33.8 | 0 | 0 | 0 | 113.6 | R92 R93 I96 | P7-R92 VanDerWaalsContact CB-NH1 3.26Å; P7-R93 PolarHBondContact O-N 2.6Å; P7-I96 HydrophobicContact CB-CD1 4Å; P7-I96 HydrophobicContact CB-CG1 4.24Å; P7-I96 HydrophobicContact CG-CD1 4.19Å |
| 8 | F | 94.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.009 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -126 | 153.9 | -179.6 | -62.8 | -78 | 0 | 0 | 0 | 111.5 | S6 N10 L13 H17 L88 R92 | S6-F8 PolarHBondContact O-N 3.21Å; S6-F8 PolarHBondContact OG-N 3.17Å; S6-F8 PolarHBondContact OG-O 3.19Å; F8-N10 VanDerWaalsContact C-N 3.28Å; F8-N10 PolarHBondContact O-N 3.4Å; F8-L13 HydrophobicContact CB-CB 3.8Å; F8-L13 HydrophobicContact CD1-CB 4.01Å; F8-L13 HydrophobicContact CG-CB 3.93Å; F8-H17 HydrophobicContact CD2-CB 4.25Å; F8-H17 HydrophobicContact CE2-CB 3.44Å; F8-H17 VanDerWaalsContact CE2-CB 3.44Å; F8-H17 AromaticContact CE2-CD2 3.7Å; F8-H17 AromaticContact CE2-CG 3.41Å; F8-H17 VanDerWaalsContact CE2-CG 3.41Å; F8-H17 AromaticContact CE2-ND1 3.95Å; F8-H17 HydrophobicContact CZ-CB 3.77Å; F8-H17 AromaticContact CZ-CD2 3.54Å; F8-H17 AromaticContact CZ-CG 3.7Å; F8-L88 HydrophobicContact CE1-CB 4.16Å; F8-L88 WeakPolarHBondContact CE1-O 3.39Å; F8-L88 HydrophobicContact CZ-CB 4.43Å; F8-R92 HydrophobicContact CD1-CB 4.39Å; F8-R92 HydrophobicContact CE1-CB 3.72Å; F8-R92 HydrophobicContact CE1-CG 4.16Å; F8-R92 HydrophobicContact CZ-CB 4.19Å; F8-R92 HydrophobicContact CZ-CG 4.23Å |
| 9 | P | 92 | Very high | 92 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -70.4 | -19 | -178.3 | 27.5 | -35.6 | 0 | 0 | 0 | 114.2 | L13 A91 | P9-L13 HydrophobicContact CG-CD1 3.96Å; P9-A91 WeakPolarHBondContact CD-O 3.36Å |
| 10 | N | 93.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 66.3 Ų | 66.3 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -143.2 | 158.5 | 178.2 | 65.1 | 59.6 | 0 | 0 | 0 | 111.8 | F8 F12 L13 S14 | F8-N10 VanDerWaalsContact C-N 3.28Å; F8-N10 PolarHBondContact O-N 3.4Å; N10-F12 VanDerWaalsContact C-N 3.31Å; N10-F12 PolarHBondContact O-N 2.84Å; N10-F12 PolarHBondContact OD1-N 3.49Å; N10-L13 PolarHBondContact O-N 3.49Å; N10-L13 WeakPolarHBondContact OD1-CG 3.48Å; N10-L13 PolarHBondContact OD1-N 2.6Å; N10-S14 PolarHBondContact O-N 3.18Å |
| 11 | S | 93.6 | Very high | 92.3 | Very high | 91 Ų | 91 | 66.2 Ų | 66.2 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.7 | -29.6 | -176.3 | -52.2 | 0 | 0 | 0 | 0 | 113.6 | S14 I15 | S11-S14 WeakPolarHBondContact O-CB 3.42Å; S11-S14 PolarHBondContact O-N 2.78Å; S11-I15 VanDerWaalsContact O-CG1 3.3Å; S11-I15 WeakPolarHBondContact O-CG1 3.49Å; S11-I15 PolarHBondContact O-N 3.23Å |
| 12 | F | 95.4 | Very high | 93.9 | Very high | 142 Ų | 142 | 63 Ų | 63 | 62% | 0.623 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.5 | -48 | 178.2 | 174.2 | -99.1 | 0 | 0 | 0 | 111.4 | N10 S14 I15 L16 | N10-F12 VanDerWaalsContact C-N 3.31Å; N10-F12 PolarHBondContact O-N 2.84Å; N10-F12 PolarHBondContact OD1-N 3.49Å; F12-S14 VanDerWaalsContact C-N 3.3Å; F12-S14 PolarHBondContact O-N 3.05Å; F12-I15 PolarHBondContact O-N 3.07Å; F12-L16 HydrophobicContact CE1-CD2 4.18Å; F12-L16 HydrophobicContact CZ-CD2 4.35Å; F12-L16 WeakPolarHBondContact O-CB 3.34Å; F12-L16 PolarHBondContact O-N 3.24Å |
| 13 | L | 95.3 | Very high | 94.6 | Very high | 31 Ų | 31 | 59.6 Ų | 59.6 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 176 | -67.4 | 175.5 | 0 | 0 | 0 | 111.7 | F8 P9 N10 L16 H17 L88 A91 | F8-L13 HydrophobicContact CB-CB 3.8Å; F8-L13 HydrophobicContact CD1-CB 4.01Å; F8-L13 HydrophobicContact CG-CB 3.93Å; P9-L13 HydrophobicContact CG-CD1 3.96Å; N10-L13 PolarHBondContact O-N 3.49Å; N10-L13 WeakPolarHBondContact OD1-CG 3.48Å; N10-L13 PolarHBondContact OD1-N 2.6Å; L13-L16 PolarHBondContact O-N 3.29Å; L13-H17 VanDerWaalsContact O-CB 3.28Å; L13-H17 WeakPolarHBondContact O-CB 3.3Å; L13-H17 PolarHBondContact O-N 2.93Å; L13-L88 HydrophobicContact CD2-CD2 3.55Å; L13-A91 HydrophobicContact CD1-CB 4.02Å |
| 14 | S | 93.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.3 | -64 | 0 | 0 | 0 | 0 | 112.4 | N10 S11 F12 H17 S18 | N10-S14 PolarHBondContact O-N 3.18Å; S11-S14 WeakPolarHBondContact O-CB 3.42Å; S11-S14 PolarHBondContact O-N 2.78Å; F12-S14 VanDerWaalsContact C-N 3.3Å; F12-S14 PolarHBondContact O-N 3.05Å; S14-H17 PolarHBondContact O-N 2.84Å; S14-S18 PolarHBondContact O-N 3.17Å; S14-S18 PolarHBondContact O-OG 3.11Å; S14-S18 VanDerWaalsContact O-OG 3.11Å |
| 15 | I | 95.8 | Very high | 94.9 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 61% | 0.605 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.9 | -45.3 | 177.3 | -68.8 | 164.3 | 0 | 0 | 0 | 110.3 | S11 F12 H17 S18 F19 | S11-I15 VanDerWaalsContact O-CG1 3.3Å; S11-I15 WeakPolarHBondContact O-CG1 3.49Å; S11-I15 PolarHBondContact O-N 3.23Å; F12-I15 PolarHBondContact O-N 3.07Å; I15-H17 VanDerWaalsContact C-N 3.31Å; I15-H17 PolarHBondContact O-N 3.18Å; I15-S18 PolarHBondContact O-N 3.34Å; I15-F19 WeakPolarHBondContact O-CB 3.31Å; I15-F19 PolarHBondContact O-N 2.88Å |
| 16 | L | 96.4 | Very high | 95 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 179.1 | -171.7 | 55.6 | 0 | 0 | 0 | 111.5 | F12 L13 F19 S20 L88 | F12-L16 HydrophobicContact CE1-CD2 4.18Å; F12-L16 HydrophobicContact CZ-CD2 4.35Å; F12-L16 WeakPolarHBondContact O-CB 3.34Å; F12-L16 PolarHBondContact O-N 3.24Å; L13-L16 PolarHBondContact O-N 3.29Å; L16-F19 PolarHBondContact O-N 2.92Å; L16-S20 WeakPolarHBondContact O-CB 3.46Å; L16-S20 PolarHBondContact O-N 2.71Å; L16-S20 PolarHBondContact O-OG 2.68Å; L16-L88 HydrophobicContact CB-CD1 4.28Å; L16-L88 HydrophobicContact CD2-CD2 3.97Å; L16-L88 HydrophobicContact CG-CD1 4.02Å; L16-L88 HydrophobicContact CG-CD2 4.32Å |
| 17 | H | 94.4 | Very high | 95.2 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 11% | 0.111 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 172.5 | 172.9 | -91 | 0 | 0 | 0 | 111.8 | F8 L13 S14 I15 F19 S20 W21 W85 L88 | F8-H17 HydrophobicContact CD2-CB 4.25Å; F8-H17 HydrophobicContact CE2-CB 3.44Å; F8-H17 VanDerWaalsContact CE2-CB 3.44Å; F8-H17 AromaticContact CE2-CD2 3.7Å; F8-H17 AromaticContact CE2-CG 3.41Å; F8-H17 VanDerWaalsContact CE2-CG 3.41Å; F8-H17 AromaticContact CE2-ND1 3.95Å; F8-H17 HydrophobicContact CZ-CB 3.77Å; F8-H17 AromaticContact CZ-CD2 3.54Å; F8-H17 AromaticContact CZ-CG 3.7Å; L13-H17 VanDerWaalsContact O-CB 3.28Å; L13-H17 WeakPolarHBondContact O-CB 3.3Å; L13-H17 PolarHBondContact O-N 2.93Å; S14-H17 PolarHBondContact O-N 2.84Å; I15-H17 VanDerWaalsContact C-N 3.31Å; I15-H17 PolarHBondContact O-N 3.18Å; H17-F19 VanDerWaalsContact C-N 3.35Å; H17-F19 PolarHBondContact O-N 3.3Å; H17-S20 PolarHBondContact O-N 3Å; H17-W21 AromaticContact CE1-CD1 3.5Å; H17-W21 VanDerWaalsContact CE1-CD1 3.5Å; H17-W21 AromaticContact NE2-CD1 3.47Å; H17-W21 AromaticContact NE2-NE1 3.92Å; H17-W21 PolarHBondContact O-N 3.28Å; H17-W85 AromaticContact CD2-CD1 3.63Å; H17-W85 AromaticContact CD2-NE1 3.75Å; H17-W85 AromaticContact NE2-CD1 3.81Å; H17-W85 AromaticContact NE2-NE1 3.53Å; H17-L88 HydrophobicContact CB-CD1 3.94Å |
| 18 | S | 95.1 | Very high | 95.3 | Very high | 78 Ų | 78 | 56.9 Ų | 56.9 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 177.4 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | S14 I15 W21 G22 | S14-S18 PolarHBondContact O-N 3.17Å; S14-S18 PolarHBondContact O-OG 3.11Å; S14-S18 VanDerWaalsContact O-OG 3.11Å; I15-S18 PolarHBondContact O-N 3.34Å; S18-W21 PolarHBondContact O-N 3.03Å; S18-G22 PolarHBondContact O-N 3.47Å |
| 19 | F | 96.9 | Very high | 95.4 | Very high | 117 Ų | 117 | 60.7 Ų | 60.7 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174.3 | 178 | -101.6 | 0 | 0 | 0 | 111.7 | I15 L16 H17 W21 G22 L23 L84 | I15-F19 WeakPolarHBondContact O-CB 3.31Å; I15-F19 PolarHBondContact O-N 2.88Å; L16-F19 PolarHBondContact O-N 2.92Å; H17-F19 VanDerWaalsContact C-N 3.35Å; H17-F19 PolarHBondContact O-N 3.3Å; F19-W21 VanDerWaalsContact C-N 3.34Å; F19-W21 PolarHBondContact O-N 3.45Å; F19-G22 WeakPolarHBondContact O-CA 3.47Å; F19-G22 PolarHBondContact O-N 2.75Å; F19-G22 VanDerWaalsContact O-N 3.1Å; F19-L23 HydrophobicContact CD1-CD1 4.31Å; F19-L23 HydrophobicContact CE1-CD1 3.71Å; F19-L23 HydrophobicContact CE1-CG 4.43Å; F19-L23 HydrophobicContact CZ-CD1 4.03Å; F19-L23 HydrophobicContact CZ-CG 4.45Å; F19-L23 PolarHBondContact O-N 2.64Å; F19-L84 HydrophobicContact CD1-CD1 4.05Å; F19-L84 HydrophobicContact CE1-CD1 3.91Å |
| 20 | S | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | L16 H17 G22 L23 I24 L84 | L16-S20 WeakPolarHBondContact O-CB 3.46Å; L16-S20 PolarHBondContact O-N 2.71Å; L16-S20 PolarHBondContact O-OG 2.68Å; H17-S20 PolarHBondContact O-N 3Å; S20-G22 VanDerWaalsContact C-N 3.34Å; S20-L23 PolarHBondContact O-N 3.44Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 3.03Å; S20-I24 VanDerWaalsContact O-N 3.08Å; S20-L84 WeakPolarHBondContact OG-CB 3.35Å |
| 21 | W | 94.7 | Very high | 95.6 | Very high | 66 Ų | 66 | 57.3 Ų | 57.3 | 25% | 0.25 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 174.4 | -111.4 | 112.4 | 0 | 0 | 0 | 112.3 | H17 S18 F19 L23 I24 F25 Y28 W85 | H17-W21 AromaticContact CE1-CD1 3.5Å; H17-W21 VanDerWaalsContact CE1-CD1 3.5Å; H17-W21 AromaticContact NE2-CD1 3.47Å; H17-W21 AromaticContact NE2-NE1 3.92Å; H17-W21 PolarHBondContact O-N 3.28Å; S18-W21 PolarHBondContact O-N 3.03Å; F19-W21 VanDerWaalsContact C-N 3.34Å; F19-W21 PolarHBondContact O-N 3.45Å; W21-L23 PolarHBondContact O-N 3.46Å; W21-I24 HydrophobicContact CE3-CB 4.1Å; W21-I24 HydrophobicContact CE3-CG2 4.08Å; W21-I24 HydrophobicContact CH2-CG2 4.37Å; W21-I24 HydrophobicContact CZ3-CB 4.39Å; W21-I24 HydrophobicContact CZ3-CG2 3.88Å; W21-I24 PolarHBondContact O-N 3.46Å; W21-F25 HydrophobicContact CE3-CB 3.87Å; W21-F25 HydrophobicContact CE3-CD2 4.38Å; W21-F25 HydrophobicContact CZ3-CB 4.18Å; W21-F25 HydrophobicContact CZ3-CD2 4.16Å; W21-F25 WeakPolarHBondContact O-CA 3.24Å; W21-F25 WeakPolarHBondContact O-CB 3.13Å; W21-F25 PolarHBondContact O-N 2.97Å; W21-Y28 HydrophobicContact CH2-CD1 4.38Å; W21-Y28 HydrophobicContact CH2-CG 4.34Å; W21-Y28 HydrophobicContact CZ3-CD1 4.22Å; W21-Y28 HydrophobicContact CZ3-CG 4.32Å; W21-W85 AromaticContact CD1-CD1 3.9Å; W21-W85 AromaticContact CD1-NE1 3.84Å; W21-W85 AromaticContact NE1-NE1 3.61Å |
| 22 | G | 96.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57 | -33.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S18 F19 S20 P26 | S18-G22 PolarHBondContact O-N 3.47Å; F19-G22 WeakPolarHBondContact O-CA 3.47Å; F19-G22 PolarHBondContact O-N 2.75Å; F19-G22 VanDerWaalsContact O-N 3.1Å; S20-G22 VanDerWaalsContact C-N 3.34Å; G22-P26 VanDerWaalsContact O-CD 3.31Å; G22-P26 WeakPolarHBondContact O-CD 3.39Å |
| 23 | L | 97.6 | Very high | 95.5 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 18% | 0.183 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.8 | -37.3 | 175.1 | -62.9 | 176.4 | 0 | 0 | 0 | 113.3 | F19 S20 W21 F77 A78 I80 L84 | F19-L23 HydrophobicContact CD1-CD1 4.31Å; F19-L23 HydrophobicContact CE1-CD1 3.71Å; F19-L23 HydrophobicContact CE1-CG 4.43Å; F19-L23 HydrophobicContact CZ-CD1 4.03Å; F19-L23 HydrophobicContact CZ-CG 4.45Å; F19-L23 PolarHBondContact O-N 2.64Å; S20-L23 PolarHBondContact O-N 3.44Å; W21-L23 PolarHBondContact O-N 3.46Å; L23-F77 WeakPolarHBondContact CB-O 3.42Å; L23-F77 HydrophobicContact CD2-CB 4.37Å; L23-F77 HydrophobicContact CD2-CD1 4.43Å; L23-A78 PolarHBondContact O-N 2.99Å; L23-I80 HydrophobicContact CD1-CB 4.49Å; L23-I80 HydrophobicContact CD1-CG2 4.03Å; L23-L84 HydrophobicContact CD1-CD1 4.42Å |
| 24 | I | 96.3 | Very high | 95.4 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75 | -38.7 | -179.7 | -65.2 | 165.8 | 0 | 0 | 0 | 111.6 | S20 W21 C27 Y28 W85 | S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 3.03Å; S20-I24 VanDerWaalsContact O-N 3.08Å; W21-I24 HydrophobicContact CE3-CB 4.1Å; W21-I24 HydrophobicContact CE3-CG2 4.08Å; W21-I24 HydrophobicContact CH2-CG2 4.37Å; W21-I24 HydrophobicContact CZ3-CB 4.39Å; W21-I24 HydrophobicContact CZ3-CG2 3.88Å; W21-I24 PolarHBondContact O-N 3.46Å; I24-C27 PolarHBondContact O-N 2.83Å; I24-Y28 PolarHBondContact O-N 3.45Å; I24-Y28 VanDerWaalsContact O-N 3.13Å; I24-W85 HydrophobicContact CD1-CB 3.7Å; I24-W85 HydrophobicContact CD1-CD2 4.41Å; I24-W85 HydrophobicContact CD1-CG 3.94Å |
| 25 | F | 95.8 | Very high | 95.4 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.2 | -45.1 | -166 | 178.2 | -101.6 | 0 | 0 | 0 | 114.3 | W21 C27 Y28 W29 R374 | W21-F25 HydrophobicContact CE3-CB 3.87Å; W21-F25 HydrophobicContact CE3-CD2 4.38Å; W21-F25 HydrophobicContact CZ3-CB 4.18Å; W21-F25 HydrophobicContact CZ3-CD2 4.16Å; W21-F25 WeakPolarHBondContact O-CA 3.24Å; W21-F25 WeakPolarHBondContact O-CB 3.13Å; W21-F25 PolarHBondContact O-N 2.97Å; F25-C27 VanDerWaalsContact C-N 3.34Å; F25-C27 PolarHBondContact O-N 2.62Å; F25-Y28 HydrophobicContact CD2-CD1 4.12Å; F25-Y28 HydrophobicContact CE2-CD1 4.23Å; F25-Y28 HydrophobicContact CE2-CE1 4.47Å; F25-Y28 PolarHBondContact O-N 3.12Å; F25-W29 HydrophobicContact CE1-CB 4.26Å; F25-W29 HydrophobicContact CE2-CB 4.43Å; F25-W29 HydrophobicContact CE2-CE3 4.22Å; F25-W29 HydrophobicContact CZ-CB 4.09Å; F25-W29 HydrophobicContact CZ-CD2 4.05Å; F25-W29 AromaticContact CZ-CE3 3.73Å; F25-W29 HydrophobicContact CZ-CE3 3.73Å; F25-W29 HydrophobicContact CZ-CG 4.27Å; F25-W29 HydrophobicContact CZ-CZ3 4.5Å; F25-W29 WeakPolarHBondContact O-CB 3.22Å; F25-W29 PolarHBondContact O-N 3.01Å; F25-R374 VanDerWaalsContact CE2-NH1 3.31Å |
| 26 | P | 96.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 178.8 | -25.7 | 35.7 | 0 | 0 | 0 | 112.5 | G22 Y28 W29 F30 | G22-P26 VanDerWaalsContact O-CD 3.31Å; G22-P26 WeakPolarHBondContact O-CD 3.39Å; P26-Y28 PolarHBondContact O-N 3.24Å; P26-W29 PolarHBondContact O-N 2.93Å; P26-F30 HydrophobicContact CB-CD2 4.41Å; P26-F30 HydrophobicContact CB-CE2 3.94Å; P26-F30 WeakPolarHBondContact O-CD2 3.1Å; P26-F30 VanDerWaalsContact O-CG 3.29Å; P26-F30 WeakPolarHBondContact O-CG 3.41Å; P26-F30 PolarHBondContact O-N 2.92Å |
| 27 | C | 96.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | I24 F25 A31 L71 S74 A78 | I24-C27 PolarHBondContact O-N 2.83Å; F25-C27 VanDerWaalsContact C-N 3.34Å; F25-C27 PolarHBondContact O-N 2.62Å; C27-A31 WeakPolarHBondContact O-CB 3.42Å; C27-A31 PolarHBondContact O-N 3.45Å; C27-L71 WeakPolarHBondContact O-CD1 3.5Å; C27-L71 VanDerWaalsContact SG-CD1 3.56Å; C27-S74 VanDerWaalsContact CA-OG 3.29Å; C27-S74 WeakPolarHBondContact CA-OG 3.4Å; C27-A78 HydrophobicContact CB-CB 3.46Å; C27-A78 VanDerWaalsContact CB-CB 3.46Å |
| 28 | Y | 94.7 | Very high | 94.4 | Very high | 61 Ų | 61 | 49 Ų | 49 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | 175.1 | 161.9 | -100.3 | 0 | 0 | 0 | 111.7 | W21 I24 F25 P26 A31 D32 P135 D372 | W21-Y28 HydrophobicContact CH2-CD1 4.38Å; W21-Y28 HydrophobicContact CH2-CG 4.34Å; W21-Y28 HydrophobicContact CZ3-CD1 4.22Å; W21-Y28 HydrophobicContact CZ3-CG 4.32Å; I24-Y28 PolarHBondContact O-N 3.45Å; I24-Y28 VanDerWaalsContact O-N 3.13Å; F25-Y28 HydrophobicContact CD2-CD1 4.12Å; F25-Y28 HydrophobicContact CE2-CD1 4.23Å; F25-Y28 HydrophobicContact CE2-CE1 4.47Å; F25-Y28 PolarHBondContact O-N 3.12Å; P26-Y28 PolarHBondContact O-N 3.24Å; Y28-A31 PolarHBondContact O-N 3.3Å; Y28-D32 WeakPolarHBondContact O-CB 3.45Å; Y28-D32 PolarHBondContact O-N 3.38Å; Y28-P135 HydrophobicContact CE2-CB 4.33Å; Y28-P135 HydrophobicContact CE2-CG 4.25Å; Y28-P135 VanDerWaalsContact OH-CB 3.29Å; Y28-P135 WeakPolarHBondContact OH-CB 3.34Å; Y28-P135 VanDerWaalsContact OH-CG 3.28Å; Y28-P135 WeakPolarHBondContact OH-CG 3.12Å; Y28-D372 PolarHBondContact OH-OD2 3.24Å |
| 29 | W | 95.3 | Very high | 94.1 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 31% | 0.311 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.2 | -44.8 | -177.8 | 179.3 | -91.7 | 0 | 0 | 0 | 112.2 | F25 P26 D32 R33 | F25-W29 HydrophobicContact CE1-CB 4.26Å; F25-W29 HydrophobicContact CE2-CB 4.43Å; F25-W29 HydrophobicContact CE2-CE3 4.22Å; F25-W29 HydrophobicContact CZ-CB 4.09Å; F25-W29 HydrophobicContact CZ-CD2 4.05Å; F25-W29 AromaticContact CZ-CE3 3.73Å; F25-W29 HydrophobicContact CZ-CE3 3.73Å; F25-W29 HydrophobicContact CZ-CG 4.27Å; F25-W29 HydrophobicContact CZ-CZ3 4.5Å; F25-W29 WeakPolarHBondContact O-CB 3.22Å; F25-W29 PolarHBondContact O-N 3.01Å; P26-W29 PolarHBondContact O-N 2.93Å; W29-D32 PolarHBondContact O-N 3.11Å; W29-R33 WeakPolarHBondContact O-CG 3.43Å; W29-R33 PolarHBondContact O-N 2.95Å |
| 30 | F | 96 | Very high | 93.8 | Very high | 41 Ų | 41 | 42.6 Ų | 42.6 | 18% | 0.18 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 177 | -62.9 | -46.6 | 0 | 0 | 0 | 112 | P26 L34 Y67 L70 L71 | P26-F30 HydrophobicContact CB-CD2 4.41Å; P26-F30 HydrophobicContact CB-CE2 3.94Å; P26-F30 WeakPolarHBondContact O-CD2 3.1Å; P26-F30 VanDerWaalsContact O-CG 3.29Å; P26-F30 WeakPolarHBondContact O-CG 3.41Å; P26-F30 PolarHBondContact O-N 2.92Å; F30-L34 WeakPolarHBondContact O-CB 3.17Å; F30-L34 PolarHBondContact O-N 2.83Å; F30-Y67 AromaticContact CD1-CD1 3.9Å; F30-Y67 HydrophobicContact CD1-CD1 3.9Å; F30-Y67 HydrophobicContact CD1-CE1 4.26Å; F30-L70 HydrophobicContact CD1-CB 4.14Å; F30-L70 HydrophobicContact CD1-CD1 4.24Å; F30-L70 HydrophobicContact CD2-CB 3.77Å; F30-L70 HydrophobicContact CE1-CB 4.08Å; F30-L70 HydrophobicContact CE1-CD1 3.7Å; F30-L70 HydrophobicContact CE1-CG 4.46Å; F30-L70 HydrophobicContact CE2-CB 3.72Å; F30-L70 HydrophobicContact CG-CB 4.01Å; F30-L70 HydrophobicContact CZ-CB 3.88Å; F30-L70 HydrophobicContact CZ-CD1 3.91Å; F30-L70 HydrophobicContact CZ-CD2 4.45Å; F30-L70 HydrophobicContact CZ-CG 4.3Å; F30-L71 HydrophobicContact CB-CB 4.26Å; F30-L71 HydrophobicContact CB-CD1 4.44Å |
| 31 | A | 94.9 | Very high | 93.5 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 30% | 0.298 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C27 Y28 L34 V35 L71 | C27-A31 WeakPolarHBondContact O-CB 3.42Å; C27-A31 PolarHBondContact O-N 3.45Å; Y28-A31 PolarHBondContact O-N 3.3Å; A31-L34 PolarHBondContact O-N 2.92Å; A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.3Å; A31-L71 HydrophobicContact CB-CD1 4.03Å |
| 32 | D | 94.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 177.1 | -178.8 | 63.5 | 0 | 0 | 0 | 111.8 | Y28 W29 L34 V35 A36 D136 S137 | Y28-D32 WeakPolarHBondContact O-CB 3.45Å; Y28-D32 PolarHBondContact O-N 3.38Å; W29-D32 PolarHBondContact O-N 3.11Å; D32-L34 VanDerWaalsContact C-N 3.35Å; D32-L34 PolarHBondContact O-N 2.91Å; D32-V35 PolarHBondContact O-N 2.85Å; D32-A36 WeakPolarHBondContact O-CB 3.39Å; D32-A36 PolarHBondContact O-N 2.83Å; D32-D136 PolarHBondContact OD1-N 3.13Å; D32-D136 VanDerWaalsContact OD1-N 3.12Å; D32-S137 VanDerWaalsContact OD1-CB 3.29Å; D32-S137 WeakPolarHBondContact OD1-CB 3.22Å; D32-S137 PolarHBondContact OD1-N 3.2Å; D32-S137 PolarHBondContact OD1-OG 3.07Å |
| 33 | R | 92.8 | Very high | 92.8 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 21% | 0.211 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.4 | -68.7 | -57.4 | 100.9 | 179 | 6.3 | 112.7 | W29 S37 Y67 D136 | W29-R33 WeakPolarHBondContact O-CG 3.43Å; W29-R33 PolarHBondContact O-N 2.95Å; R33-S37 PolarHBondContact O-N 3.07Å; R33-S37 VanDerWaalsContact O-N 3.16Å; R33-S37 PolarHBondContact O-OG 3.44Å; R33-Y67 HydrophobicContact CB-CD1 4.39Å; R33-Y67 HydrophobicContact CB-CE1 3.97Å; R33-Y67 HydrophobicContact CB-CE2 4.3Å; R33-Y67 HydrophobicContact CG-CE1 4.39Å; R33-D136 IonicContact CZ-OD2 3.25Å; R33-D136 IonicContact NH1-OD2 2.97Å; R33-D136 IonicContact NH2-OD2 3.48Å |
| 34 | L | 92.7 | Very high | 92.3 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -51.6 | 178.5 | -178.2 | 65.5 | 0 | 0 | 0 | 110.6 | F30 A31 D32 S37 F38 T64 L71 | F30-L34 WeakPolarHBondContact O-CB 3.17Å; F30-L34 PolarHBondContact O-N 2.83Å; A31-L34 PolarHBondContact O-N 2.92Å; D32-L34 VanDerWaalsContact C-N 3.35Å; D32-L34 PolarHBondContact O-N 2.91Å; L34-S37 WeakPolarHBondContact O-CB 3.43Å; L34-S37 PolarHBondContact O-N 2.68Å; L34-F38 HydrophobicContact CD1-CE2 3.85Å; L34-F38 HydrophobicContact CG-CE2 4.3Å; L34-F38 WeakPolarHBondContact O-CD2 3.43Å; L34-T64 HydrophobicContact CD1-CG2 4.09Å; L34-L71 HydrophobicContact CD2-CD2 4.28Å |
| 35 | V | 92.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 45 Ų | 45 | 38% | 0.382 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64 | -43.7 | 179 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | A31 D32 S37 F38 V39 | A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.3Å; D32-V35 PolarHBondContact O-N 2.85Å; V35-S37 PolarHBondContact O-N 2.94Å; V35-S37 VanDerWaalsContact O-N 3.17Å; V35-F38 PolarHBondContact O-N 2.9Å; V35-V39 HydrophobicContact CG1-CG2 4.24Å; V35-V39 PolarHBondContact O-N 3.38Å |
| 36 | A | 90.4 | Very high | 91.3 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.5 | -33.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D32 F38 V39 | D32-A36 WeakPolarHBondContact O-CB 3.39Å; D32-A36 PolarHBondContact O-N 2.83Å; A36-F38 PolarHBondContact O-N 3.46Å; A36-V39 PolarHBondContact O-N 2.87Å |
| 37 | S | 87.4 | Confident | 90.4 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -21.6 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | R33 L34 V35 | R33-S37 PolarHBondContact O-N 3.07Å; R33-S37 VanDerWaalsContact O-N 3.16Å; R33-S37 PolarHBondContact O-OG 3.44Å; L34-S37 WeakPolarHBondContact O-CB 3.43Å; L34-S37 PolarHBondContact O-N 2.68Å; V35-S37 PolarHBondContact O-N 2.94Å; V35-S37 VanDerWaalsContact O-N 3.17Å |
| 38 | F | 88.5 | Confident | 89.4 | Confident | 118 Ų | 118 | 52.6 Ų | 52.6 | 52% | 0.518 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -7.9 | -179.9 | -63.3 | -73.6 | 0 | 0 | 0 | 114.1 | L34 V35 A36 P40 I60 T64 | L34-F38 HydrophobicContact CD1-CE2 3.85Å; L34-F38 HydrophobicContact CG-CE2 4.3Å; L34-F38 WeakPolarHBondContact O-CD2 3.43Å; V35-F38 PolarHBondContact O-N 2.9Å; A36-F38 PolarHBondContact O-N 3.46Å; F38-P40 WeakPolarHBondContact O-CD 3.1Å; F38-I60 HydrophobicContact CE1-CG2 3.88Å; F38-I60 HydrophobicContact CZ-CG2 4.21Å; F38-T64 HydrophobicContact CE2-CG2 4.48Å; F38-T64 HydrophobicContact CZ-CG2 3.96Å |
| 39 | V | 89.6 | Confident | 88.2 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -115.7 | 86.2 | -178.6 | -170.6 | 0 | 0 | 0 | 0 | 109.5 | V35 A36 R140 F141 | V35-V39 HydrophobicContact CG1-CG2 4.24Å; V35-V39 PolarHBondContact O-N 3.38Å; A36-V39 PolarHBondContact O-N 2.87Å; V39-R140 HydrophobicContact CB-CB 4.17Å; V39-R140 HydrophobicContact CG1-CB 3.79Å; V39-R140 WeakPolarHBondContact O-CD 3.18Å; V39-R140 PolarHBondContact O-NH1 2.89Å; V39-F141 HydrophobicContact CG1-CE1 4.42Å; V39-F141 HydrophobicContact CG1-CZ 4.48Å; V39-F141 HydrophobicContact CG2-CZ 4.14Å |
| 40 | P | 89.3 | Confident | 86.9 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 20% | 0.195 | 29% | 0.285 | C | S | . | . | trans | -82.5 | 141 | -178.3 | 32.1 | -35.4 | 0 | 0 | 0 | 113.2 | F38 E44 K45 R48 | F38-P40 WeakPolarHBondContact O-CD 3.1Å; P40-E44 WeakPolarHBondContact CA-OE2 3.42Å; P40-K45 HydrophobicContact CB-CG 4.25Å; P40-K45 HydrophobicContact CG-CG 4.28Å; P40-K45 WeakPolarHBondContact O-CE 3.18Å; P40-R48 VanDerWaalsContact CB-NH2 3.32Å | ||
| 41 | T | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -74.2 | 162.7 | 171.3 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | Y43 E44 K45 R140 N143 F145 | T41-Y43 PolarHBondContact O-N 3.39Å; T41-E44 PolarHBondContact N-OE2 3.46Å; T41-E44 PolarHBondContact O-N 2.87Å; T41-E44 WeakPolarHBondContact OG1-CG 3.46Å; T41-E44 PolarHBondContact OG1-N 2.92Å; T41-E44 PolarHBondContact OG1-OE2 3.14Å; T41-E44 VanDerWaalsContact OG1-OE2 3.1Å; T41-K45 WeakPolarHBondContact O-CG 3.23Å; T41-K45 PolarHBondContact O-N 2.95Å; T41-R140 HydrophobicContact CG2-CG 4.14Å; T41-N143 WeakPolarHBondContact CA-OD1 3.26Å; T41-N143 VanDerWaalsContact CB-OD1 3.3Å; T41-N143 WeakPolarHBondContact CB-OD1 3.39Å; T41-F145 HydrophobicContact CG2-CB 4.01Å; T41-F145 HydrophobicContact CG2-CD1 3.85Å; T41-F145 HydrophobicContact CG2-CG 4.28Å | ||
| 42 | T | 90.1 | Very high | 83.6 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -29.9 | 175.1 | 63 | 0 | 0 | 0 | 0 | 111.8 | K45 R46 N143 E560 Y563 | T42-K45 PolarHBondContact O-N 2.9Å; T42-R46 PolarHBondContact O-N 3.05Å; T42-N143 PolarHBondContact N-OD1 2.94Å; T42-N143 PolarHBondContact OG1-ND2 3Å; T42-E560 PolarHBondContact OG1-O 2.81Å; T42-Y563 WeakPolarHBondContact OG1-CD2 3.49Å |
| 43 | Y | 87.1 | Confident | 82 | Confident | 44 Ų | 44 | 65 Ų | 65 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.8 | -54.6 | 170.1 | -179.7 | -101.7 | 0 | 0 | 0 | 112 | T41 K45 R46 Q47 F145 I244 Y563 | T41-Y43 PolarHBondContact O-N 3.39Å; Y43-K45 VanDerWaalsContact C-N 3.29Å; Y43-K45 PolarHBondContact O-N 2.95Å; Y43-R46 PolarHBondContact O-N 3.04Å; Y43-Q47 HydrophobicContact CE1-CG 4.31Å; Y43-Q47 VanDerWaalsContact CE1-NE2 3.33Å; Y43-Q47 PolarHBondContact O-N 3.36Å; Y43-Q47 PolarHBondContact OH-NE2 3.14Å; Y43-F145 AromaticContact CD1-CE1 3.89Å; Y43-F145 HydrophobicContact CD1-CE1 3.89Å; Y43-F145 AromaticContact CD1-CZ 3.68Å; Y43-F145 HydrophobicContact CD1-CZ 3.68Å; Y43-F145 HydrophobicContact CE1-CZ 4.02Å; Y43-F145 HydrophobicContact CG-CE1 4.25Å; Y43-F145 HydrophobicContact CG-CZ 4.42Å; Y43-I244 HydrophobicContact CE2-CB 4.47Å; Y43-I244 HydrophobicContact CE2-CD1 3.55Å; Y43-I244 HydrophobicContact CE2-CG1 3.82Å; Y43-I244 HydrophobicContact CE2-CG2 3.9Å; Y43-I244 WeakPolarHBondContact OH-CG2 3.39Å; Y43-Y563 HydrophobicContact CD2-CG 4.44Å |
| 44 | E | 87 | Confident | 81 | Confident | 34 Ų | 34 | 72 Ų | 72 | 16% | 0.159 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 178.7 | -68.1 | 162.8 | 149.6 | 0 | 0 | 111.5 | P40 T41 R48 R140 | P40-E44 WeakPolarHBondContact CA-OE2 3.42Å; T41-E44 PolarHBondContact N-OE2 3.46Å; T41-E44 PolarHBondContact O-N 2.87Å; T41-E44 WeakPolarHBondContact OG1-CG 3.46Å; T41-E44 PolarHBondContact OG1-N 2.92Å; T41-E44 PolarHBondContact OG1-OE2 3.14Å; T41-E44 VanDerWaalsContact OG1-OE2 3.1Å; E44-R48 WeakPolarHBondContact O-CD 3.46Å; E44-R48 WeakPolarHBondContact O-CG 3.33Å; E44-R48 PolarHBondContact O-N 2.93Å; E44-R48 VanDerWaalsContact O-N 3.14Å; E44-R140 VanDerWaalsContact CD-NH1 3.3Å; E44-R140 IonicContact OE1-CZ 3.01Å; E44-R140 IonicContact OE1-NH1 3.77Å; E44-R140 PolarHBondContact OE1-NH1 2.97Å; E44-R140 IonicContact OE1-NH2 2.72Å; E44-R140 PolarHBondContact OE1-NH2 3.24Å; E44-R140 IonicContact OE2-CZ 3.53Å; E44-R140 IonicContact OE2-NH1 3.85Å; E44-R140 PolarHBondContact OE2-NH1 2.63Å; E44-R140 IonicContact OE2-NH2 3.78Å |
| 45 | K | 86.4 | Confident | 80.2 | Confident | 115 Ų | 115 | 77.1 Ų | 77.1 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 174 | -71.8 | 174 | -172.1 | 172 | 0 | 112.3 | P40 T41 T42 Y43 R48 A49 | P40-K45 HydrophobicContact CB-CG 4.25Å; P40-K45 HydrophobicContact CG-CG 4.28Å; P40-K45 WeakPolarHBondContact O-CE 3.18Å; T41-K45 WeakPolarHBondContact O-CG 3.23Å; T41-K45 PolarHBondContact O-N 2.95Å; T42-K45 PolarHBondContact O-N 2.9Å; Y43-K45 VanDerWaalsContact C-N 3.29Å; Y43-K45 PolarHBondContact O-N 2.95Å; K45-R48 PolarHBondContact O-N 3.48Å; K45-A49 PolarHBondContact O-N 2.98Å |
| 46 | R | 82.9 | Confident | 79.3 | Confident | 110 Ų | 110 | 77.9 Ų | 77.9 | 42% | 0.415 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.3 | -48.9 | 176.7 | -175.3 | 178.2 | -70.4 | 159.8 | 4 | 110.7 | T42 Y43 R48 A49 D50 Y563 D564 | T42-R46 PolarHBondContact O-N 3.05Å; Y43-R46 PolarHBondContact O-N 3.04Å; R46-R48 PolarHBondContact O-N 3.16Å; R46-A49 WeakPolarHBondContact O-CB 3.16Å; R46-A49 PolarHBondContact O-N 2.7Å; R46-D50 PolarHBondContact O-N 3.33Å; R46-Y563 PolarHBondContact NH1-O 3.02Å; R46-D564 IonicContact CZ-OD1 3.65Å; R46-D564 IonicContact NH1-OD1 3.78Å; R46-D564 IonicContact NH2-OD1 2.66Å; R46-D564 PolarHBondContact NH2-OD1 2.99Å |
| 47 | Q | 79 | Confident | 78.8 | Confident | 97 Ų | 97 | 79.7 Ų | 79.7 | 45% | 0.453 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.8 | -36.3 | 176.4 | -73.1 | -170.2 | -27.9 | 0 | 0 | 113.4 | Y43 D50 D51 | Y43-Q47 HydrophobicContact CE1-CG 4.31Å; Y43-Q47 VanDerWaalsContact CE1-NE2 3.33Å; Y43-Q47 PolarHBondContact O-N 3.36Å; Y43-Q47 PolarHBondContact OH-NE2 3.14Å; Q47-D50 PolarHBondContact O-N 3.39Å; Q47-D51 PolarHBondContact O-N 2.88Å |
| 48 | R | 75.8 | Confident | 78.6 | Confident | 85 Ų | 85 | 82.6 Ų | 82.6 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70 | -29.5 | 175.9 | -71.1 | 167.3 | -169.3 | 163.8 | -2 | 114.2 | P40 E44 K45 R46 D50 D51 H56 | P40-R48 VanDerWaalsContact CB-NH2 3.32Å; E44-R48 WeakPolarHBondContact O-CD 3.46Å; E44-R48 WeakPolarHBondContact O-CG 3.33Å; E44-R48 PolarHBondContact O-N 2.93Å; E44-R48 VanDerWaalsContact O-N 3.14Å; K45-R48 PolarHBondContact O-N 3.48Å; R46-R48 PolarHBondContact O-N 3.16Å; R48-D50 PolarHBondContact O-N 3.1Å; R48-D51 VanDerWaalsContact O-O 3.06Å; R48-H56 PolarHBondContact NH2-CD2 3.15Å; R48-H56 PolarHBondContact NH2-NE2 3.18Å |
| 49 | A | 69.9 | Low | 78.4 | Confident | 84 Ų | 84 | 78.9 Ų | 78.9 | 69% | 0.694 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.6 | -29.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K45 R46 | K45-A49 PolarHBondContact O-N 2.98Å; R46-A49 WeakPolarHBondContact O-CB 3.16Å; R46-A49 PolarHBondContact O-N 2.7Å |
| 50 | D | 68.4 | Low | 78.2 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -88.7 | -18.4 | -179.7 | -56.4 | -31.5 | 0 | 0 | 0 | 113 | R46 Q47 R48 P52 | R46-D50 PolarHBondContact O-N 3.33Å; Q47-D50 PolarHBondContact O-N 3.39Å; R48-D50 PolarHBondContact O-N 3.1Å; D50-P52 WeakPolarHBondContact O-CD 3.26Å |
| 51 | D | 60.2 | Low | 78.2 | Confident | 82 Ų | 82 | 83.4 Ų | 83.4 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | trans | -110.4 | 99.6 | 174.2 | -171.3 | 1.4 | 0 | 0 | 0 | 112.1 | Q47 R48 C53 | Q47-D51 PolarHBondContact O-N 2.88Å; R48-D51 VanDerWaalsContact O-O 3.06Å; D51-C53 PolarHBondContact O-N 3.48Å; D51-C53 VanDerWaalsContact O-N 3.12Å; D51-C53 VanDerWaalsContact OD1-CB 3.31Å; D51-C53 WeakPolarHBondContact OD1-CB 3.4Å; D51-C53 PolarHBondContact OD1-N 3.48Å; D51-C53 VanDerWaalsContact OD1-N 3.16Å; D51-C53 PolarHBondContact OD1-SG 3.01Å; D51-C53 VanDerWaalsContact OD1-SG 3.42Å | ||
| 52 | P | 60.4 | Low | 78.2 | Confident | 114 Ų | 114 | 87.8 Ų | 87.8 | 74% | 0.74 | 45% | 0.45 | S | S | * | . | trans | -72.6 | 0.1 | -178.2 | 29.3 | -34.1 | 0 | 0 | 0 | 113.9 | D50 | D50-P52 WeakPolarHBondContact O-CD 3.26Š| ||
| 53 | C | 60.7 | Low | 78.1 | Confident | 80 Ų | 80 | 88.3 Ų | 88.3 | 54% | 0.541 | 45% | 0.453 | S | S | . | . | trans | -80.2 | 125.6 | -178.5 | -60 | 0 | 0 | 0 | 0 | 110.4 | D51 F55 | D51-C53 PolarHBondContact O-N 3.48Å; D51-C53 VanDerWaalsContact O-N 3.12Å; D51-C53 VanDerWaalsContact OD1-CB 3.31Å; D51-C53 WeakPolarHBondContact OD1-CB 3.4Å; D51-C53 PolarHBondContact OD1-N 3.48Å; D51-C53 VanDerWaalsContact OD1-N 3.16Å; D51-C53 PolarHBondContact OD1-SG 3.01Å; D51-C53 VanDerWaalsContact OD1-SG 3.42Å; C53-F55 HydrophobicContact CB-CB 4.2Å; C53-F55 PolarHBondContact O-N 3.39Å | ||
| 54 | Y | 71.1 | Confident | 78.4 | Confident | 202 Ų | 202 | 87.9 Ų | 87.9 | 79% | 0.792 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 14.3 | 169.8 | -65.1 | -85.8 | 0 | 0 | 0 | 114.2 | H56 A57 L58 | Y54-H56 PolarHBondContact O-N 2.85Å; Y54-A57 PolarHBondContact O-N 2.82Å; Y54-L58 WeakPolarHBondContact O-CB 3.37Å; Y54-L58 PolarHBondContact O-N 3.16Å |
| 55 | F | 76.8 | Confident | 78.8 | Confident | 136 Ų | 136 | 89.8 Ų | 89.8 | 60% | 0.596 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -56 | -45.9 | -178.7 | -176.2 | -102.3 | 0 | 0 | 0 | 111.8 | C53 A57 L58 C59 | C53-F55 HydrophobicContact CB-CB 4.2Å; C53-F55 PolarHBondContact O-N 3.39Å; F55-A57 PolarHBondContact O-N 2.9Å; F55-L58 WeakPolarHBondContact O-CB 3.25Å; F55-L58 PolarHBondContact O-N 3.22Å; F55-C59 PolarHBondContact O-N 3.04Å; F55-C59 PolarHBondContact O-SG 3.48Å |
| 56 | H | 73.8 | Confident | 79.2 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 36% | 0.361 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 178.1 | -171.7 | 75.9 | 0 | 0 | 0 | 112.7 | R48 Y54 L58 C59 I60 | R48-H56 PolarHBondContact NH2-CD2 3.15Å; R48-H56 PolarHBondContact NH2-NE2 3.18Å; Y54-H56 PolarHBondContact O-N 2.85Å; H56-L58 VanDerWaalsContact C-N 3.3Å; H56-L58 PolarHBondContact O-N 2.68Å; H56-C59 WeakPolarHBondContact O-CB 3.32Å; H56-C59 PolarHBondContact O-N 3.07Å; H56-I60 WeakPolarHBondContact O-CG1 3.47Å; H56-I60 PolarHBondContact O-N 3.19Å |
| 57 | A | 80.1 | Confident | 79.8 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y54 F55 I60 I61 | Y54-A57 PolarHBondContact O-N 2.82Å; F55-A57 PolarHBondContact O-N 2.9Å; A57-I60 PolarHBondContact O-N 2.95Å; A57-I61 WeakPolarHBondContact O-CD1 3.49Å; A57-I61 VanDerWaalsContact O-CG1 3.24Å; A57-I61 WeakPolarHBondContact O-CG1 3.48Å; A57-I61 PolarHBondContact O-N 2.93Å |
| 58 | L | 83.3 | Confident | 80.5 | Confident | 91 Ų | 91 | 85.9 Ų | 85.9 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 173 | -177.6 | 67.1 | 0 | 0 | 0 | 111.7 | Y54 F55 H56 I60 I61 I62 | Y54-L58 WeakPolarHBondContact O-CB 3.37Å; Y54-L58 PolarHBondContact O-N 3.16Å; F55-L58 WeakPolarHBondContact O-CB 3.25Å; F55-L58 PolarHBondContact O-N 3.22Å; H56-L58 VanDerWaalsContact C-N 3.3Å; H56-L58 PolarHBondContact O-N 2.68Å; L58-I60 VanDerWaalsContact C-N 3.34Å; L58-I60 PolarHBondContact O-N 3.31Å; L58-I61 PolarHBondContact O-N 3.29Å; L58-I62 HydrophobicContact CD1-CD1 3.94Å; L58-I62 HydrophobicContact CD1-CG1 4.36Å; L58-I62 HydrophobicContact CG-CD1 3.86Å; L58-I62 WeakPolarHBondContact O-CG1 3.43Å; L58-I62 PolarHBondContact O-N 3.29Å |
| 59 | C | 83.5 | Confident | 81.5 | Confident | 41 Ų | 41 | 84.8 Ų | 84.8 | 28% | 0.277 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 173.7 | -70.2 | 0 | 0 | 0 | 0 | 111.2 | F55 H56 I62 T63 | F55-C59 PolarHBondContact O-N 3.04Å; F55-C59 PolarHBondContact O-SG 3.48Å; H56-C59 WeakPolarHBondContact O-CB 3.32Å; H56-C59 PolarHBondContact O-N 3.07Å; C59-I62 PolarHBondContact O-N 3.39Å; C59-T63 VanDerWaalsContact O-CB 3.24Å; C59-T63 WeakPolarHBondContact O-CB 3.12Å; C59-T63 WeakPolarHBondContact O-CG2 3.26Å; C59-T63 PolarHBondContact O-N 3.45Å; C59-T63 PolarHBondContact O-OG1 3.37Å |
| 60 | I | 85.8 | Confident | 82.8 | Confident | 36 Ų | 36 | 84.1 Ų | 84.1 | 19% | 0.185 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.2 | -68.1 | 169.6 | 0 | 0 | 0 | 110.5 | F38 H56 A57 L58 I62 T63 T64 | F38-I60 HydrophobicContact CE1-CG2 3.88Å; F38-I60 HydrophobicContact CZ-CG2 4.21Å; H56-I60 WeakPolarHBondContact O-CG1 3.47Å; H56-I60 PolarHBondContact O-N 3.19Å; A57-I60 PolarHBondContact O-N 2.95Å; L58-I60 VanDerWaalsContact C-N 3.34Å; L58-I60 PolarHBondContact O-N 3.31Å; I60-I62 VanDerWaalsContact C-N 3.29Å; I60-I62 PolarHBondContact O-N 2.94Å; I60-T63 PolarHBondContact O-N 3.38Å; I60-T64 WeakPolarHBondContact O-CB 3.49Å; I60-T64 PolarHBondContact O-N 2.85Å; I60-T64 PolarHBondContact O-OG1 3.31Å |
| 61 | I | 89.1 | Confident | 84.1 | Confident | 120 Ų | 120 | 79.6 Ų | 79.6 | 62% | 0.615 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | -179.7 | -70.5 | 164.6 | 0 | 0 | 0 | 111.7 | A57 L58 P65 | A57-I61 WeakPolarHBondContact O-CD1 3.49Å; A57-I61 VanDerWaalsContact O-CG1 3.24Å; A57-I61 WeakPolarHBondContact O-CG1 3.48Å; A57-I61 PolarHBondContact O-N 2.93Å; L58-I61 PolarHBondContact O-N 3.29Å; I61-P65 WeakPolarHBondContact O-CD 3.23Å; I61-P65 WeakPolarHBondContact O-CG 3.39Å |
| 62 | I | 89.8 | Confident | 85.9 | Confident | 92 Ų | 92 | 79.8 Ų | 79.8 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -79.1 | -44.9 | 179.6 | -65.7 | 171 | 0 | 0 | 0 | 111.5 | L58 C59 I60 P65 I66 | L58-I62 HydrophobicContact CD1-CD1 3.94Å; L58-I62 HydrophobicContact CD1-CG1 4.36Å; L58-I62 HydrophobicContact CG-CD1 3.86Å; L58-I62 WeakPolarHBondContact O-CG1 3.43Å; L58-I62 PolarHBondContact O-N 3.29Å; C59-I62 PolarHBondContact O-N 3.39Å; I60-I62 VanDerWaalsContact C-N 3.29Å; I60-I62 PolarHBondContact O-N 2.94Å; I62-P65 VanDerWaalsContact O-CD 3.3Å; I62-P65 WeakPolarHBondContact O-CD 3.31Å; I62-P65 VanDerWaalsContact O-CG 3.3Å; I62-P65 WeakPolarHBondContact O-CG 3.29Å; I62-I66 HydrophobicContact CG2-CD1 4.13Å; I62-I66 WeakPolarHBondContact O-CD1 3.2Å; I62-I66 WeakPolarHBondContact O-CG1 3.33Å |
| 63 | T | 90.1 | Very high | 87.7 | Confident | 43 Ų | 43 | 77.3 Ų | 77.3 | 26% | 0.264 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -76.2 | -31.8 | -174.1 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | C59 I60 I66 Y67 | C59-T63 VanDerWaalsContact O-CB 3.24Å; C59-T63 WeakPolarHBondContact O-CB 3.12Å; C59-T63 WeakPolarHBondContact O-CG2 3.26Å; C59-T63 PolarHBondContact O-N 3.45Å; C59-T63 PolarHBondContact O-OG1 3.37Å; I60-T63 PolarHBondContact O-N 3.38Å; T63-I66 PolarHBondContact O-N 2.73Å; T63-Y67 VanDerWaalsContact O-CD2 3.25Å; T63-Y67 WeakPolarHBondContact O-CD2 3.38Å; T63-Y67 PolarHBondContact O-N 2.97Å |
| 64 | T | 93.4 | Very high | 89.4 | Confident | 35 Ų | 35 | 74 Ų | 74 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.4 | -54.8 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | L34 F38 I60 I66 Y67 L68 | L34-T64 HydrophobicContact CD1-CG2 4.09Å; F38-T64 HydrophobicContact CE2-CG2 4.48Å; F38-T64 HydrophobicContact CZ-CG2 3.96Å; I60-T64 WeakPolarHBondContact O-CB 3.49Å; I60-T64 PolarHBondContact O-N 2.85Å; I60-T64 PolarHBondContact O-OG1 3.31Å; T64-I66 VanDerWaalsContact C-N 3.27Å; T64-I66 PolarHBondContact O-N 2.87Å; T64-Y67 PolarHBondContact O-N 3.09Å; T64-L68 VanDerWaalsContact O-CB 3.32Å; T64-L68 WeakPolarHBondContact O-CB 3.39Å; T64-L68 PolarHBondContact O-N 3.29Å |
| 65 | P | 94.9 | Very high | 90.7 | Very high | 74 Ų | 74 | 68.7 Ų | 68.7 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.3 | -32.5 | 179.5 | 25 | -34.4 | 0 | 0 | 0 | 112.3 | I61 I62 A69 | I61-P65 WeakPolarHBondContact O-CD 3.23Å; I61-P65 WeakPolarHBondContact O-CG 3.39Å; I62-P65 VanDerWaalsContact O-CD 3.3Å; I62-P65 WeakPolarHBondContact O-CD 3.31Å; I62-P65 VanDerWaalsContact O-CG 3.3Å; I62-P65 WeakPolarHBondContact O-CG 3.29Å; P65-A69 WeakPolarHBondContact O-CB 3.34Å; P65-A69 PolarHBondContact O-N 2.85Å |
| 66 | I | 94.3 | Very high | 91.7 | Very high | 91 Ų | 91 | 65.8 Ų | 65.8 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65 | -52.8 | 175.9 | -62.8 | 170.6 | 0 | 0 | 0 | 110.1 | I62 T63 T64 L68 A69 L70 | I62-I66 HydrophobicContact CG2-CD1 4.13Å; I62-I66 WeakPolarHBondContact O-CD1 3.2Å; I62-I66 WeakPolarHBondContact O-CG1 3.33Å; T63-I66 PolarHBondContact O-N 2.73Å; T64-I66 VanDerWaalsContact C-N 3.27Å; T64-I66 PolarHBondContact O-N 2.87Å; I66-L68 VanDerWaalsContact C-N 3.3Å; I66-L68 PolarHBondContact O-N 3.22Å; I66-A69 PolarHBondContact O-N 3.32Å; I66-L70 HydrophobicContact CG2-CD1 3.9Å; I66-L70 HydrophobicContact CG2-CG 4.49Å; I66-L70 WeakPolarHBondContact O-CB 3.38Å; I66-L70 VanDerWaalsContact O-CG 3.31Å; I66-L70 WeakPolarHBondContact O-CG 3.37Å; I66-L70 PolarHBondContact O-N 2.72Å |
| 67 | Y | 94.5 | Very high | 92.8 | Very high | 61 Ų | 61 | 67.8 Ų | 67.8 | 24% | 0.239 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 177.9 | -75.3 | -51.4 | 0 | 0 | 0 | 112.3 | F30 R33 T63 T64 L70 L71 | F30-Y67 AromaticContact CD1-CD1 3.9Å; F30-Y67 HydrophobicContact CD1-CD1 3.9Å; F30-Y67 HydrophobicContact CD1-CE1 4.26Å; R33-Y67 HydrophobicContact CB-CD1 4.39Å; R33-Y67 HydrophobicContact CB-CE1 3.97Å; R33-Y67 HydrophobicContact CB-CE2 4.3Å; R33-Y67 HydrophobicContact CG-CE1 4.39Å; T63-Y67 VanDerWaalsContact O-CD2 3.25Å; T63-Y67 WeakPolarHBondContact O-CD2 3.38Å; T63-Y67 PolarHBondContact O-N 2.97Å; T64-Y67 PolarHBondContact O-N 3.09Å; Y67-L70 PolarHBondContact O-N 3.34Å; Y67-L71 WeakPolarHBondContact O-CB 3.4Å; Y67-L71 PolarHBondContact O-N 3.05Å |
| 68 | L | 95.6 | Very high | 93.6 | Very high | 88 Ų | 88 | 66.2 Ų | 66.2 | 46% | 0.461 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.3 | -174.6 | 63.7 | 0 | 0 | 0 | 111.6 | T64 I66 L71 V72 | T64-L68 VanDerWaalsContact O-CB 3.32Å; T64-L68 WeakPolarHBondContact O-CB 3.39Å; T64-L68 PolarHBondContact O-N 3.29Å; I66-L68 VanDerWaalsContact C-N 3.3Å; I66-L68 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 3.11Å; L68-V72 WeakPolarHBondContact O-CG2 3.38Å; L68-V72 PolarHBondContact O-N 3.23Å |
| 69 | A | 96.4 | Very high | 94.3 | Very high | 62 Ų | 62 | 67.1 Ų | 67.1 | 51% | 0.512 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P65 I66 V72 A73 | P65-A69 WeakPolarHBondContact O-CB 3.34Å; P65-A69 PolarHBondContact O-N 2.85Å; I66-A69 PolarHBondContact O-N 3.32Å; A69-V72 PolarHBondContact O-N 3.27Å; A69-A73 WeakPolarHBondContact O-CB 3.08Å; A69-A73 PolarHBondContact O-N 3.17Å |
| 70 | L | 96.7 | Very high | 94.9 | Very high | 70 Ų | 70 | 69.4 Ų | 69.4 | 37% | 0.366 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 176.8 | -68.5 | 173.1 | 0 | 0 | 0 | 112.4 | F30 I66 Y67 A73 S74 | F30-L70 HydrophobicContact CD1-CB 4.14Å; F30-L70 HydrophobicContact CD1-CD1 4.24Å; F30-L70 HydrophobicContact CD2-CB 3.77Å; F30-L70 HydrophobicContact CE1-CB 4.08Å; F30-L70 HydrophobicContact CE1-CD1 3.7Å; F30-L70 HydrophobicContact CE1-CG 4.46Å; F30-L70 HydrophobicContact CE2-CB 3.72Å; F30-L70 HydrophobicContact CG-CB 4.01Å; F30-L70 HydrophobicContact CZ-CB 3.88Å; F30-L70 HydrophobicContact CZ-CD1 3.91Å; F30-L70 HydrophobicContact CZ-CD2 4.45Å; F30-L70 HydrophobicContact CZ-CG 4.3Å; I66-L70 HydrophobicContact CG2-CD1 3.9Å; I66-L70 HydrophobicContact CG2-CG 4.49Å; I66-L70 WeakPolarHBondContact O-CB 3.38Å; I66-L70 VanDerWaalsContact O-CG 3.31Å; I66-L70 WeakPolarHBondContact O-CG 3.37Å; I66-L70 PolarHBondContact O-N 2.72Å; Y67-L70 PolarHBondContact O-N 3.34Å; L70-A73 PolarHBondContact O-N 2.82Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 3.23Å; L70-S74 PolarHBondContact O-OG 2.79Å |
| 71 | L | 96.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 67.7 Ų | 67.7 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -51.8 | 173.5 | 179.9 | 63.1 | 0 | 0 | 0 | 110.4 | C27 F30 A31 L34 Y67 L68 A73 S74 L75 | C27-L71 WeakPolarHBondContact O-CD1 3.5Å; C27-L71 VanDerWaalsContact SG-CD1 3.56Å; F30-L71 HydrophobicContact CB-CB 4.26Å; F30-L71 HydrophobicContact CB-CD1 4.44Å; A31-L71 HydrophobicContact CB-CD1 4.03Å; L34-L71 HydrophobicContact CD2-CD2 4.28Å; Y67-L71 WeakPolarHBondContact O-CB 3.4Å; Y67-L71 PolarHBondContact O-N 3.05Å; L68-L71 PolarHBondContact O-N 3.11Å; L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 3.42Å; L71-S74 PolarHBondContact O-N 2.8Å; L71-S74 VanDerWaalsContact O-N 3.12Å; L71-S74 PolarHBondContact O-OG 3.15Å; L71-L75 WeakPolarHBondContact O-CG 2.93Å; L71-L75 PolarHBondContact O-N 2.91Å; L71-L75 VanDerWaalsContact O-N 3.09Å |
| 72 | V | 97.3 | Very high | 95.6 | Very high | 87 Ų | 87 | 65.5 Ų | 65.5 | 53% | 0.527 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | L68 A69 S74 L75 | L68-V72 WeakPolarHBondContact O-CG2 3.38Å; L68-V72 PolarHBondContact O-N 3.23Å; A69-V72 PolarHBondContact O-N 3.27Å; V72-S74 VanDerWaalsContact C-N 3.29Å; V72-S74 PolarHBondContact O-N 2.92Å; V72-L75 PolarHBondContact O-N 2.93Å |
| 73 | A | 97.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 51% | 0.512 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -30.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A69 L70 L71 | A69-A73 WeakPolarHBondContact O-CB 3.08Å; A69-A73 PolarHBondContact O-N 3.17Å; L70-A73 PolarHBondContact O-N 2.82Å; L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 3.42Å |
| 74 | S | 97.6 | Very high | 96 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -88.2 | -17.1 | -178.9 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | C27 L70 L71 V72 F77 A78 | C27-S74 VanDerWaalsContact CA-OG 3.29Å; C27-S74 WeakPolarHBondContact CA-OG 3.4Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 3.23Å; L70-S74 PolarHBondContact O-OG 2.79Å; L71-S74 PolarHBondContact O-N 2.8Å; L71-S74 VanDerWaalsContact O-N 3.12Å; L71-S74 PolarHBondContact O-OG 3.15Å; V72-S74 VanDerWaalsContact C-N 3.29Å; V72-S74 PolarHBondContact O-N 2.92Å; S74-F77 PolarHBondContact O-N 2.8Å; S74-A78 PolarHBondContact O-N 2.73Å |
| 75 | L | 97.4 | Very high | 96 | Very high | 91 Ų | 91 | 66.5 Ų | 66.5 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -53.4 | -44.9 | 179.9 | -79.7 | 171.7 | 0 | 0 | 0 | 114.6 | L71 V72 F77 A78 L79 | L71-L75 WeakPolarHBondContact O-CG 2.93Å; L71-L75 PolarHBondContact O-N 2.91Å; L71-L75 VanDerWaalsContact O-N 3.09Å; V72-L75 PolarHBondContact O-N 2.93Å; L75-F77 VanDerWaalsContact C-N 3.33Å; L75-F77 PolarHBondContact O-N 2.81Å; L75-A78 PolarHBondContact O-N 3.36Å; L75-L79 PolarHBondContact O-N 3.4Å |
| 76 | P | 97.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 64.7 Ų | 64.7 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | -180 | -22.7 | 34.4 | 0 | 0 | 0 | 112.7 | L79 I80 | P76-L79 PolarHBondContact O-N 3.45Å; P76-I80 WeakPolarHBondContact O-CG1 3.26Å; P76-I80 PolarHBondContact O-N 2.85Å |
| 77 | F | 97.6 | Very high | 95.6 | Very high | 119 Ų | 119 | 64 Ų | 64 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 176.5 | -59 | -78.1 | 0 | 0 | 0 | 110.8 | L23 S74 L75 L79 I80 G81 | L23-F77 WeakPolarHBondContact CB-O 3.42Å; L23-F77 HydrophobicContact CD2-CB 4.37Å; L23-F77 HydrophobicContact CD2-CD1 4.43Å; S74-F77 PolarHBondContact O-N 2.8Å; L75-F77 VanDerWaalsContact C-N 3.33Å; L75-F77 PolarHBondContact O-N 2.81Å; F77-L79 VanDerWaalsContact C-N 3.28Å; F77-L79 PolarHBondContact O-N 2.97Å; F77-I80 PolarHBondContact O-N 2.85Å; F77-G81 PolarHBondContact O-N 2.56Å |
| 78 | A | 97.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L23 C27 S74 L75 G81 F82 | L23-A78 PolarHBondContact O-N 2.99Å; C27-A78 HydrophobicContact CB-CB 3.46Å; C27-A78 VanDerWaalsContact CB-CB 3.46Å; S74-A78 PolarHBondContact O-N 2.73Å; L75-A78 PolarHBondContact O-N 3.36Å; A78-G81 PolarHBondContact O-N 3.28Å; A78-F82 VanDerWaalsContact O-CB 3.27Å; A78-F82 WeakPolarHBondContact O-CB 3.3Å; A78-F82 PolarHBondContact O-N 2.81Å |
| 79 | L | 96.8 | Very high | 95.1 | Very high | 109 Ų | 109 | 57.6 Ų | 57.6 | 57% | 0.571 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.7 | -47.6 | 173.8 | 180 | 62.6 | 0 | 0 | 0 | 111.6 | L75 P76 F77 G81 F82 L83 | L75-L79 PolarHBondContact O-N 3.4Å; P76-L79 PolarHBondContact O-N 3.45Å; F77-L79 VanDerWaalsContact C-N 3.28Å; F77-L79 PolarHBondContact O-N 2.97Å; L79-G81 VanDerWaalsContact C-N 3.35Å; L79-F82 PolarHBondContact O-N 2.88Å; L79-L83 HydrophobicContact CG-CD1 4.47Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 2.96Å |
| 80 | I | 97.3 | Very high | 94.6 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 176 | -64.9 | 166.8 | 0 | 0 | 0 | 110.1 | L23 P76 F77 F82 L83 L84 | L23-I80 HydrophobicContact CD1-CB 4.49Å; L23-I80 HydrophobicContact CD1-CG2 4.03Å; P76-I80 WeakPolarHBondContact O-CG1 3.26Å; P76-I80 PolarHBondContact O-N 2.85Å; F77-I80 PolarHBondContact O-N 2.85Å; I80-F82 VanDerWaalsContact C-N 3.3Å; I80-F82 PolarHBondContact O-N 2.91Å; I80-L83 PolarHBondContact O-N 2.94Å; I80-L84 HydrophobicContact CG2-CD1 4.31Å; I80-L84 WeakPolarHBondContact O-CG 3.33Å; I80-L84 PolarHBondContact O-N 2.9Å; I80-L84 VanDerWaalsContact O-N 3.1Å |
| 81 | G | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.1 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F77 A78 L79 L84 W85 | F77-G81 PolarHBondContact O-N 2.56Å; A78-G81 PolarHBondContact O-N 3.28Å; L79-G81 VanDerWaalsContact C-N 3.35Å; G81-L84 PolarHBondContact O-N 2.98Å; G81-W85 WeakPolarHBondContact O-CB 3.35Å; G81-W85 PolarHBondContact O-N 2.87Å |
| 82 | F | 93.6 | Very high | 94.1 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 178 | -179.4 | -97.7 | 0 | 0 | 0 | 112.6 | A78 L79 I80 L84 W85 S86 F405 F407 | A78-F82 VanDerWaalsContact O-CB 3.27Å; A78-F82 WeakPolarHBondContact O-CB 3.3Å; A78-F82 PolarHBondContact O-N 2.81Å; L79-F82 PolarHBondContact O-N 2.88Å; I80-F82 VanDerWaalsContact C-N 3.3Å; I80-F82 PolarHBondContact O-N 2.91Å; F82-L84 PolarHBondContact O-N 2.77Å; F82-W85 AromaticContact CD2-CE3 3.92Å; F82-W85 HydrophobicContact CD2-CE3 3.92Å; F82-W85 HydrophobicContact CD2-CZ3 4.24Å; F82-W85 HydrophobicContact CE2-CE3 4.01Å; F82-W85 AromaticContact CE2-CZ3 3.92Å; F82-W85 HydrophobicContact CE2-CZ3 3.92Å; F82-W85 PolarHBondContact O-N 2.96Å; F82-S86 VanDerWaalsContact O-CB 3.3Å; F82-S86 WeakPolarHBondContact O-CB 3.37Å; F82-S86 PolarHBondContact O-N 2.83Å; F82-F405 HydrophobicContact CE2-CE1 4.26Å; F82-F405 AromaticContact CE2-CZ 3.92Å; F82-F405 HydrophobicContact CE2-CZ 3.92Å; F82-F405 HydrophobicContact CZ-CE1 4.28Å; F82-F405 AromaticContact CZ-CZ 3.85Å; F82-F405 HydrophobicContact CZ-CZ 3.85Å; F82-F407 HydrophobicContact CE2-CE1 4.31Å |
| 83 | L | 94.3 | Very high | 93.9 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 60% | 0.597 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.1 | -32 | 176.5 | -69.9 | 173.4 | 0 | 0 | 0 | 112.3 | L79 I80 P87 | L79-L83 HydrophobicContact CG-CD1 4.47Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 2.96Å; I80-L83 PolarHBondContact O-N 2.94Å; L83-P87 WeakPolarHBondContact O-CD 3.29Å; L83-P87 WeakPolarHBondContact O-CG 3.5Å |
| 84 | L | 93.6 | Very high | 93.7 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -78.5 | -42.3 | 172.2 | -64.2 | 173.8 | 0 | 0 | 0 | 112 | F19 S20 L23 I80 G81 F82 L88 | F19-L84 HydrophobicContact CD1-CD1 4.05Å; F19-L84 HydrophobicContact CE1-CD1 3.91Å; S20-L84 WeakPolarHBondContact OG-CB 3.35Å; L23-L84 HydrophobicContact CD1-CD1 4.42Å; I80-L84 HydrophobicContact CG2-CD1 4.31Å; I80-L84 WeakPolarHBondContact O-CG 3.33Å; I80-L84 PolarHBondContact O-N 2.9Å; I80-L84 VanDerWaalsContact O-N 3.1Å; G81-L84 PolarHBondContact O-N 2.98Å; F82-L84 PolarHBondContact O-N 2.77Å; L84-L88 WeakPolarHBondContact O-CD1 3.22Å; L84-L88 VanDerWaalsContact O-CG 3.31Å; L84-L88 WeakPolarHBondContact O-CG 3.33Å |
| 85 | W | 93.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.3 | -42 | -174.3 | 175.4 | 82.2 | 0 | 0 | 0 | 113.3 | H17 W21 I24 G81 F82 L88 Q89 Y397 F405 | H17-W85 AromaticContact CD2-CD1 3.63Å; H17-W85 AromaticContact CD2-NE1 3.75Å; H17-W85 AromaticContact NE2-CD1 3.81Å; H17-W85 AromaticContact NE2-NE1 3.53Å; W21-W85 AromaticContact CD1-CD1 3.9Å; W21-W85 AromaticContact CD1-NE1 3.84Å; W21-W85 AromaticContact NE1-NE1 3.61Å; I24-W85 HydrophobicContact CD1-CB 3.7Å; I24-W85 HydrophobicContact CD1-CD2 4.41Å; I24-W85 HydrophobicContact CD1-CG 3.94Å; G81-W85 WeakPolarHBondContact O-CB 3.35Å; G81-W85 PolarHBondContact O-N 2.87Å; F82-W85 AromaticContact CD2-CE3 3.92Å; F82-W85 HydrophobicContact CD2-CE3 3.92Å; F82-W85 HydrophobicContact CD2-CZ3 4.24Å; F82-W85 HydrophobicContact CE2-CE3 4.01Å; F82-W85 AromaticContact CE2-CZ3 3.92Å; F82-W85 HydrophobicContact CE2-CZ3 3.92Å; F82-W85 PolarHBondContact O-N 2.96Å; W85-L88 WeakPolarHBondContact O-CB 2.95Å; W85-L88 PolarHBondContact O-N 3.39Å; W85-Q89 VanDerWaalsContact CD1-NE2 3.28Å; W85-Q89 HydrophobicContact CD2-CG 4.07Å; W85-Q89 VanDerWaalsContact CE2-CD 3.45Å; W85-Q89 VanDerWaalsContact CE2-NE2 3.31Å; W85-Q89 HydrophobicContact CE3-CG 4.32Å; W85-Q89 HydrophobicContact CH2-CG 3.94Å; W85-Q89 HydrophobicContact CZ2-CG 3.66Å; W85-Q89 HydrophobicContact CZ3-CG 4.28Å; W85-Q89 WeakPolarHBondContact O-CG 3.46Å; W85-Q89 PolarHBondContact O-N 3.38Å; W85-Q89 PolarHBondContact O-NE2 3.11Å; W85-Y397 HydrophobicContact CH2-CD1 4.36Å; W85-Y397 HydrophobicContact CZ2-CD1 4.11Å; W85-Y397 HydrophobicContact CZ2-CG 4.22Å; W85-F405 HydrophobicContact CH2-CZ 4.5Å; W85-F405 HydrophobicContact CZ3-CE1 4.45Å; W85-F405 AromaticContact CZ3-CZ 3.86Å; W85-F405 HydrophobicContact CZ3-CZ 3.86Å |
| 86 | S | 90.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -48.2 | -171.9 | 174.9 | 0 | 0 | 0 | 0 | 113.1 | F82 L88 Q89 | F82-S86 VanDerWaalsContact O-CB 3.3Å; F82-S86 WeakPolarHBondContact O-CB 3.37Å; F82-S86 PolarHBondContact O-N 2.83Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.94Å; S86-Q89 WeakPolarHBondContact O-CB 3.47Å; S86-Q89 PolarHBondContact O-N 3.12Å |
| 87 | P | 89.8 | Confident | 93.5 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.4 | -34.4 | 174.9 | -23.8 | 34.5 | 0 | 0 | 0 | 113.7 | L83 Q89 S90 | L83-P87 WeakPolarHBondContact O-CD 3.29Å; L83-P87 WeakPolarHBondContact O-CG 3.5Å; P87-Q89 PolarHBondContact O-N 3.04Å; P87-S90 WeakPolarHBondContact O-CB 3.28Å; P87-S90 PolarHBondContact O-N 2.8Å; P87-S90 VanDerWaalsContact O-N 3.15Å; P87-S90 PolarHBondContact O-OG 3.04Å |
| 88 | L | 90.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -31 | 178.8 | -62.7 | 170.9 | 0 | 0 | 0 | 112 | F8 L13 L16 H17 L84 W85 S86 S90 A91 R92 | F8-L88 HydrophobicContact CE1-CB 4.16Å; F8-L88 WeakPolarHBondContact CE1-O 3.39Å; F8-L88 HydrophobicContact CZ-CB 4.43Å; L13-L88 HydrophobicContact CD2-CD2 3.55Å; L16-L88 HydrophobicContact CB-CD1 4.28Å; L16-L88 HydrophobicContact CD2-CD2 3.97Å; L16-L88 HydrophobicContact CG-CD1 4.02Å; L16-L88 HydrophobicContact CG-CD2 4.32Å; H17-L88 HydrophobicContact CB-CD1 3.94Å; L84-L88 WeakPolarHBondContact O-CD1 3.22Å; L84-L88 VanDerWaalsContact O-CG 3.31Å; L84-L88 WeakPolarHBondContact O-CG 3.33Å; W85-L88 WeakPolarHBondContact O-CB 2.95Å; W85-L88 PolarHBondContact O-N 3.39Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.94Å; L88-S90 PolarHBondContact O-N 3.27Å; L88-S90 VanDerWaalsContact O-N 3.09Å; L88-A91 PolarHBondContact O-N 2.73Å; L88-R92 PolarHBondContact O-N 3.22Å |
| 89 | Q | 89.6 | Confident | 93.3 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.4 | -178.8 | -57.6 | -38.1 | -60.4 | 0 | 0 | 113.1 | W85 S86 P87 S398 | W85-Q89 VanDerWaalsContact CD1-NE2 3.28Å; W85-Q89 HydrophobicContact CD2-CG 4.07Å; W85-Q89 VanDerWaalsContact CE2-CD 3.45Å; W85-Q89 VanDerWaalsContact CE2-NE2 3.31Å; W85-Q89 HydrophobicContact CE3-CG 4.32Å; W85-Q89 HydrophobicContact CH2-CG 3.94Å; W85-Q89 HydrophobicContact CZ2-CG 3.66Å; W85-Q89 HydrophobicContact CZ3-CG 4.28Å; W85-Q89 WeakPolarHBondContact O-CG 3.46Å; W85-Q89 PolarHBondContact O-N 3.38Å; W85-Q89 PolarHBondContact O-NE2 3.11Å; S86-Q89 WeakPolarHBondContact O-CB 3.47Å; S86-Q89 PolarHBondContact O-N 3.12Å; P87-Q89 PolarHBondContact O-N 3.04Å; Q89-S398 VanDerWaalsContact C-OG 3.31Å; Q89-S398 PolarHBondContact O-OG 2.88Å |
| 90 | S | 86.3 | Confident | 92.8 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 51% | 0.51 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28.3 | 172.1 | 67.9 | 0 | 0 | 0 | 0 | 113.3 | P87 L88 H400 | P87-S90 WeakPolarHBondContact O-CB 3.28Å; P87-S90 PolarHBondContact O-N 2.8Å; P87-S90 VanDerWaalsContact O-N 3.15Å; P87-S90 PolarHBondContact O-OG 3.04Å; L88-S90 PolarHBondContact O-N 3.27Å; L88-S90 VanDerWaalsContact O-N 3.09Å; S90-H400 PolarHBondContact O-CE1 3.48Å; S90-H400 VanDerWaalsContact O-CE1 3.3Å |
| 91 | A | 90.4 | Very high | 91.2 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -97.5 | 1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P9 L13 L88 | P9-A91 WeakPolarHBondContact CD-O 3.36Å; L13-A91 HydrophobicContact CD1-CB 4.02Å; L88-A91 PolarHBondContact O-N 2.73Å |
| 92 | R | 91.1 | Very high | 89 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 8% | 0.075 | 30% | 0.298 | C | S | . | . | trans | -74.4 | 131.4 | -178.4 | -175.6 | 169.9 | 179.7 | 4.9 | -8.3 | 110.1 | P7 F8 L88 D393 | P7-R92 VanDerWaalsContact CB-NH1 3.26Å; F8-R92 HydrophobicContact CD1-CB 4.39Å; F8-R92 HydrophobicContact CE1-CB 3.72Å; F8-R92 HydrophobicContact CE1-CG 4.16Å; F8-R92 HydrophobicContact CZ-CB 4.19Å; F8-R92 HydrophobicContact CZ-CG 4.23Å; L88-R92 PolarHBondContact O-N 3.22Å; R92-D393 IonicContact CZ-OD2 2.73Å; R92-D393 IonicContact NH2-OD1 2.69Å; R92-D393 IonicContact NH2-OD2 3.76Å; R92-D393 PolarHBondContact NH2-OD2 2.69Å | ||
| 93 | R | 93.3 | Very high | 86.6 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | trans | -71 | 150.1 | 173.2 | -71.3 | 159.7 | 167.9 | -166.9 | -0.4 | 110.6 | Y4 S6 P7 Y95 | Y4-R93 HydrophobicContact CD1-CG 3.98Å; Y4-R93 HydrophobicContact CD2-CB 4.06Å; Y4-R93 HydrophobicContact CD2-CG 4.32Å; Y4-R93 HydrophobicContact CE1-CG 4.29Å; Y4-R93 HydrophobicContact CG-CB 4.02Å; Y4-R93 HydrophobicContact CG-CG 3.99Å; S6-R93 WeakPolarHBondContact O-CD 3.33Å; S6-R93 PolarHBondContact O-NH1 3.47Å; P7-R93 PolarHBondContact O-N 2.6Å; R93-Y95 VanDerWaalsContact C-N 3.25Å; R93-Y95 PolarHBondContact O-N 2.82Å | ||
| 94 | P | 93.4 | Very high | 84.1 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 21% | 0.208 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -72.9 | -11.7 | -170.7 | 28.2 | -36.2 | 0 | 0 | 0 | 114.8 | Y4 V394 G395 V396 Y425 | Y4-P94 HydrophobicContact CD2-CG 4.41Å; Y4-P94 HydrophobicContact CE2-CG 4.13Å; P94-V394 CarbonylContact O-C 3.58Å; P94-V394 VanDerWaalsContact O-CA 3.29Å; P94-V394 WeakPolarHBondContact O-CA 3.45Å; P94-G395 PolarHBondContact O-N 2.92Å; P94-V396 HydrophobicContact CB-CG1 4.48Å; P94-Y425 HydrophobicContact CB-CD1 4.12Å |
| 95 | Y | 95.8 | Very high | 81.3 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | trans | -160.5 | 172.9 | 178.5 | 58.5 | -100.9 | 0 | 0 | 0 | 110.8 | L3 Y4 R93 I391 A423 | L3-Y95 HydrophobicContact CD2-CE2 4.34Å; Y4-Y95 HydrophobicContact CD2-CD1 4.45Å; Y4-Y95 HydrophobicContact CD2-CD2 4.25Å; Y4-Y95 AromaticContact CD2-CE1 3.97Å; Y4-Y95 HydrophobicContact CD2-CE1 3.97Å; Y4-Y95 AromaticContact CD2-CE2 3.74Å; Y4-Y95 HydrophobicContact CD2-CE2 3.74Å; Y4-Y95 AromaticContact CD2-CZ 3.58Å; Y4-Y95 HydrophobicContact CE2-CE1 4.19Å; Y4-Y95 HydrophobicContact CG-CE2 4.35Å; R93-Y95 VanDerWaalsContact C-N 3.25Å; R93-Y95 PolarHBondContact O-N 2.82Å; Y95-I391 HydrophobicContact CD2-CD1 4.42Å; Y95-I391 HydrophobicContact CD2-CG2 4.05Å; Y95-I391 HydrophobicContact CE2-CD1 4.38Å; Y95-I391 HydrophobicContact CG-CG2 4.05Å; Y95-A423 HydrophobicContact CE1-CB 4.06Å; Y95-A423 WeakPolarHBondContact CE1-O 3.41Å; Y95-A423 HydrophobicContact CE2-CB 4.28Å; Y95-A423 PolarHBondContact OH-O 2.89Å | ||
| 96 | I | 96.3 | Very high | 78.6 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.9 | 170.5 | -52.9 | 172 | 0 | 0 | 0 | 108.9 | Y4 P7 I391 Y392 D393 | Y4-I96 CarbonylContact O-C 3.11Å; Y4-I96 WeakPolarHBondContact O-CA 3.44Å; P7-I96 HydrophobicContact CB-CD1 4Å; P7-I96 HydrophobicContact CB-CG1 4.24Å; P7-I96 HydrophobicContact CG-CD1 4.19Å; I96-I391 CarbonylContact O-C 3.59Å; I96-I391 WeakPolarHBondContact O-CA 3.39Å; I96-Y392 HydrophobicContact CB-CD1 4.02Å; I96-Y392 HydrophobicContact CB-CE1 3.65Å; I96-Y392 HydrophobicContact CD1-CE1 4.43Å; I96-Y392 HydrophobicContact CD1-CE2 4.19Å; I96-Y392 HydrophobicContact CG2-CD1 4.27Å; I96-Y392 HydrophobicContact CG2-CE1 3.49Å; I96-Y392 VanDerWaalsContact CG2-CE1 3.49Å; I96-Y392 PolarHBondContact N-O 2.91Å; I96-Y392 WeakPolarHBondContact O-CD1 3.48Å; I96-Y392 PolarHBondContact O-N 3.18Å; I96-D393 HydrophobicContact CD1-CB 3.95Å; I96-D393 HydrophobicContact CG1-CB 4.33Å |
| 97 | Y | 97.1 | Very high | 75.8 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 12% | 0.118 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.7 | 169.9 | 169.5 | -111.5 | 0 | 0 | 0 | 109.4 | L3 Y4 T5 R99 Y389 I391 I420 | L3-Y97 HydrophobicContact CB-CD1 3.89Å; L3-Y97 HydrophobicContact CB-CE1 4.47Å; L3-Y97 HydrophobicContact CB-CG 4.04Å; L3-Y97 HydrophobicContact CD1-CD1 4.17Å; L3-Y97 HydrophobicContact CD1-CD2 4.18Å; L3-Y97 HydrophobicContact CD1-CE1 4.1Å; L3-Y97 HydrophobicContact CD1-CE2 4.1Å; L3-Y97 HydrophobicContact CD1-CG 4.2Å; Y4-Y97 PolarHBondContact O-N 3.02Å; T5-Y97 WeakPolarHBondContact CA-O 3.45Å; T5-Y97 HydrophobicContact CG2-CD1 3.96Å; Y97-R99 HydrophobicContact CE1-CB 4.29Å; Y97-Y389 HydrophobicContact CE2-CD1 4.07Å; Y97-Y389 WeakPolarHBondContact OH-CD1 3.33Å; Y97-I391 HydrophobicContact CD2-CG1 4.11Å; Y97-I420 HydrophobicContact CD2-CD1 4.27Å; Y97-I420 HydrophobicContact CE2-CB 4.37Å; Y97-I420 HydrophobicContact CE2-CD1 4.19Å |
| 98 | S | 96.3 | Very high | 73.1 | Confident | 24 Ų | 24 | 79.9 Ų | 79.9 | 17% | 0.168 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.5 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | H384 I390 | S98-H384 PolarHBondContact OG-NE2 3.32Å; S98-I390 PolarHBondContact N-O 3.26Å; S98-I390 PolarHBondContact O-N 2.83Å |
| 99 | R | 93.3 | Very high | 70.5 | Confident | 132 Ų | 132 | 83.6 Ų | 83.6 | 50% | 0.498 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138.4 | 170.4 | -172.7 | -178.8 | -178.3 | -178.8 | 1.2 | 108.6 | Y97 E101 E388 Y389 | Y97-R99 HydrophobicContact CE1-CB 4.29Å; R99-E101 PolarHBondContact O-N 3.4Å; R99-E101 VanDerWaalsContact O-N 3.12Å; R99-E388 WeakPolarHBondContact CA-O 3.43Å; R99-E388 HydrophobicContact CG-CG 4.23Å; R99-E388 IonicContact CZ-OE1 3.79Å; R99-E388 VanDerWaalsContact CZ-OE1 3.28Å; R99-E388 IonicContact NE-OE1 2.64Å; R99-E388 PolarHBondContact NE-OE1 3.34Å; R99-E388 IonicContact NH2-OE1 3.76Å; R99-E388 PolarHBondContact NH2-OE1 2.86Å; R99-Y389 HydrophobicContact CG-CD1 4.1Å; R99-Y389 HydrophobicContact CG-CE1 3.99Å; R99-Y389 PolarHBondContact NH2-OH 3.07Å |
| 100 | L | 86.6 | Confident | 68.2 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | trans | -67.9 | 106.6 | 168.6 | -170.5 | 68.6 | 0 | 0 | 0 | 108.6 | H384 E388 | L100-H384 HydrophobicContact CD1-CB 4.27Å; L100-E388 HydrophobicContact CB-CG 4.43Å; L100-E388 PolarHBondContact N-O 3.08Å | ||
| 101 | E | 62.9 | Low | 66.2 | Low | 149 Ų | 149 | 93.2 Ų | 93.2 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | trans | -83 | 126.3 | 169.1 | -72.6 | -177 | 167.9 | 0 | 0 | 108.9 | R99 K103 | R99-E101 PolarHBondContact O-N 3.4Å; R99-E101 VanDerWaalsContact O-N 3.12Å; E101-K103 VanDerWaalsContact C-N 3.29Å; E101-K103 PolarHBondContact O-N 3.05Å | ||
| 102 | D | 51.8 | Low | 64.7 | Low | 149 Ų | 149 | 93.7 Ų | 93.7 | 80% | 0.797 | 50% | 0.5 | S | S | * | . | trans | -59.1 | 84.7 | 177 | -89.3 | -29.7 | 0 | 0 | 0 | 111.5 | S104 | D102-S104 PolarHBondContact O-N 3.18Š| ||
| 103 | K | 43.4 | Very low | 63.2 | Low | 178 Ų | 178 | 98.4 Ų | 98.4 | 77% | 0.774 | 53% | 0.531 | S | S | * | . | trans | -88.8 | 94.8 | 161.2 | -70.9 | -174.6 | -178.8 | 176.7 | 0 | 107 | E101 | E101-K103 VanDerWaalsContact C-N 3.29Å; E101-K103 PolarHBondContact O-N 3.05Å | ||
| 104 | S | 39.8 | Very low | 62.1 | Low | 102 Ų | 102 | 99.6 Ų | 99.6 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 60.1 | 90.1 | 171.7 | 58.7 | 0 | 0 | 0 | 0 | 116 | D102 | D102-S104 PolarHBondContact O-N 3.18Š|
| 105 | H | 36.2 | Very low | 61.6 | Low | 147 Ų | 147 | 99 Ų | 99 | 68% | 0.681 | 53% | 0.533 | S | S | * | . | -177.3 | 110.6 | 116.2 | -96.9 | -71.2 | 0 | 0 | 0 | 109 | N107 | H105-N107 PolarHBondContact O-N 3.5Š| |||
| 106 | A | 35.3 | Very low | 61 | Low | 109 Ų | 109 | 103 Ų | 103 | 90% | 0.901 | 55% | 0.551 | S | S | * | * | trans | -68.1 | 64.7 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 107 | N | 31.6 | Very low | 60.1 | Low | 122 Ų | 122 | 103.3 Ų | 103.3 | 65% | 0.652 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -133.5 | 89.4 | 168.3 | -84.7 | -12 | 0 | 0 | 0 | 107.7 | H105 A109 | H105-N107 PolarHBondContact O-N 3.5Å; N107-A109 VanDerWaalsContact C-N 3.34Å; N107-A109 PolarHBondContact O-N 2.82Å |
| 108 | E | 33 | Very low | 58.6 | Low | 195 Ų | 195 | 105.6 Ų | 105.6 | 91% | 0.911 | 58% | 0.579 | S | S | * | * | trans | 36.5 | 51.8 | 148.2 | -66.8 | 178.1 | 144.6 | 0 | 0 | 116.9 | T110 | E108-T110 PolarHBondContact O-N 3.35Å; E108-T110 VanDerWaalsContact O-N 3.1Å | ||
| 109 | A | 37.2 | Very low | 57.3 | Low | 89 Ų | 89 | 105.6 Ų | 105.6 | 74% | 0.736 | 58% | 0.584 | S | S | * | * | trans | -66.7 | 108.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | N107 L111 | N107-A109 VanDerWaalsContact C-N 3.34Å; N107-A109 PolarHBondContact O-N 2.82Å; A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 3.29Å | ||
| 110 | T | 41.6 | Very low | 56.1 | Low | 123 Ų | 123 | 106 Ų | 106 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | trans | -44.7 | 93.1 | -179.9 | -35.5 | 0 | 0 | 0 | 0 | 109.6 | E108 L112 | E108-T110 PolarHBondContact O-N 3.35Å; E108-T110 VanDerWaalsContact O-N 3.1Å; T110-L112 PolarHBondContact O-N 3.27Å | ||
| 111 | L | 44.4 | Very low | 56 | Low | 156 Ų | 156 | 103.3 Ų | 103.3 | 82% | 0.817 | 59% | 0.588 | S | S | * | * | trans | -49 | 113.5 | 170.2 | -95.5 | 163.1 | 0 | 0 | 0 | 104.7 | A109 T113 | A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 3.29Å; L111-T113 PolarHBondContact O-N 3.23Å | ||
| 112 | L | 58.1 | Low | 57.4 | Low | 49 Ų | 49 | 99.1 Ų | 99.1 | 26% | 0.257 | 57% | 0.567 | S | S | . | * | trans | -46.6 | 113.6 | 174 | -91.9 | 172.2 | 0 | 0 | 0 | 105.9 | T110 E114 R417 Y418 | T110-L112 PolarHBondContact O-N 3.27Å; L112-E114 PolarHBondContact O-N 3.19Å; L112-R417 HydrophobicContact CD1-CB 3.48Å; L112-R417 VanDerWaalsContact CD1-CB 3.48Å; L112-R417 WeakPolarHBondContact CD1-O 3.3Å; L112-Y418 HydrophobicContact CD1-CD1 4.49Å; L112-Y418 HydrophobicContact CD1-CD2 4.46Å; L112-Y418 HydrophobicContact CD1-CE1 4.2Å; L112-Y418 HydrophobicContact CD1-CE2 4.13Å | ||
| 113 | T | 58.9 | Low | 59.4 | Low | 119 Ų | 119 | 93.3 Ų | 93.3 | 73% | 0.73 | 54% | 0.538 | S | S | * | . | trans | -56.6 | 112 | -179.6 | -40.2 | 0 | 0 | 0 | 0 | 105.9 | L111 W115 | L111-T113 PolarHBondContact O-N 3.23Å; T113-W115 PolarHBondContact O-N 2.98Å; T113-W115 VanDerWaalsContact O-N 3.11Å | ||
| 114 | E | 71.3 | Confident | 61.9 | Low | 90 Ų | 90 | 84.8 Ų | 84.8 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | trans | -51.9 | 122.6 | -176.2 | -172.8 | -179.2 | -164.3 | 0 | 0 | 107.5 | L112 K116 | L112-E114 PolarHBondContact O-N 3.19Å; E114-K116 VanDerWaalsContact CD-NZ 3.31Å; E114-K116 PolarHBondContact O-N 2.88Å; E114-K116 IonicContact OE1-NZ 3.07Å; E114-K116 VanDerWaalsContact OE2-CE 3.31Å; E114-K116 WeakPolarHBondContact OE2-CE 3.4Å; E114-K116 IonicContact OE2-NZ 3.53Å; E114-K116 PolarHBondContact OE2-NZ 2.73Å | ||
| 115 | W | 83.4 | Confident | 64.7 | Low | 21 Ų | 21 | 80 Ų | 80 | 8% | 0.08 | 47% | 0.468 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 114.1 | -177.2 | 175.5 | 38.8 | 0 | 0 | 0 | 108.4 | T113 A117 K122 F124 V449 G450 S451 I458 A508 W627 V655 T657 | T113-W115 PolarHBondContact O-N 2.98Å; T113-W115 VanDerWaalsContact O-N 3.11Å; W115-A117 HydrophobicContact CZ2-CB 4.27Å; W115-K122 HydrophobicContact CB-CD 4.48Å; W115-K122 HydrophobicContact CB-CG 4.48Å; W115-K122 HydrophobicContact CD2-CB 3.6Å; W115-K122 HydrophobicContact CD2-CG 3.95Å; W115-K122 HydrophobicContact CE3-CB 4.1Å; W115-K122 HydrophobicContact CE3-CG 4.28Å; W115-K122 HydrophobicContact CG-CB 3.97Å; W115-K122 HydrophobicContact CG-CD 4.26Å; W115-K122 HydrophobicContact CG-CG 4.03Å; W115-K122 HydrophobicContact CH2-CB 4.19Å; W115-K122 HydrophobicContact CZ2-CB 3.72Å; W115-K122 HydrophobicContact CZ3-CB 4.34Å; W115-F124 HydrophobicContact CD2-CZ 4.46Å; W115-F124 HydrophobicContact CE3-CE2 4.08Å; W115-F124 AromaticContact CE3-CZ 3.58Å; W115-F124 HydrophobicContact CE3-CZ 3.58Å; W115-F124 HydrophobicContact CH2-CE2 4.33Å; W115-F124 AromaticContact CZ3-CE2 3.7Å; W115-F124 HydrophobicContact CZ3-CE2 3.7Å; W115-F124 AromaticContact CZ3-CZ 3.66Å; W115-F124 HydrophobicContact CZ3-CZ 3.66Å; W115-V449 HydrophobicContact CE3-CG2 4.27Å; W115-V449 HydrophobicContact CZ3-CG2 4.34Å; W115-G450 CarbonylContact O-C 3.54Å; W115-G450 WeakPolarHBondContact O-CA 3.47Å; W115-S451 PolarHBondContact O-N 2.88Å; W115-I458 HydrophobicContact CD2-CD1 4.16Å; W115-I458 HydrophobicContact CE3-CD1 3.85Å; W115-I458 HydrophobicContact CE3-CG2 4.06Å; W115-I458 HydrophobicContact CH2-CG2 4.48Å; W115-I458 HydrophobicContact CZ3-CD1 4.11Å; W115-I458 HydrophobicContact CZ3-CG2 3.64Å; W115-A508 HydrophobicContact CZ3-CB 4.04Å; W115-W627 HydrophobicContact CH2-CE3 4.25Å; W115-W627 AromaticContact CH2-CH2 3.97Å; W115-W627 HydrophobicContact CH2-CH2 3.97Å; W115-W627 AromaticContact CH2-CZ3 3.82Å; W115-W627 HydrophobicContact CH2-CZ3 3.82Å; W115-W627 HydrophobicContact CZ3-CH2 4.3Å; W115-W627 HydrophobicContact CZ3-CZ3 4.14Å; W115-V655 HydrophobicContact CH2-CB 4.07Å; W115-V655 HydrophobicContact CH2-CG1 3.83Å; W115-T657 HydrophobicContact CZ2-CG2 4.39Å |
| 116 | K | 82.3 | Confident | 67.7 | Low | 87 Ų | 87 | 73.2 Ų | 73.2 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | trans | -89.9 | 4.7 | -177.7 | -68.8 | -64.3 | 176.5 | -169.2 | 0 | 114.8 | E114 A118 S451 P453 | E114-K116 VanDerWaalsContact CD-NZ 3.31Å; E114-K116 PolarHBondContact O-N 2.88Å; E114-K116 IonicContact OE1-NZ 3.07Å; E114-K116 VanDerWaalsContact OE2-CE 3.31Å; E114-K116 WeakPolarHBondContact OE2-CE 3.4Å; E114-K116 IonicContact OE2-NZ 3.53Å; E114-K116 PolarHBondContact OE2-NZ 2.73Å; K116-A118 PolarHBondContact O-N 3.27Å; K116-S451 CarbonylContact C-O 3.4Å; K116-S451 WeakPolarHBondContact CA-O 3.1Å; K116-S451 WeakPolarHBondContact CD-OG 3.31Å; K116-S451 PolarHBondContact NZ-OG 3.48Å; K116-P453 WeakPolarHBondContact O-CD 3.49Å | ||
| 117 | A | 78 | Confident | 70.7 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 14% | 0.14 | 39% | 0.394 | C | S | . | . | trans | 46.4 | 27.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | W115 T452 I458 W627 T657 | W115-A117 HydrophobicContact CZ2-CB 4.27Å; A117-T452 HydrophobicContact CB-CG2 4.46Å; A117-I458 HydrophobicContact CB-CD1 3.61Å; A117-W627 HydrophobicContact CB-CZ2 4.09Å; A117-T657 HydrophobicContact CB-CG2 4.44Å | ||
| 118 | A | 64.4 | Low | 73.9 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | trans | -103.3 | 32.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K116 P453 | K116-A118 PolarHBondContact O-N 3.27Å; A118-P453 HydrophobicContact CB-CG 4.01Å | ||
| 119 | G | 69.6 | Low | 77 | Confident | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -175.2 | -165.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G121 T657 | G119-G121 PolarHBondContact O-N 2.9Å; G119-T657 PolarHBondContact O-OG1 3.42Å |
| 120 | N | 69.3 | Low | 79.9 | Confident | 140 Ų | 140 | 48.8 Ų | 48.8 | 75% | 0.749 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -60.5 | 10.9 | -164.4 | -57.7 | 27.3 | 0 | 0 | 0 | 118.1 | ||
| 121 | G | 84 | Confident | 82.6 | Confident | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | trans | 110.3 | -177.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G119 V655 | G119-G121 PolarHBondContact O-N 2.9Å; G121-V655 CarbonylContact C-O 3.59Å; G121-V655 WeakPolarHBondContact CA-O 3.31Å | ||
| 122 | K | 91.8 | Very high | 85.1 | Confident | 61 Ų | 61 | 35.5 Ų | 35.5 | 27% | 0.265 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 132.1 | -178.8 | -177.3 | 71.5 | -179.4 | -175.9 | 0 | 110.5 | W115 F124 V655 | W115-K122 HydrophobicContact CB-CD 4.48Å; W115-K122 HydrophobicContact CB-CG 4.48Å; W115-K122 HydrophobicContact CD2-CB 3.6Å; W115-K122 HydrophobicContact CD2-CG 3.95Å; W115-K122 HydrophobicContact CE3-CB 4.1Å; W115-K122 HydrophobicContact CE3-CG 4.28Å; W115-K122 HydrophobicContact CG-CB 3.97Å; W115-K122 HydrophobicContact CG-CD 4.26Å; W115-K122 HydrophobicContact CG-CG 4.03Å; W115-K122 HydrophobicContact CH2-CB 4.19Å; W115-K122 HydrophobicContact CZ2-CB 3.72Å; W115-K122 HydrophobicContact CZ3-CB 4.34Å; K122-F124 HydrophobicContact CB-CE2 4.05Å; K122-F124 HydrophobicContact CB-CZ 4.22Å; K122-F124 HydrophobicContact CG-CD2 4.45Å; K122-F124 HydrophobicContact CG-CE1 4.04Å; K122-F124 HydrophobicContact CG-CE2 3.82Å; K122-F124 HydrophobicContact CG-CZ 3.59Å; K122-V655 PolarHBondContact N-O 3.16Å; K122-V655 PolarHBondContact O-N 2.66Å |
| 123 | S | 93.6 | Very high | 86.9 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 136.1 | 169.6 | -52 | 0 | 0 | 0 | 0 | 111.3 | E632 L653 M654 | S123-E632 WeakPolarHBondContact CB-OE2 3.18Å; S123-E632 PolarHBondContact OG-OE2 2.66Å; S123-L653 CarbonylContact C-O 3.59Å; S123-L653 VanDerWaalsContact CA-O 3.23Å; S123-L653 WeakPolarHBondContact CA-O 3.47Å; S123-M654 WeakPolarHBondContact OG-CE 3.24Å |
| 124 | F | 96.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.9 | 171.9 | -64.6 | -77.1 | 0 | 0 | 0 | 110.3 | W115 K122 F126 D363 F364 Y418 V449 A508 F509 R652 L653 V655 | W115-F124 HydrophobicContact CD2-CZ 4.46Å; W115-F124 HydrophobicContact CE3-CE2 4.08Å; W115-F124 AromaticContact CE3-CZ 3.58Å; W115-F124 HydrophobicContact CE3-CZ 3.58Å; W115-F124 HydrophobicContact CH2-CE2 4.33Å; W115-F124 AromaticContact CZ3-CE2 3.7Å; W115-F124 HydrophobicContact CZ3-CE2 3.7Å; W115-F124 AromaticContact CZ3-CZ 3.66Å; W115-F124 HydrophobicContact CZ3-CZ 3.66Å; K122-F124 HydrophobicContact CB-CE2 4.05Å; K122-F124 HydrophobicContact CB-CZ 4.22Å; K122-F124 HydrophobicContact CG-CD2 4.45Å; K122-F124 HydrophobicContact CG-CE1 4.04Å; K122-F124 HydrophobicContact CG-CE2 3.82Å; K122-F124 HydrophobicContact CG-CZ 3.59Å; F124-F126 HydrophobicContact CB-CE2 3.66Å; F124-F126 HydrophobicContact CB-CZ 3.84Å; F124-F126 WeakPolarHBondContact O-CE2 3.42Å; F124-D363 WeakPolarHBondContact CA-OD2 3.07Å; F124-F364 HydrophobicContact CB-CE2 4.28Å; F124-F364 HydrophobicContact CD1-CE2 4.04Å; F124-F364 HydrophobicContact CD1-CZ 4.5Å; F124-Y418 HydrophobicContact CD1-CE2 4.21Å; F124-Y418 HydrophobicContact CE1-CE2 4.14Å; F124-Y418 AromaticContact CE1-CZ 3.97Å; F124-V449 HydrophobicContact CE1-CB 3.65Å; F124-V449 HydrophobicContact CE1-CG1 3.9Å; F124-V449 HydrophobicContact CE1-CG2 4.18Å; F124-V449 HydrophobicContact CZ-CB 3.79Å; F124-V449 HydrophobicContact CZ-CG1 4.36Å; F124-V449 HydrophobicContact CZ-CG2 3.8Å; F124-A508 HydrophobicContact CE2-CB 4.45Å; F124-F509 HydrophobicContact CB-CD1 4.37Å; F124-F509 HydrophobicContact CB-CE1 4.14Å; F124-F509 AromaticContact CD1-CE1 3.79Å; F124-F509 HydrophobicContact CD1-CE1 3.79Å; F124-F509 AromaticContact CD2-CD1 3.67Å; F124-F509 HydrophobicContact CD2-CD1 3.67Å; F124-F509 AromaticContact CD2-CE1 3.66Å; F124-F509 HydrophobicContact CD2-CE1 3.66Å; F124-F509 HydrophobicContact CE1-CE1 4.07Å; F124-F509 HydrophobicContact CE2-CD1 4.06Å; F124-F509 AromaticContact CE2-CE1 3.94Å; F124-F509 HydrophobicContact CE2-CE1 3.94Å; F124-F509 AromaticContact CG-CD1 3.96Å; F124-F509 HydrophobicContact CG-CD1 3.96Å; F124-F509 AromaticContact CG-CE1 3.57Å; F124-F509 HydrophobicContact CG-CE1 3.57Å; F124-F509 HydrophobicContact CZ-CE1 4.12Å; F124-R652 CarbonylContact O-C 2.93Å; F124-R652 VanDerWaalsContact O-CA 3.31Å; F124-R652 WeakPolarHBondContact O-CA 3.31Å; F124-L653 PolarHBondContact N-O 3.38Å; F124-L653 PolarHBondContact O-N 3.33Å; F124-V655 HydrophobicContact CD2-CG2 3.77Å; F124-V655 HydrophobicContact CE2-CB 4.4Å; F124-V655 HydrophobicContact CE2-CG2 3.87Å |
| 125 | C | 97.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.8 | -177.2 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | P359 N361 L362 D363 F364 | C125-P359 WeakPolarHBondContact SG-CG 3.3Å; C125-N361 VanDerWaalsContact CB-O 3.3Å; C125-N361 WeakPolarHBondContact CB-O 3.37Å; C125-L362 HydrophobicContact CB-CD1 4.44Å; C125-D363 PolarHBondContact N-OD2 3.04Å; C125-D363 WeakPolarHBondContact O-CA 3.08Å; C125-D363 WeakPolarHBondContact O-CB 3.3Å; C125-D363 PolarHBondContact O-N 2.93Å; C125-F364 PolarHBondContact O-N 3.34Å |
| 126 | F | 98.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 2% | 0.022 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.7 | -177.2 | -54 | -94.6 | 0 | 0 | 0 | 109.7 | F124 F364 I462 F509 V511 M616 A650 M651 L653 | F124-F126 HydrophobicContact CB-CE2 3.66Å; F124-F126 HydrophobicContact CB-CZ 3.84Å; F124-F126 WeakPolarHBondContact O-CE2 3.42Å; F126-F364 CarbonylContact C-O 3.49Å; F126-F364 WeakPolarHBondContact CA-O 3.22Å; F126-F364 HydrophobicContact CD1-CB 3.9Å; F126-F364 AromaticContact CD1-CD2 3.54Å; F126-F364 HydrophobicContact CD1-CD2 3.54Å; F126-F364 HydrophobicContact CD1-CE2 4.45Å; F126-F364 HydrophobicContact CD1-CG 4.04Å; F126-F364 HydrophobicContact CE1-CB 4.4Å; F126-F364 AromaticContact CE1-CD2 3.28Å; F126-F364 HydrophobicContact CE1-CD2 3.28Å; F126-F364 AromaticContact CE1-CE2 3.78Å; F126-F364 HydrophobicContact CE1-CE2 3.78Å; F126-F364 HydrophobicContact CE1-CG 4.04Å; F126-F364 HydrophobicContact CG-CD2 4.3Å; F126-F364 AromaticContact CZ-CD2 3.86Å; F126-F364 HydrophobicContact CZ-CD2 3.86Å; F126-F364 HydrophobicContact CZ-CE2 4.01Å; F126-I462 HydrophobicContact CD1-CD1 4.36Å; F126-I462 HydrophobicContact CE1-CD1 3.97Å; F126-I462 HydrophobicContact CE1-CG1 4.06Å; F126-F509 AromaticContact CE1-CD2 3.86Å; F126-F509 HydrophobicContact CE1-CD2 3.86Å; F126-F509 AromaticContact CE1-CE2 3.64Å; F126-F509 HydrophobicContact CE1-CE2 3.64Å; F126-F509 HydrophobicContact CE1-CZ 4.13Å; F126-F509 HydrophobicContact CZ-CD1 4.05Å; F126-F509 AromaticContact CZ-CD2 3.59Å; F126-F509 HydrophobicContact CZ-CD2 3.59Å; F126-F509 HydrophobicContact CZ-CE1 4.11Å; F126-F509 AromaticContact CZ-CE2 3.66Å; F126-F509 HydrophobicContact CZ-CE2 3.66Å; F126-F509 AromaticContact CZ-CG 3.8Å; F126-F509 HydrophobicContact CZ-CG 3.8Å; F126-F509 AromaticContact CZ-CZ 3.92Å; F126-F509 HydrophobicContact CZ-CZ 3.92Å; F126-V511 HydrophobicContact CD1-CB 4.29Å; F126-V511 HydrophobicContact CD1-CG1 4.04Å; F126-V511 HydrophobicContact CD1-CG2 4.17Å; F126-V511 HydrophobicContact CD2-CG2 4.46Å; F126-V511 HydrophobicContact CE1-CB 4.2Å; F126-V511 HydrophobicContact CE1-CG1 4.45Å; F126-V511 HydrophobicContact CE1-CG2 3.83Å; F126-V511 HydrophobicContact CE2-CG2 4.16Å; F126-V511 HydrophobicContact CG-CG1 4.32Å; F126-V511 HydrophobicContact CG-CG2 4.48Å; F126-V511 HydrophobicContact CZ-CG2 3.84Å; F126-M616 HydrophobicContact CB-CE 4.08Å; F126-M616 HydrophobicContact CB-SD 3.79Å; F126-A650 CarbonylContact O-C 3.52Å; F126-A650 WeakPolarHBondContact O-CA 3.49Å; F126-A650 WeakPolarHBondContact O-CB 3.36Å; F126-M651 PolarHBondContact N-O 2.96Å; F126-M651 PolarHBondContact O-N 2.86Å; F126-L653 HydrophobicContact CD2-CD1 4.44Å; F126-L653 HydrophobicContact CD2-CG 4.37Å; F126-L653 HydrophobicContact CE2-CB 4.13Å; F126-L653 HydrophobicContact CE2-CD1 3.8Å; F126-L653 HydrophobicContact CE2-CG 3.96Å; F126-L653 HydrophobicContact CZ-CD1 4.38Å |
| 127 | G | 98.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F364 L365 C366 V649 | G127-F364 PolarHBondContact N-O 2.9Å; G127-L365 CarbonylContact O-C 3.48Å; G127-L365 WeakPolarHBondContact O-CA 3.36Å; G127-C366 PolarHBondContact O-N 3.18Å; G127-V649 CarbonylContact C-O 3.54Å; G127-V649 WeakPolarHBondContact CA-O 3.28Å |
| 128 | S | 98.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.3 | 172 | -169.8 | 0 | 0 | 0 | 0 | 111 | C366 Q368 P648 V649 | S128-C366 CarbonylContact C-O 3.55Å; S128-C366 WeakPolarHBondContact CA-O 3.46Å; S128-C366 PolarHBondContact OG-O 3.26Å; S128-Q368 PolarHBondContact OG-NE2 3.19Å; S128-Q368 VanDerWaalsContact OG-NE2 3.07Å; S128-Q368 PolarHBondContact OG-OE1 2.92Å; S128-P648 CarbonylContact O-C 3.51Å; S128-P648 WeakPolarHBondContact O-CA 3.39Å; S128-P648 WeakPolarHBondContact O-CB 3.44Å; S128-V649 PolarHBondContact N-O 3.44Å; S128-V649 PolarHBondContact O-N 3.46Å |
| 129 | A | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 129.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V131 C366 L367 Q368 L640 P648 | A129-V131 HydrophobicContact CB-CG1 4.07Å; A129-C366 PolarHBondContact N-O 2.78Å; A129-L367 HydrophobicContact CB-CD2 3.75Å; A129-L367 CarbonylContact O-C 3.56Å; A129-L367 VanDerWaalsContact O-CA 3.27Å; A129-L367 WeakPolarHBondContact O-CA 3.4Å; A129-Q368 PolarHBondContact O-N 2.91Å; A129-Q368 PolarHBondContact O-OE1 2.91Å; A129-L640 HydrophobicContact CB-CD1 4.5Å; A129-P648 HydrophobicContact CB-CB 3.71Å; A129-P648 HydrophobicContact CB-CG 3.72Å |
| 130 | N | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 119.8 | 159.4 | -172.2 | -21 | 0 | 0 | 0 | 109.1 | C132 Q368 E369 D515 T644 H646 | N130-C132 PolarHBondContact OD1-N 2.95Å; N130-C132 PolarHBondContact OD1-SG 3.11Å; N130-Q368 HydrophobicContact CB-CB 4.19Å; N130-E369 VanDerWaalsContact ND2-CD 3.28Å; N130-E369 WeakPolarHBondContact ND2-CG 3.23Å; N130-E369 PolarHBondContact ND2-OE1 3.29Å; N130-E369 VanDerWaalsContact OD1-CB 3.26Å; N130-E369 WeakPolarHBondContact OD1-CB 3.16Å; N130-E369 WeakPolarHBondContact OD1-CG 3.08Å; N130-D515 PolarHBondContact ND2-OD2 3.11Å; N130-T644 PolarHBondContact O-OG1 3.26Å; N130-H646 HydrophobicContact CB-CB 3.91Å |
| 131 | V | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -108.7 | -0.9 | -171.2 | -64.9 | 0 | 0 | 0 | 0 | 114.2 | A129 L133 R150 I154 L367 Q368 V370 L640 | A129-V131 HydrophobicContact CB-CG1 4.07Å; V131-L133 VanDerWaalsContact C-N 3.27Å; V131-L133 HydrophobicContact CB-CG 4.26Å; V131-L133 HydrophobicContact CG2-CB 4.39Å; V131-L133 HydrophobicContact CG2-CD1 3.85Å; V131-L133 HydrophobicContact CG2-CG 3.8Å; V131-L133 PolarHBondContact O-N 3.34Å; V131-L133 VanDerWaalsContact O-N 3.14Å; V131-R150 PolarHBondContact O-NH2 3.22Å; V131-I154 HydrophobicContact CB-CD1 4.13Å; V131-I154 HydrophobicContact CG1-CG2 3.99Å; V131-L367 HydrophobicContact CG1-CD2 4.05Å; V131-Q368 VanDerWaalsContact CG2-O 3.28Å; V131-Q368 WeakPolarHBondContact CG2-O 3.42Å; V131-Q368 PolarHBondContact N-O 2.82Å; V131-V370 HydrophobicContact CG2-CG2 3.69Å; V131-L640 HydrophobicContact CG1-CD1 4.33Å | ||
| 132 | C | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | 44.3 | 48.5 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 114 | N130 L134 N142 V144 R150 E369 D645 | N130-C132 PolarHBondContact OD1-N 2.95Å; N130-C132 PolarHBondContact OD1-SG 3.11Å; C132-L134 HydrophobicContact CB-CD1 3.93Å; C132-L134 PolarHBondContact O-N 3.3Å; C132-N142 PolarHBondContact SG-ND2 3.08Å; C132-N142 VanDerWaalsContact SG-ND2 3.41Å; C132-V144 HydrophobicContact CB-CG2 4.25Å; C132-R150 PolarHBondContact O-NH1 3.25Å; C132-R150 PolarHBondContact O-NH2 3.43Å; C132-E369 WeakPolarHBondContact CA-OE2 3.36Å; C132-E369 PolarHBondContact SG-OE2 2.87Å; C132-D645 PolarHBondContact SG-OD1 3.2Å | ||
| 133 | L | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -90.5 | 57.9 | 176.6 | -66.4 | 179.3 | 0 | 0 | 0 | 110.4 | V131 T147 R150 A151 I154 E369 V370 F371 D372 A375 L379 | V131-L133 VanDerWaalsContact C-N 3.27Å; V131-L133 HydrophobicContact CB-CG 4.26Å; V131-L133 HydrophobicContact CG2-CB 4.39Å; V131-L133 HydrophobicContact CG2-CD1 3.85Å; V131-L133 HydrophobicContact CG2-CG 3.8Å; V131-L133 PolarHBondContact O-N 3.34Å; V131-L133 VanDerWaalsContact O-N 3.14Å; L133-T147 HydrophobicContact CB-CG2 4.09Å; L133-T147 HydrophobicContact CD2-CG2 3.93Å; L133-R150 HydrophobicContact CD2-CB 4.24Å; L133-A151 HydrophobicContact CD1-CB 3.82Å; L133-A151 HydrophobicContact CD2-CB 3.94Å; L133-I154 HydrophobicContact CD2-CD1 4.15Å; L133-E369 CarbonylContact C-O 3.6Å; L133-E369 WeakPolarHBondContact CA-O 3.33Å; L133-E369 WeakPolarHBondContact CB-O 3.43Å; L133-E369 PolarHBondContact N-O 2.83Å; L133-V370 HydrophobicContact CD1-CG1 4.38Å; L133-F371 PolarHBondContact O-N 2.77Å; L133-D372 PolarHBondContact O-N 3Å; L133-A375 HydrophobicContact CB-CB 4.39Å; L133-A375 HydrophobicContact CD1-CB 4.46Å; L133-L379 HydrophobicContact CD1-CD2 3.75Å | ||
| 134 | L | 94.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 17.3 Ų | 17.3 | 13% | 0.126 | 9% | 0.086 | C | C | . | . | trans | -80.3 | 164.8 | 174.9 | -53.4 | 115.1 | 0 | 0 | 0 | 110.9 | C132 D136 L138 A139 T147 E369 F371 | C132-L134 HydrophobicContact CB-CD1 3.93Å; C132-L134 PolarHBondContact O-N 3.3Å; L134-D136 PolarHBondContact O-N 2.8Å; L134-L138 HydrophobicContact CB-CB 3.89Å; L134-L138 HydrophobicContact CD2-CB 4.25Å; L134-A139 HydrophobicContact CB-CB 4.21Å; L134-A139 HydrophobicContact CD1-CB 4.42Å; L134-T147 WeakPolarHBondContact O-CB 3.35Å; L134-T147 WeakPolarHBondContact O-CG2 3.35Å; L134-T147 PolarHBondContact O-OG1 2.98Å; L134-E369 WeakPolarHBondContact CD1-OE2 3.16Å; L134-F371 HydrophobicContact CD2-CD2 3.72Å; L134-F371 HydrophobicContact CD2-CE2 3.93Å; L134-F371 HydrophobicContact CG-CD2 3.89Å; L134-F371 HydrophobicContact CG-CE2 4.43Å | ||
| 135 | P | 93.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 18.6 Ų | 18.6 | 12% | 0.123 | 9% | 0.092 | C | C | . | . | trans | -43.3 | 141.3 | 158.5 | -27.5 | 34.9 | 0 | 0 | 0 | 110.8 | Y28 S137 L138 A139 | Y28-P135 HydrophobicContact CE2-CB 4.33Å; Y28-P135 HydrophobicContact CE2-CG 4.25Å; Y28-P135 VanDerWaalsContact OH-CB 3.29Å; Y28-P135 WeakPolarHBondContact OH-CB 3.34Å; Y28-P135 VanDerWaalsContact OH-CG 3.28Å; Y28-P135 WeakPolarHBondContact OH-CG 3.12Å; P135-S137 VanDerWaalsContact C-N 3.26Å; P135-S137 PolarHBondContact O-N 3.1Å; P135-L138 HydrophobicContact CB-CD1 4.47Å; P135-L138 HydrophobicContact CB-CG 4.42Å; P135-L138 HydrophobicContact CG-CD1 4.17Å; P135-L138 CarbonylContact O-C 3.52Å; P135-L138 WeakPolarHBondContact O-CA 3.46Å; P135-L138 WeakPolarHBondContact O-CB 3.38Å; P135-L138 PolarHBondContact O-N 3.37Å; P135-A139 PolarHBondContact O-N 2.77Å | ||
| 136 | D | 91.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.7 | -39.1 | -166.7 | -166.7 | 81.1 | 0 | 0 | 0 | 112.6 | D32 R33 L134 L138 A139 R140 N146 | D32-D136 PolarHBondContact OD1-N 3.13Å; D32-D136 VanDerWaalsContact OD1-N 3.12Å; R33-D136 IonicContact CZ-OD2 3.25Å; R33-D136 IonicContact NH1-OD2 2.97Å; R33-D136 IonicContact NH2-OD2 3.48Å; L134-D136 PolarHBondContact O-N 2.8Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 2.78Å; D136-A139 PolarHBondContact O-N 2.91Å; D136-R140 VanDerWaalsContact O-CD 3.29Å; D136-R140 WeakPolarHBondContact O-CD 3.14Å; D136-R140 WeakPolarHBondContact O-CG 3.48Å; D136-R140 PolarHBondContact O-N 2.86Å; D136-R140 VanDerWaalsContact O-N 3.13Å; D136-R140 IonicContact OD2-CZ 3.4Å; D136-R140 IonicContact OD2-NE 3.52Å; D136-R140 PolarHBondContact OD2-NE 3Å; D136-R140 IonicContact OD2-NH2 3.78Å; D136-N146 WeakPolarHBondContact OD1-CA 3.31Å; D136-N146 PolarHBondContact OD1-N 3.31Å |
| 137 | S | 92 | Very high | 94.8 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.9 | -40 | 173.3 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | D32 P135 F141 | D32-S137 VanDerWaalsContact OD1-CB 3.29Å; D32-S137 WeakPolarHBondContact OD1-CB 3.22Å; D32-S137 PolarHBondContact OD1-N 3.2Å; D32-S137 PolarHBondContact OD1-OG 3.07Å; P135-S137 VanDerWaalsContact C-N 3.26Å; P135-S137 PolarHBondContact O-N 3.1Å; S137-F141 WeakPolarHBondContact O-CD2 3.34Å; S137-F141 WeakPolarHBondContact O-CE2 3.3Å |
| 138 | L | 92.4 | Very high | 94.6 | Very high | 82 Ų | 82 | 22.6 Ų | 22.6 | 43% | 0.429 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -77.3 | -40 | 178.5 | -64.7 | -175.4 | 0 | 0 | 0 | 111.5 | L134 P135 D136 R140 F141 | L134-L138 HydrophobicContact CB-CB 3.89Å; L134-L138 HydrophobicContact CD2-CB 4.25Å; P135-L138 HydrophobicContact CB-CD1 4.47Å; P135-L138 HydrophobicContact CB-CG 4.42Å; P135-L138 HydrophobicContact CG-CD1 4.17Å; P135-L138 CarbonylContact O-C 3.52Å; P135-L138 WeakPolarHBondContact O-CA 3.46Å; P135-L138 WeakPolarHBondContact O-CB 3.38Å; P135-L138 PolarHBondContact O-N 3.37Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 2.78Å; L138-R140 PolarHBondContact O-N 3.24Å; L138-F141 HydrophobicContact CD2-CE2 4.41Å; L138-F141 WeakPolarHBondContact O-CB 3.43Å; L138-F141 PolarHBondContact O-N 2.87Å |
| 139 | A | 93.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.1 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L134 P135 D136 F141 N142 V144 | L134-A139 HydrophobicContact CB-CB 4.21Å; L134-A139 HydrophobicContact CD1-CB 4.42Å; P135-A139 PolarHBondContact O-N 2.77Å; D136-A139 PolarHBondContact O-N 2.91Å; A139-F141 PolarHBondContact O-N 2.84Å; A139-N142 CarbonylContact O-C 3.55Å; A139-N142 PolarHBondContact O-N 2.79Å; A139-V144 CarbonylContact C-O 3.55Å; A139-V144 HydrophobicContact CB-CG2 4.1Å; A139-V144 WeakPolarHBondContact CB-O 3.41Å; A139-V144 WeakPolarHBondContact O-CG2 3.15Å; A139-V144 PolarHBondContact O-N 2.88Å; A139-V144 VanDerWaalsContact O-N 3.12Å; A139-V144 VanDerWaalsContact O-O 3.04Å |
| 140 | R | 93.8 | Very high | 94.5 | Very high | 27 Ų | 27 | 24.2 Ų | 24.2 | 10% | 0.102 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -64.2 | -21.8 | 179.6 | -73.7 | 159.6 | 171.7 | -77.3 | -6.5 | 113.9 | V39 T41 E44 D136 L138 N142 N143 V144 F145 | V39-R140 HydrophobicContact CB-CB 4.17Å; V39-R140 HydrophobicContact CG1-CB 3.79Å; V39-R140 WeakPolarHBondContact O-CD 3.18Å; V39-R140 PolarHBondContact O-NH1 2.89Å; T41-R140 HydrophobicContact CG2-CG 4.14Å; E44-R140 VanDerWaalsContact CD-NH1 3.3Å; E44-R140 IonicContact OE1-CZ 3.01Å; E44-R140 IonicContact OE1-NH1 3.77Å; E44-R140 PolarHBondContact OE1-NH1 2.97Å; E44-R140 IonicContact OE1-NH2 2.72Å; E44-R140 PolarHBondContact OE1-NH2 3.24Å; E44-R140 IonicContact OE2-CZ 3.53Å; E44-R140 IonicContact OE2-NH1 3.85Å; E44-R140 PolarHBondContact OE2-NH1 2.63Å; E44-R140 IonicContact OE2-NH2 3.78Å; D136-R140 VanDerWaalsContact O-CD 3.29Å; D136-R140 WeakPolarHBondContact O-CD 3.14Å; D136-R140 WeakPolarHBondContact O-CG 3.48Å; D136-R140 PolarHBondContact O-N 2.86Å; D136-R140 VanDerWaalsContact O-N 3.13Å; D136-R140 IonicContact OD2-CZ 3.4Å; D136-R140 IonicContact OD2-NE 3.52Å; D136-R140 PolarHBondContact OD2-NE 3Å; D136-R140 IonicContact OD2-NH2 3.78Å; L138-R140 PolarHBondContact O-N 3.24Å; R140-N142 VanDerWaalsContact C-N 3.31Å; R140-N143 WeakPolarHBondContact O-CA 3.34Å; R140-N143 PolarHBondContact O-N 2.86Å; R140-N143 VanDerWaalsContact O-N 3.07Å; R140-V144 VanDerWaalsContact CA-O 3.28Å; R140-V144 WeakPolarHBondContact CA-O 3.09Å; R140-V144 PolarHBondContact N-O 2.88Å; R140-F145 HydrophobicContact CG-CB 4.32Å |
| 141 | F | 90.9 | Very high | 94.5 | Very high | 133 Ų | 133 | 24.2 Ų | 24.2 | 58% | 0.583 | 13% | 0.125 | S | C | * | . | G | 310 helix | trans | -70.6 | -28.9 | 172.2 | -70 | -81.5 | 0 | 0 | 0 | 112.5 | V39 S137 L138 A139 N143 | V39-F141 HydrophobicContact CG1-CE1 4.42Å; V39-F141 HydrophobicContact CG1-CZ 4.48Å; V39-F141 HydrophobicContact CG2-CZ 4.14Å; S137-F141 WeakPolarHBondContact O-CD2 3.34Å; S137-F141 WeakPolarHBondContact O-CE2 3.3Å; L138-F141 HydrophobicContact CD2-CE2 4.41Å; L138-F141 WeakPolarHBondContact O-CB 3.43Å; L138-F141 PolarHBondContact O-N 2.87Å; A139-F141 PolarHBondContact O-N 2.84Å; F141-N143 PolarHBondContact O-N 2.76Å |
| 142 | N | 90.9 | Very high | 94.5 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 21% | 0.214 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -86.5 | 18 | 169.4 | -64.4 | 23.4 | 0 | 0 | 0 | 111.3 | C132 A139 R140 V144 D645 | C132-N142 PolarHBondContact SG-ND2 3.08Å; C132-N142 VanDerWaalsContact SG-ND2 3.41Å; A139-N142 CarbonylContact O-C 3.55Å; A139-N142 PolarHBondContact O-N 2.79Å; R140-N142 VanDerWaalsContact C-N 3.31Å; N142-V144 HydrophobicContact CB-CG2 4.03Å; N142-V144 PolarHBondContact O-N 2.81Å; N142-D645 PolarHBondContact ND2-OD2 2.94Å |
| 143 | N | 94.6 | Very high | 94.6 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 32.3 | -176.9 | -162.2 | 41.6 | 0 | 0 | 0 | 114.3 | T41 T42 R140 F141 P559 Y563 | T41-N143 WeakPolarHBondContact CA-OD1 3.26Å; T41-N143 VanDerWaalsContact CB-OD1 3.3Å; T41-N143 WeakPolarHBondContact CB-OD1 3.39Å; T42-N143 PolarHBondContact N-OD1 2.94Å; T42-N143 PolarHBondContact OG1-ND2 3Å; R140-N143 WeakPolarHBondContact O-CA 3.34Å; R140-N143 PolarHBondContact O-N 2.86Å; R140-N143 VanDerWaalsContact O-N 3.07Å; F141-N143 PolarHBondContact O-N 2.76Å; N143-P559 HydrophobicContact CB-CB 3.73Å; N143-P559 PolarHBondContact ND2-O 2.76Å; N143-Y563 WeakPolarHBondContact O-CE2 3.44Å; N143-Y563 PolarHBondContact O-OH 3.08Å |
| 144 | V | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -124.9 | 147 | 177 | -73.1 | 0 | 0 | 0 | 0 | 112.1 | C132 A139 R140 N142 R150 L562 Y563 | C132-V144 HydrophobicContact CB-CG2 4.25Å; A139-V144 CarbonylContact C-O 3.55Å; A139-V144 HydrophobicContact CB-CG2 4.1Å; A139-V144 WeakPolarHBondContact CB-O 3.41Å; A139-V144 WeakPolarHBondContact O-CG2 3.15Å; A139-V144 PolarHBondContact O-N 2.88Å; A139-V144 VanDerWaalsContact O-N 3.12Å; A139-V144 VanDerWaalsContact O-O 3.04Å; R140-V144 VanDerWaalsContact CA-O 3.28Å; R140-V144 WeakPolarHBondContact CA-O 3.09Å; R140-V144 PolarHBondContact N-O 2.88Å; N142-V144 HydrophobicContact CB-CG2 4.03Å; N142-V144 PolarHBondContact O-N 2.81Å; V144-R150 VanDerWaalsContact CB-NH1 3.32Å; V144-L562 HydrophobicContact CG1-CD2 3.35Å; V144-Y563 WeakPolarHBondContact CA-OH 3.41Å | ||
| 145 | F | 92.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 12% | 0.118 | 15% | 0.146 | C | C | . | . | trans | -140.2 | 172 | -175.5 | 70.1 | -77 | 0 | 0 | 0 | 111.7 | T41 Y43 R140 R150 Y563 | T41-F145 HydrophobicContact CG2-CB 4.01Å; T41-F145 HydrophobicContact CG2-CD1 3.85Å; T41-F145 HydrophobicContact CG2-CG 4.28Å; Y43-F145 AromaticContact CD1-CE1 3.89Å; Y43-F145 HydrophobicContact CD1-CE1 3.89Å; Y43-F145 AromaticContact CD1-CZ 3.68Å; Y43-F145 HydrophobicContact CD1-CZ 3.68Å; Y43-F145 HydrophobicContact CE1-CZ 4.02Å; Y43-F145 HydrophobicContact CG-CE1 4.25Å; Y43-F145 HydrophobicContact CG-CZ 4.42Å; R140-F145 HydrophobicContact CG-CB 4.32Å; F145-R150 WeakPolarHBondContact O-CD 3.29Å; F145-Y563 WeakPolarHBondContact CD1-OH 3.34Å; F145-Y563 HydrophobicContact CE1-CE1 4.38Å; F145-Y563 AromaticContact CE1-CZ 3.99Å | ||
| 146 | N | 93.3 | Very high | 95.1 | Very high | 51 Ų | 51 | 32.9 Ų | 32.9 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | trans | 60.3 | 48.4 | -178.6 | -71.7 | -20.2 | 0 | 0 | 0 | 113.3 | D136 Q148 A149 R150 I247 | D136-N146 WeakPolarHBondContact OD1-CA 3.31Å; D136-N146 PolarHBondContact OD1-N 3.31Å; N146-Q148 PolarHBondContact O-N 3.42Å; N146-A149 HydrophobicContact CB-CB 4.46Å; N146-A149 PolarHBondContact O-N 3.18Å; N146-R150 PolarHBondContact O-N 2.82Å; N146-I247 HydrophobicContact CB-CD1 4.35Å; N146-I247 HydrophobicContact CB-CG2 4.15Å | ||
| 147 | T | 95.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -43.5 | -45 | -177.4 | -55.1 | 0 | 0 | 0 | 0 | 113.5 | L133 L134 A149 R150 A151 D372 A375 | L133-T147 HydrophobicContact CB-CG2 4.09Å; L133-T147 HydrophobicContact CD2-CG2 3.93Å; L134-T147 WeakPolarHBondContact O-CB 3.35Å; L134-T147 WeakPolarHBondContact O-CG2 3.35Å; L134-T147 PolarHBondContact O-OG1 2.98Å; T147-A149 PolarHBondContact O-N 3.1Å; T147-R150 PolarHBondContact O-N 3.12Å; T147-A151 WeakPolarHBondContact O-CB 3.3Å; T147-A151 PolarHBondContact O-N 3.01Å; T147-D372 HydrophobicContact CG2-CB 4.17Å; T147-A375 HydrophobicContact CG2-CB 3.71Å |
| 148 | Q | 96 | Very high | 95.7 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 17% | 0.173 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | -177.5 | -65.2 | -58.9 | -49.7 | 0 | 0 | 113.8 | N146 D372 K378 | N146-Q148 PolarHBondContact O-N 3.42Å; Q148-D372 VanDerWaalsContact NE2-CG 3.34Å; Q148-D372 PolarHBondContact NE2-OD1 3.29Å; Q148-K378 HydrophobicContact CB-CD 4.39Å |
| 149 | A | 96.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 26% | 0.264 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -80.8 | -38.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N146 T147 A151 K152 E153 I247 | N146-A149 HydrophobicContact CB-CB 4.46Å; N146-A149 PolarHBondContact O-N 3.18Å; T147-A149 PolarHBondContact O-N 3.1Å; A149-A151 VanDerWaalsContact C-N 3.26Å; A149-A151 PolarHBondContact O-N 3.23Å; A149-K152 PolarHBondContact O-N 3.41Å; A149-E153 PolarHBondContact O-N 3.05Å; A149-I247 HydrophobicContact CB-CG2 3.22Å |
| 150 | R | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.011 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.5 | -44.4 | 169.7 | -80.6 | 176.9 | 55.7 | -137.5 | -5.1 | 111.3 | V131 C132 L133 V144 F145 N146 T147 K152 E153 I154 L643 | V131-R150 PolarHBondContact O-NH2 3.22Å; C132-R150 PolarHBondContact O-NH1 3.25Å; C132-R150 PolarHBondContact O-NH2 3.43Å; L133-R150 HydrophobicContact CD2-CB 4.24Å; V144-R150 VanDerWaalsContact CB-NH1 3.32Å; F145-R150 WeakPolarHBondContact O-CD 3.29Å; N146-R150 PolarHBondContact O-N 2.82Å; T147-R150 PolarHBondContact O-N 3.12Å; R150-K152 PolarHBondContact O-N 2.85Å; R150-E153 PolarHBondContact O-N 3.18Å; R150-E153 VanDerWaalsContact O-N 3.16Å; R150-I154 HydrophobicContact CB-CD1 4.37Å; R150-I154 VanDerWaalsContact O-CB 3.32Å; R150-I154 WeakPolarHBondContact O-CB 3.29Å; R150-I154 WeakPolarHBondContact O-CG1 3.31Å; R150-I154 PolarHBondContact O-N 3.04Å; R150-L643 HydrophobicContact CG-CD2 4.21Å; R150-L643 PolarHBondContact NE-O 3.18Å; R150-L643 PolarHBondContact NH2-O 2.89Å |
| 151 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L133 T147 A149 G155 A375 K378 L379 | L133-A151 HydrophobicContact CD1-CB 3.82Å; L133-A151 HydrophobicContact CD2-CB 3.94Å; T147-A151 WeakPolarHBondContact O-CB 3.3Å; T147-A151 PolarHBondContact O-N 3.01Å; A149-A151 VanDerWaalsContact C-N 3.26Å; A149-A151 PolarHBondContact O-N 3.23Å; A151-G155 PolarHBondContact O-N 2.84Å; A151-G155 VanDerWaalsContact O-N 3.09Å; A151-A375 HydrophobicContact CB-CB 3.77Å; A151-A375 VanDerWaalsContact CB-O 3.31Å; A151-A375 WeakPolarHBondContact CB-O 3.44Å; A151-K378 HydrophobicContact CB-CB 4.43Å; A151-L379 HydrophobicContact CB-CB 4.3Å |
| 152 | K | 98.1 | Very high | 96.1 | Very high | 102 Ų | 102 | 26.7 Ų | 26.7 | 44% | 0.443 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62 | -46.3 | 174.6 | -69.8 | -175.2 | 175.6 | -175.5 | 0 | 111.1 | A149 R150 G155 R156 K378 | A149-K152 PolarHBondContact O-N 3.41Å; R150-K152 PolarHBondContact O-N 2.85Å; K152-G155 PolarHBondContact O-N 2.79Å; K152-R156 WeakPolarHBondContact O-CB 3.43Å; K152-R156 PolarHBondContact O-N 3.08Å; K152-K378 HydrophobicContact CD-CD 4.42Å; K152-K378 HydrophobicContact CG-CB 3.85Å; K152-K378 HydrophobicContact CG-CD 4.14Å; K152-K378 HydrophobicContact CG-CG 4.19Å |
| 153 | E | 98.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 28 Ų | 28 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | -177.5 | 177.6 | 60.6 | -169.9 | 0 | 0 | 112.4 | A149 R150 R156 R157 L643 | A149-E153 PolarHBondContact O-N 3.05Å; R150-E153 PolarHBondContact O-N 3.18Å; R150-E153 VanDerWaalsContact O-N 3.16Å; E153-R156 VanDerWaalsContact CD-NH2 3.26Å; E153-R156 WeakPolarHBondContact O-CB 3.49Å; E153-R156 PolarHBondContact O-N 2.75Å; E153-R156 IonicContact OE1-CZ 3.65Å; E153-R156 IonicContact OE1-NE 3.28Å; E153-R156 IonicContact OE1-NH2 2.75Å; E153-R156 PolarHBondContact OE1-NH2 3.21Å; E153-R156 IonicContact OE2-CZ 2.71Å; E153-R156 VanDerWaalsContact OE2-CZ 3.31Å; E153-R156 IonicContact OE2-NE 4Å; E153-R156 PolarHBondContact OE2-NE 3.4Å; E153-R156 IonicContact OE2-NH2 2.67Å; E153-R156 PolarHBondContact OE2-NH2 3.39Å; E153-R156 VanDerWaalsContact OE2-NH2 3.08Å; E153-R157 WeakPolarHBondContact O-CG 3.36Å; E153-R157 PolarHBondContact O-N 2.63Å; E153-R157 IonicContact OE1-CZ 3.04Å; E153-R157 IonicContact OE1-NE 3.76Å; E153-R157 PolarHBondContact OE1-NE 3.37Å; E153-R157 IonicContact OE1-NH2 3.98Å; E153-R157 PolarHBondContact OE1-NH2 3.22Å; E153-L643 HydrophobicContact CB-CD1 4.42Å; E153-L643 HydrophobicContact CG-CD1 3.62Å; E153-L643 HydrophobicContact CG-CD2 4.02Å; E153-L643 HydrophobicContact CG-CG 4.49Å |
| 154 | I | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -51.8 | 175.2 | -71.5 | 169.1 | 0 | 0 | 0 | 109.7 | V131 L133 R150 R156 R157 I158 L379 L640 L643 | V131-I154 HydrophobicContact CB-CD1 4.13Å; V131-I154 HydrophobicContact CG1-CG2 3.99Å; L133-I154 HydrophobicContact CD2-CD1 4.15Å; R150-I154 HydrophobicContact CB-CD1 4.37Å; R150-I154 VanDerWaalsContact O-CB 3.32Å; R150-I154 WeakPolarHBondContact O-CB 3.29Å; R150-I154 WeakPolarHBondContact O-CG1 3.31Å; R150-I154 PolarHBondContact O-N 3.04Å; I154-R156 VanDerWaalsContact C-N 3.31Å; I154-R156 PolarHBondContact O-N 2.82Å; I154-R157 PolarHBondContact O-N 3.01Å; I154-I158 HydrophobicContact CG2-CD1 3.62Å; I154-I158 HydrophobicContact CG2-CG1 4.42Å; I154-I158 VanDerWaalsContact O-CG1 3.29Å; I154-I158 WeakPolarHBondContact O-CG1 3.33Å; I154-I158 PolarHBondContact O-N 3.32Å; I154-L379 HydrophobicContact CG2-CD1 4.14Å; I154-L640 HydrophobicContact CB-CD2 4.49Å; I154-L640 HydrophobicContact CG1-CD2 4.37Å; I154-L640 HydrophobicContact CG2-CD1 4.13Å; I154-L640 HydrophobicContact CG2-CD2 4.21Å; I154-L643 HydrophobicContact CD1-CB 4.23Å; I154-L643 HydrophobicContact CG1-CB 3.91Å; I154-L643 HydrophobicContact CG1-CD1 3.9Å |
| 155 | G | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A151 K152 R159 L379 | A151-G155 PolarHBondContact O-N 2.84Å; A151-G155 VanDerWaalsContact O-N 3.09Å; K152-G155 PolarHBondContact O-N 2.79Å; G155-R159 VanDerWaalsContact O-CB 3.3Å; G155-R159 WeakPolarHBondContact O-CB 3.36Å; G155-R159 PolarHBondContact O-N 3.27Å; G155-L379 VanDerWaalsContact CA-CD1 3.49Å |
| 156 | R | 98 | Very high | 93.9 | Very high | 96 Ų | 96 | 39.9 Ų | 39.9 | 36% | 0.362 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.1 | -46 | 175.4 | -171.3 | -169.3 | 71.2 | 84.8 | 0.7 | 112 | K152 E153 I154 N160 | K152-R156 WeakPolarHBondContact O-CB 3.43Å; K152-R156 PolarHBondContact O-N 3.08Å; E153-R156 VanDerWaalsContact CD-NH2 3.26Å; E153-R156 WeakPolarHBondContact O-CB 3.49Å; E153-R156 PolarHBondContact O-N 2.75Å; E153-R156 IonicContact OE1-CZ 3.65Å; E153-R156 IonicContact OE1-NE 3.28Å; E153-R156 IonicContact OE1-NH2 2.75Å; E153-R156 PolarHBondContact OE1-NH2 3.21Å; E153-R156 IonicContact OE2-CZ 2.71Å; E153-R156 VanDerWaalsContact OE2-CZ 3.31Å; E153-R156 IonicContact OE2-NE 4Å; E153-R156 PolarHBondContact OE2-NE 3.4Å; E153-R156 IonicContact OE2-NH2 2.67Å; E153-R156 PolarHBondContact OE2-NH2 3.39Å; E153-R156 VanDerWaalsContact OE2-NH2 3.08Å; I154-R156 VanDerWaalsContact C-N 3.31Å; I154-R156 PolarHBondContact O-N 2.82Å; R156-N160 PolarHBondContact NH1-ND2 3.25Å; R156-N160 VanDerWaalsContact O-CB 3.24Å; R156-N160 WeakPolarHBondContact O-CB 3.34Å; R156-N160 PolarHBondContact O-N 3.01Å; R156-N160 PolarHBondContact O-OD1 3.01Å |
| 157 | R | 98.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | -179.8 | -72.2 | -164.1 | -169.5 | 177.6 | 6.8 | 111.6 | E153 I154 N160 G161 Q639 L640 A641 L643 | E153-R157 WeakPolarHBondContact O-CG 3.36Å; E153-R157 PolarHBondContact O-N 2.63Å; E153-R157 IonicContact OE1-CZ 3.04Å; E153-R157 IonicContact OE1-NE 3.76Å; E153-R157 PolarHBondContact OE1-NE 3.37Å; E153-R157 IonicContact OE1-NH2 3.98Å; E153-R157 PolarHBondContact OE1-NH2 3.22Å; I154-R157 PolarHBondContact O-N 3.01Å; R157-N160 PolarHBondContact O-N 3.48Å; R157-G161 PolarHBondContact O-N 3.11Å; R157-Q639 HydrophobicContact CB-CG 4.23Å; R157-Q639 WeakPolarHBondContact CD-O 3.33Å; R157-Q639 PolarHBondContact NH1-O 3.04Å; R157-Q639 PolarHBondContact O-NE2 3.5Å; R157-Q639 PolarHBondContact O-OE1 3.16Å; R157-L640 HydrophobicContact CB-CD2 4.08Å; R157-A641 PolarHBondContact NH1-O 2.86Å; R157-A641 VanDerWaalsContact NH1-O 3.08Å; R157-L643 VanDerWaalsContact CZ-CD1 3.48Å |
| 158 | I | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57 | -54.2 | 176.5 | -69 | 167.7 | 0 | 0 | 0 | 110.2 | I154 N160 G161 A162 F358 L365 L367 L383 F387 L640 | I154-I158 HydrophobicContact CG2-CD1 3.62Å; I154-I158 HydrophobicContact CG2-CG1 4.42Å; I154-I158 VanDerWaalsContact O-CG1 3.29Å; I154-I158 WeakPolarHBondContact O-CG1 3.33Å; I154-I158 PolarHBondContact O-N 3.32Å; I158-N160 VanDerWaalsContact C-N 3.32Å; I158-N160 PolarHBondContact O-N 2.79Å; I158-G161 PolarHBondContact O-N 2.9Å; I158-G161 VanDerWaalsContact O-N 3.13Å; I158-A162 WeakPolarHBondContact O-CB 2.96Å; I158-A162 PolarHBondContact O-N 3.48Å; I158-F358 HydrophobicContact CB-CD2 4.4Å; I158-F358 HydrophobicContact CB-CE2 4.41Å; I158-F358 HydrophobicContact CD1-CE2 4.42Å; I158-F358 HydrophobicContact CD1-CZ 4.25Å; I158-F358 HydrophobicContact CG1-CD2 3.91Å; I158-F358 HydrophobicContact CG1-CE1 4.33Å; I158-F358 HydrophobicContact CG1-CE2 3.46Å; I158-F358 VanDerWaalsContact CG1-CE2 3.46Å; I158-F358 HydrophobicContact CG1-CZ 3.7Å; I158-L365 HydrophobicContact CD1-CD2 4.2Å; I158-L365 HydrophobicContact CG2-CD2 3.75Å; I158-L367 HydrophobicContact CD1-CD2 4.43Å; I158-L383 HydrophobicContact CB-CD2 4.16Å; I158-L383 HydrophobicContact CD1-CD2 4.47Å; I158-L383 HydrophobicContact CG2-CD2 3.81Å; I158-F387 HydrophobicContact CG2-CE2 4.41Å; I158-L640 HydrophobicContact CG1-CD2 4.39Å |
| 159 | R | 95.3 | Very high | 89.4 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 17% | 0.174 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54 | -50.5 | 177.4 | 178.1 | -169.3 | 70.8 | -146.8 | 2.8 | 111.3 | G155 G161 A162 S163 H385 | G155-R159 VanDerWaalsContact O-CB 3.3Å; G155-R159 WeakPolarHBondContact O-CB 3.36Å; G155-R159 PolarHBondContact O-N 3.27Å; R159-G161 PolarHBondContact O-N 2.93Å; R159-A162 PolarHBondContact O-N 2.72Å; R159-S163 VanDerWaalsContact O-CB 3.31Å; R159-S163 WeakPolarHBondContact O-CB 3.07Å; R159-S163 PolarHBondContact O-N 2.75Å; R159-S163 PolarHBondContact O-OG 3.13Å; R159-S163 VanDerWaalsContact O-OG 3.08Å; R159-H385 VanDerWaalsContact CD-CB 3.41Å; R159-H385 HydrophobicContact CG-CB 4.43Å; R159-H385 PolarHBondContact NH1-CD2 2.83Å |
| 160 | N | 95.2 | Very high | 87.1 | Confident | 60 Ų | 60 | 61 Ų | 61 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.9 | -28.8 | -177.4 | -73.1 | 1 | 0 | 0 | 0 | 112.7 | R156 R157 I158 R164 | R156-N160 PolarHBondContact NH1-ND2 3.25Å; R156-N160 VanDerWaalsContact O-CB 3.24Å; R156-N160 WeakPolarHBondContact O-CB 3.34Å; R156-N160 PolarHBondContact O-N 3.01Å; R156-N160 PolarHBondContact O-OD1 3.01Å; R157-N160 PolarHBondContact O-N 3.48Å; I158-N160 VanDerWaalsContact C-N 3.32Å; I158-N160 PolarHBondContact O-N 2.79Å; N160-R164 WeakPolarHBondContact O-CG 3.23Å |
| 161 | G | 95.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.9 | -49 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | R157 I158 R159 S163 R164 F358 | R157-G161 PolarHBondContact O-N 3.11Å; I158-G161 PolarHBondContact O-N 2.9Å; I158-G161 VanDerWaalsContact O-N 3.13Å; R159-G161 PolarHBondContact O-N 2.93Å; G161-S163 VanDerWaalsContact C-N 3.33Å; G161-S163 PolarHBondContact O-N 2.86Å; G161-R164 WeakPolarHBondContact O-CB 3.48Å; G161-R164 WeakPolarHBondContact O-CD 3.49Å; G161-R164 VanDerWaalsContact O-CG 3.25Å; G161-R164 WeakPolarHBondContact O-CG 3.24Å; G161-R164 PolarHBondContact O-N 3.15Å; G161-F358 CarbonylContact C-O 3.52Å |
| 162 | A | 93.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -33.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I158 R159 R164 N361 L362 Y386 | I158-A162 WeakPolarHBondContact O-CB 2.96Å; I158-A162 PolarHBondContact O-N 3.48Å; R159-A162 PolarHBondContact O-N 2.72Å; A162-R164 VanDerWaalsContact C-N 3.29Å; A162-R164 PolarHBondContact O-N 3.4Å; A162-N361 PolarHBondContact O-N 2.94Å; A162-L362 HydrophobicContact CB-CB 3.74Å; A162-L362 HydrophobicContact CB-CD2 4.44Å; A162-Y386 HydrophobicContact CB-CD1 3.9Å; A162-Y386 HydrophobicContact CB-CD2 4.48Å; A162-Y386 HydrophobicContact CB-CE1 3.49Å; A162-Y386 VanDerWaalsContact CB-CE1 3.49Å; A162-Y386 HydrophobicContact CB-CE2 4.12Å; A162-Y386 HydrophobicContact CB-CG 4.37Å; A162-Y386 PolarHBondContact O-OH 3.28Å |
| 163 | S | 90.8 | Very high | 79.9 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 3.6 | 179.3 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | R159 G161 | R159-S163 VanDerWaalsContact O-CB 3.31Å; R159-S163 WeakPolarHBondContact O-CB 3.07Å; R159-S163 PolarHBondContact O-N 2.75Å; R159-S163 PolarHBondContact O-OG 3.13Å; R159-S163 VanDerWaalsContact O-OG 3.08Å; G161-S163 VanDerWaalsContact C-N 3.33Å; G161-S163 PolarHBondContact O-N 2.86Å |
| 164 | R | 90 | Very high | 77.5 | Confident | 96 Ų | 96 | 78.7 Ų | 78.7 | 36% | 0.362 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -67.4 | 140.9 | 179.5 | -68.4 | 170.1 | 66.2 | -140.4 | 2.6 | 110.2 | N160 G161 A162 Q166 A360 | N160-R164 WeakPolarHBondContact O-CG 3.23Å; G161-R164 WeakPolarHBondContact O-CB 3.48Å; G161-R164 WeakPolarHBondContact O-CD 3.49Å; G161-R164 VanDerWaalsContact O-CG 3.25Å; G161-R164 WeakPolarHBondContact O-CG 3.24Å; G161-R164 PolarHBondContact O-N 3.15Å; A162-R164 VanDerWaalsContact C-N 3.29Å; A162-R164 PolarHBondContact O-N 3.4Å; R164-Q166 PolarHBondContact O-N 2.72Å; R164-A360 HydrophobicContact CB-CB 4.26Å; R164-A360 VanDerWaalsContact O-CB 3.25Å; R164-A360 WeakPolarHBondContact O-CB 3.44Å |
| 165 | P | 78.6 | Confident | 75 | Confident | 106 Ų | 106 | 84.1 Ų | 84.1 | 69% | 0.688 | 44% | 0.435 | S | S | * | . | trans | -65.2 | 134.7 | 170.8 | 27.3 | -32.6 | 0 | 0 | 0 | 109.7 | I167 | P165-I167 HydrophobicContact CB-CG1 4.45Å; P165-I167 HydrophobicContact CG-CD1 4.47Å; P165-I167 HydrophobicContact CG-CG1 4.38Å; P165-I167 PolarHBondContact O-N 3.1Å | ||
| 166 | Q | 67.6 | Low | 72.1 | Confident | 87 Ų | 87 | 91.9 Ų | 91.9 | 41% | 0.407 | 48% | 0.476 | S | S | . | . | trans | -77.4 | 93.5 | 174.7 | -167.7 | 176.4 | 9.1 | 0 | 0 | 109.2 | R164 K168 A360 N361 | R164-Q166 PolarHBondContact O-N 2.72Å; Q166-K168 PolarHBondContact O-N 3.42Å; Q166-A360 HydrophobicContact CB-CB 4.32Å; Q166-N361 PolarHBondContact OE1-ND2 3.45Å | ||
| 167 | I | 68.1 | Low | 69.3 | Low | 132 Ų | 132 | 93.7 Ų | 93.7 | 68% | 0.677 | 50% | 0.498 | S | S | * | . | trans | -86.8 | 96.9 | 178.3 | -54.1 | 174.8 | 0 | 0 | 0 | 108.6 | P165 I169 | P165-I167 HydrophobicContact CB-CG1 4.45Å; P165-I167 HydrophobicContact CG-CD1 4.47Å; P165-I167 HydrophobicContact CG-CG1 4.38Å; P165-I167 PolarHBondContact O-N 3.1Å; I167-I169 HydrophobicContact CG2-CD1 4.44Å; I167-I169 HydrophobicContact CG2-CG1 3.78Å | ||
| 168 | K | 57.8 | Low | 66.4 | Low | 114 Ų | 114 | 97.6 Ų | 97.6 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | trans | -85.6 | 103.7 | 166.2 | -70.1 | -172.5 | 178.5 | -173.2 | 0 | 108.4 | Q166 Y170 E632 | Q166-K168 PolarHBondContact O-N 3.42Å; K168-Y170 HydrophobicContact CB-CE2 3.93Å; K168-Y170 WeakPolarHBondContact O-CD2 3.31Å; K168-Y170 PolarHBondContact O-N 3Å; K168-E632 IonicContact NZ-OE1 2.92Å; K168-E632 PolarHBondContact NZ-OE1 2.93Å | ||
| 169 | I | 64.4 | Low | 63.4 | Low | 137 Ų | 137 | 105.7 Ų | 105.7 | 70% | 0.703 | 57% | 0.57 | S | S | * | * | trans | -82.8 | 106.8 | 175.4 | -55.7 | 179.1 | 0 | 0 | 0 | 108.4 | I167 I171 | I167-I169 HydrophobicContact CG2-CD1 4.44Å; I167-I169 HydrophobicContact CG2-CG1 3.78Å; I169-I171 HydrophobicContact CG2-CG1 4.09Å | ||
| 170 | Y | 49.6 | Very low | 60.4 | Low | 185 Ų | 185 | 109.1 Ų | 109.1 | 73% | 0.725 | 60% | 0.602 | S | S | * | * | trans | -80.4 | 117.2 | 168.7 | -62.9 | -88.8 | 0 | 0 | 0 | 108.7 | K168 | K168-Y170 HydrophobicContact CB-CE2 3.93Å; K168-Y170 WeakPolarHBondContact O-CD2 3.31Å; K168-Y170 PolarHBondContact O-N 3Å | ||
| 171 | I | 59.2 | Low | 57.5 | Low | 131 Ų | 131 | 110.7 Ų | 110.7 | 67% | 0.672 | 62% | 0.623 | S | S | * | * | trans | -100.5 | 93.6 | 170.7 | -55.2 | 176 | 0 | 0 | 0 | 106.7 | I169 S173 | I169-I171 HydrophobicContact CG2-CG1 4.09Å; I171-S173 PolarHBondContact O-N 3.47Å | ||
| 172 | D | 40.1 | Very low | 54.4 | Low | 152 Ų | 152 | 115.1 Ų | 115.1 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | trans | -66.8 | 103.9 | 164.9 | -77.8 | -21.9 | 0 | 0 | 0 | 107.7 | P174 | D172-P174 WeakPolarHBondContact O-CD 3.37Š| ||
| 173 | S | 41.6 | Very low | 51.3 | Low | 89 Ų | 89 | 120.5 Ų | 120.5 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | trans | -68.9 | 123.7 | 167.3 | -66.1 | 0 | 0 | 0 | 0 | 107.6 | I171 T175 | I171-S173 PolarHBondContact O-N 3.47Å; S173-T175 PolarHBondContact O-N 3.3Å | ||
| 174 | P | 50 | Low | 48.6 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -75.3 | 78.6 | 179 | 30.4 | -32.5 | 0 | 0 | 0 | 109.7 | D172 | D172-P174 WeakPolarHBondContact O-CD 3.37Š|
| 175 | T | 45.7 | Very low | 45.7 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -153.6 | 78.8 | 165.8 | 8.6 | 0 | 0 | 0 | 0 | 109.7 | S173 | S173-T175 PolarHBondContact O-N 3.3Š| ||
| 176 | N | 37.4 | Very low | 43.4 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | 153.5 | 81.4 | 138.3 | -81.9 | -40.3 | 0 | 0 | 0 | 111 | ||||
| 177 | T | 37.8 | Very low | 41.6 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -75.4 | 122.4 | 151 | 40.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 178 | S | 38.8 | Very low | 39.8 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 61.7 | 112.2 | 154.5 | 64 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 179 | I | 33.7 | Very low | 38.5 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | -159.3 | 118.7 | 106.4 | -83.4 | 145.7 | 0 | 0 | 0 | 107.3 | |||||
| 180 | S | 33.2 | Very low | 37.7 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -77.4 | 133.4 | 165.1 | -56 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 181 | A | 33.7 | Very low | 36.8 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 170.6 | 122.9 | 134.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 182 | A | 30.4 | Very low | 35.2 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 32.8 | 136.9 | 138 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 183 | S | 29.6 | Very low | 34.6 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 102.3 | 89.8 | 150.8 | -50.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 184 | F | 32.4 | Very low | 34 | Very low | 214 Ų | 214 | 127.1 Ų | 127.1 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -95.8 | 102.4 | 142.6 | -84.2 | -82 | 0 | 0 | 0 | 108.3 | ||||
| 185 | S | 31 | Very low | 33.1 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -174.4 | 133.9 | 139.8 | -89.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 186 | S | 29.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 109.7 | 132.9 | 141.3 | 82.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 187 | L | 29.3 | Very low | 32.2 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | 99.8 | 89 | 150 | -62.3 | 164.4 | 0 | 0 | 0 | 120 | ||||
| 188 | V | 29.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | 28.8 | 112.7 | 112.3 | -174.9 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 189 | S | 31.6 | Very low | 31.3 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | 41.8 | 170.2 | 130.3 | -52.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 190 | P | 46.2 | Very low | 31 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -146 | 176.2 | 9.3 | 40.3 | -18.4 | 0 | 0 | 0 | 118.7 | ||||
| 191 | Q | 30.8 | Very low | 30.7 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | 75.1 | 132.4 | 136.6 | -89.3 | 173.4 | 6.9 | 0 | 0 | 125 | ||||
| 192 | G | 26.6 | Very low | 30.5 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 99.3 | 131.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 193 | G | 28.1 | Very low | 30.4 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | 167.8 | 144.7 | 4.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 194 | D | 28.6 | Very low | 30.3 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 53.7 | 127.7 | 154.2 | -76 | -12.9 | 0 | 0 | 0 | 125 | ||||
| 195 | S | 30.2 | Very low | 30.1 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | 116.1 | 143.7 | 124.8 | 74.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 196 | T | 32.4 | Very low | 30 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | -64.8 | 145.4 | -169.6 | 48.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 197 | N | 31.5 | Very low | 29.9 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | 179 | 162.9 | 123.7 | -96.6 | -35.5 | 0 | 0 | 0 | 115.6 | |||||
| 198 | R | 29.8 | Very low | 29.9 | Very low | 219 Ų | 219 | 136.9 Ų | 136.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -76.7 | -179.3 | -169.4 | -159 | 178.7 | -178 | 174.5 | 0.2 | 114.4 | ||||
| 199 | T | 28.4 | Very low | 30 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | 80.5 | 115.1 | 161.5 | 40.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 200 | V | 27.4 | Very low | 29.8 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | 87.8 | 126.2 | 57.7 | 172.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 201 | N | 27.3 | Very low | 28.9 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 77.9 | 144.6 | 158 | -77.9 | -5.2 | 0 | 0 | 0 | 118.6 | ||||
| 202 | V | 30.3 | Very low | 28.7 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | cis | -167.6 | 155.2 | 17.8 | 122.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 203 | G | 26.5 | Very low | 28.8 | Very low | 66 Ų | 66 | 148.6 Ų | 148.6 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 77.3 | 147.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 204 | M | 27.9 | Very low | 28.7 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | cis | -163 | 126.9 | 6.5 | -97.7 | 137.1 | 76.1 | 0 | 0 | 109.9 | ||||
| 205 | K | 28.2 | Very low | 28.7 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | 60.8 | 123 | 107.3 | -75 | -171.8 | 177.6 | -179.1 | 0 | 120.6 | |||||
| 206 | R | 29.2 | Very low | 28.7 | Very low | 236 Ų | 236 | 149.3 Ų | 149.3 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | -174.3 | 106.8 | 125.2 | -99 | 177.1 | -178.7 | 175.8 | 1.3 | 108.3 | |||||
| 207 | T | 28.7 | Very low | 28.5 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | 56.9 | 127.9 | 81.2 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 208 | T | 29.3 | Very low | 28.2 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | -167.5 | 149.4 | 35 | 40 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 209 | S | 31 | Very low | 28.2 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 60.6 | 142.5 | 134.6 | 68.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 210 | M | 28.4 | Very low | 28.1 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | cis | -162.8 | 146.4 | 20.2 | -134.9 | 164.7 | -175.8 | 0 | 0 | 110.9 | ||||
| 211 | E | 27.2 | Very low | 28.2 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -79.3 | 161.5 | 175.5 | -62.6 | 162 | 127.1 | 0 | 0 | 112.7 | ||||
| 212 | Y | 25.1 | Very low | 28.2 | Very low | 227 Ų | 227 | 141 Ų | 141 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | -157.6 | 154.2 | 110.6 | -136.2 | -101 | 0 | 0 | 0 | 113.6 | |||||
| 213 | K | 29.3 | Very low | 28.3 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | -108.8 | 158.6 | -161.2 | -175.9 | -178.3 | -175.4 | 177.1 | 0 | 109.9 | ||||
| 214 | G | 25.8 | Very low | 28.4 | Very low | 76 Ų | 76 | 149.4 Ų | 149.4 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 175.5 | 87.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 215 | D | 28.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 146 Ų | 146 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -70.3 | 148.3 | 166.5 | -63.7 | -50.1 | 0 | 0 | 0 | 111.3 | ||||
| 216 | N | 30.4 | Very low | 28.6 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | 142.8 | 140.7 | 104.9 | -151.9 | 19.5 | 0 | 0 | 0 | 115.3 | |||||
| 217 | S | 28.6 | Very low | 28.5 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 78.3 | 132.1 | 146.1 | 70.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 218 | G | 25.7 | Very low | 28.5 | Very low | 79 Ų | 79 | 145.7 Ų | 145.7 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 136.8 | 95.2 | 138.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 219 | S | 28.8 | Very low | 28.5 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -63 | 147.4 | 160.4 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 220 | N | 27.2 | Very low | 28.3 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | 174.9 | 143.1 | 115.1 | -92.3 | -11 | 0 | 0 | 0 | 113.4 | |||||
| 221 | N | 29.7 | Very low | 28.2 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | trans | -70 | 159.6 | 166.9 | -68.1 | -25.4 | 0 | 0 | 0 | 112.1 | ||||
| 222 | G | 27.2 | Very low | 28.2 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | -174.3 | 129.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 223 | E | 30.8 | Very low | 28.2 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -80.4 | 170.6 | -165.4 | -63.7 | 168.2 | 133.9 | 0 | 0 | 115.9 | ||||
| 224 | E | 29.8 | Very low | 28.1 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | 112 | 138.8 | 129 | -133.6 | 178.2 | -165.1 | 0 | 0 | 120.7 | |||||
| 225 | S | 28.2 | Very low | 28.7 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | trans | 93 | 107 | 155 | -39.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 226 | R | 31.3 | Very low | 28.5 | Very low | 228 Ų | 228 | 139.7 Ų | 139.7 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | 84.1 | 125.2 | 72.6 | -84.3 | -165.9 | -173.7 | 169 | 4.8 | 116.2 | |||||
| 227 | D | 28.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | 64.6 | 119.5 | 151.8 | -59.3 | -31.9 | 0 | 0 | 0 | 121.5 | ||||
| 228 | D | 28.2 | Very low | 28.4 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | -171.1 | 157.8 | 108.7 | -106.4 | -32.3 | 0 | 0 | 0 | 115.7 | |||||
| 229 | K | 29.6 | Very low | 28.6 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -81.3 | 151.4 | -165.7 | -90.4 | 175.2 | 170.9 | 173.9 | 0 | 117.6 | ||||
| 230 | A | 27 | Very low | 28.6 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | 68.7 | 125.8 | 134.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 231 | G | 25.9 | Very low | 28.8 | Very low | 77 Ų | 77 | 146.9 Ų | 146.9 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | 167 | 84.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 232 | V | 27.7 | Very low | 28.7 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 96% | 0.964 | 81% | 0.814 | S | S | * | * | trans | 5.6 | 129.8 | 153.6 | -177.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 233 | G | 25 | Very low | 29 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | 163.9 | 95.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 234 | E | 27.1 | Very low | 29.4 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -92.9 | 169.4 | 156.9 | -101.8 | -165.1 | 172.4 | 0 | 0 | 109.6 | ||||
| 235 | P | 36.8 | Very low | 29.8 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | cis | -127.8 | 165 | -13.7 | 32.1 | -13.9 | 0 | 0 | 0 | 111.9 | ||||
| 236 | N | 24.5 | Very low | 30.2 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -149.8 | 123.5 | 147.1 | -126.8 | 4.8 | 0 | 0 | 0 | 110.5 | G238 | N236-G238 PolarHBondContact O-N 3.43Š| ||
| 237 | E | 32.2 | Very low | 30.8 | Very low | 192 Ų | 192 | 128.9 Ų | 128.9 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | -58.5 | 125.4 | 180 | -65.1 | 174.1 | 142.6 | 0 | 0 | 110.9 | ||||
| 238 | G | 25.1 | Very low | 30.8 | Very low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | trans | -123.8 | 108.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | N236 D240 | N236-G238 PolarHBondContact O-N 3.43Å; G238-D240 PolarHBondContact O-N 3.33Å | ||
| 239 | E | 30.7 | Very low | 31.2 | Very low | 194 Ų | 194 | 123.4 Ų | 123.4 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | trans | -61.4 | 103.7 | 172.3 | -72.7 | 177.2 | 130.1 | 0 | 0 | 109.7 | ||||
| 240 | D | 27.5 | Very low | 31.1 | Very low | 154 Ų | 154 | 122.3 Ų | 122.3 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | -85.4 | 129.6 | 169.3 | -87.9 | -28 | 0 | 0 | 0 | 111.3 | G238 A242 | G238-D240 PolarHBondContact O-N 3.33Å; D240-A242 PolarHBondContact O-N 2.83Å | ||
| 241 | N | 31.4 | Very low | 31.4 | Very low | 162 Ų | 162 | 125 Ų | 125 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | trans | -63.3 | 83 | 178.7 | -71.9 | -68.9 | 0 | 0 | 0 | 112 | C243 | N241-C243 PolarHBondContact O-N 2.85Š| ||
| 242 | A | 27.4 | Very low | 31.5 | Very low | 66 Ų | 66 | 129 Ų | 129 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | trans | -80.4 | 91.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | D240 I244 | D240-A242 PolarHBondContact O-N 2.83Å; A242-I244 PolarHBondContact O-N 3.06Å | ||
| 243 | C | 34.5 | Very low | 31.6 | Very low | 95 Ų | 95 | 125 Ų | 125 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | trans | -79.5 | 47.8 | 175.2 | -160.4 | 0 | 0 | 0 | 0 | 112.5 | N241 | N241-C243 PolarHBondContact O-N 2.85Š| ||
| 244 | I | 39 | Very low | 31.5 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 42% | 0.415 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -90.5 | 129.4 | 158.1 | -63.8 | 142.7 | 0 | 0 | 0 | 104.7 | Y43 A242 R246 | Y43-I244 HydrophobicContact CE2-CB 4.47Å; Y43-I244 HydrophobicContact CE2-CD1 3.55Å; Y43-I244 HydrophobicContact CE2-CG1 3.82Å; Y43-I244 HydrophobicContact CE2-CG2 3.9Å; Y43-I244 WeakPolarHBondContact OH-CG2 3.39Å; A242-I244 PolarHBondContact O-N 3.06Å; I244-R246 PolarHBondContact O-N 3.23Å |
| 245 | V | 37.8 | Very low | 31.5 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 46% | 0.455 | 72% | 0.719 | S | S | . | * | trans | -55.4 | 100.7 | 162.5 | 177.9 | 0 | 0 | 0 | 0 | 104.9 | I247 | V245-I247 HydrophobicContact CG1-CG1 3.99Å; V245-I247 PolarHBondContact O-N 3.22Å | ||
| 246 | R | 37.7 | Very low | 30.9 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 75% | 0.751 | 72% | 0.724 | S | S | * | * | trans | -61.8 | 92.1 | 168.2 | -76 | -171.8 | -178.6 | 162.4 | 1.5 | 104.2 | I244 N248 | I244-R246 PolarHBondContact O-N 3.23Å; R246-N248 PolarHBondContact O-N 2.88Å | ||
| 247 | I | 42 | Very low | 30.9 | Very low | 49 Ų | 49 | 128.9 Ų | 128.9 | 25% | 0.251 | 72% | 0.723 | S | S | . | * | trans | -68.7 | 79.3 | 166.6 | -63.3 | 175.8 | 0 | 0 | 0 | 103.8 | N146 A149 V245 G249 | N146-I247 HydrophobicContact CB-CD1 4.35Å; N146-I247 HydrophobicContact CB-CG2 4.15Å; A149-I247 HydrophobicContact CB-CG2 3.22Å; V245-I247 HydrophobicContact CG1-CG1 3.99Å; V245-I247 PolarHBondContact O-N 3.22Å; I247-G249 PolarHBondContact O-N 3.39Å | ||
| 248 | N | 30.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | trans | -63.4 | 104.2 | 174.8 | -80.6 | 0.4 | 0 | 0 | 0 | 106.6 | R246 E250 | R246-N248 PolarHBondContact O-N 2.88Å; N248-E250 VanDerWaalsContact C-N 3.3Å; N248-E250 PolarHBondContact O-N 3.11Å | ||
| 249 | G | 35.6 | Very low | 30.5 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 73% | 0.732 | S | S | * | * | trans | -81 | 81.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | I247 | I247-G249 PolarHBondContact O-N 3.39Š| ||
| 250 | E | 28.8 | Very low | 30.2 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -96.7 | 94.4 | 162.2 | -74 | -178.5 | 160.4 | 0 | 0 | 107.6 | N248 | N248-E250 VanDerWaalsContact C-N 3.3Å; N248-E250 PolarHBondContact O-N 3.11Å | ||
| 251 | D | 33.2 | Very low | 30 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | trans | -129 | 64.1 | 162.9 | -138.5 | 4.8 | 0 | 0 | 0 | 106.4 | ||||
| 252 | N | 27.9 | Very low | 29.6 | Very low | 161 Ų | 161 | 127 Ų | 127 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | trans | -94 | 93.4 | 166.5 | -89.7 | -6.4 | 0 | 0 | 0 | 107.8 | H254 | N252-H254 PolarHBondContact O-N 3.28Š| ||
| 253 | G | 28.1 | Very low | 29.5 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -64.5 | 97 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | M255 | G253-M255 PolarHBondContact O-N 3.12Š| ||
| 254 | H | 23 | Very low | 28.9 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -82.8 | 103.6 | 163.1 | -140.1 | -57 | 0 | 0 | 0 | 107.5 | N252 S256 | N252-H254 PolarHBondContact O-N 3.28Å; H254-S256 PolarHBondContact O-N 2.93Å | ||
| 255 | M | 27.5 | Very low | 28.2 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -60.1 | 126.4 | 153.7 | -69.8 | -93.8 | 97 | 0 | 0 | 106.9 | G253 | G253-M255 PolarHBondContact O-N 3.12Š| ||
| 256 | S | 25.6 | Very low | 27.6 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -117 | 119.2 | 158.8 | 55.2 | 0 | 0 | 0 | 0 | 107.3 | H254 | H254-S256 PolarHBondContact O-N 2.93Š| ||
| 257 | D | 24.6 | Very low | 26.9 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -60.8 | 158.6 | -180 | -83.6 | -44.5 | 0 | 0 | 0 | 113.5 | ||||
| 258 | A | 24.2 | Very low | 26.2 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -60.4 | 148.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 259 | E | 23.7 | Very low | 25.9 | Very low | 201 Ų | 201 | 137.5 Ų | 137.5 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -107.3 | 134.9 | 147.7 | -78.3 | -170.3 | 149.5 | 0 | 0 | 109.8 | ||||
| 260 | A | 24.3 | Very low | 25.5 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -81.2 | 145 | -173 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 261 | E | 23.2 | Very low | 25.2 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -141.5 | 156.6 | 145.3 | -83.5 | -153.8 | 157.9 | 0 | 0 | 110.9 | ||||
| 262 | T | 23.7 | Very low | 25.8 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -94.4 | 156.6 | -138.3 | -18.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 263 | I | 23.8 | Very low | 25.8 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -64.3 | 136.4 | 176.7 | -66.4 | 165.7 | 0 | 0 | 0 | 112.9 | ||||
| 264 | N | 23.9 | Very low | 25.7 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -173.1 | 131.7 | 140.4 | -94.4 | -14.6 | 0 | 0 | 0 | 105.9 | ||||
| 265 | G | 24 | Very low | 25.8 | Very low | 59 Ų | 59 | 135.5 Ų | 135.5 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | 153.8 | 139.3 | 10.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 266 | Q | 24.8 | Very low | 25.8 | Very low | 204 Ų | 204 | 131.7 Ų | 131.7 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | 74.1 | 149.1 | 171.8 | -68.2 | 166.6 | -58.7 | 0 | 0 | 118.7 | ||||
| 267 | A | 23.6 | Very low | 25.9 | Very low | 71 Ų | 71 | 133 Ų | 133 | 59% | 0.587 | 78% | 0.781 | S | S | * | * | cis | 173.7 | 150.2 | -26.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 268 | N | 26.4 | Very low | 26 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | 76.9 | 147.6 | 165.2 | -49.4 | -26.8 | 0 | 0 | 0 | 116.2 | ||||
| 269 | A | 24.5 | Very low | 26.1 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | cis | 178.5 | 165.1 | -18.6 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 270 | S | 27.7 | Very low | 26.2 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 73.9 | 99 | 162.1 | 54.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 271 | D | 22.5 | Very low | 26.4 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | -39 | 177.5 | 129.6 | -89.6 | -22.8 | 0 | 0 | 0 | 115.1 | |||||
| 272 | P | 45.2 | Very low | 26.5 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -141.4 | -166.3 | -19.1 | 32.2 | -9.5 | 0 | 0 | 0 | 113.7 | ||||
| 273 | A | 27.4 | Very low | 26.6 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 80.2 | 144.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 274 | E | 27.1 | Very low | 26.6 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -170.9 | 159.6 | 2.8 | -117.4 | -174.3 | 157.2 | 0 | 0 | 106.1 | ||||
| 275 | Q | 25.2 | Very low | 26.7 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 50.4 | 140.7 | 140.4 | -63.3 | 177.1 | 23.6 | 0 | 0 | 119.1 | ||||
| 276 | S | 25.5 | Very low | 26.8 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | cis | 167.8 | 153.6 | 16.9 | 43.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 277 | L | 28.3 | Very low | 27 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 66.4 | 113.3 | 143.3 | -65.2 | 163.2 | 0 | 0 | 0 | 118.6 | ||||
| 278 | E | 26.6 | Very low | 27.1 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | 82.8 | 140.5 | 94.2 | -84.1 | -172.3 | 170.3 | 0 | 0 | 115.4 | |||||
| 279 | G | 26.4 | Very low | 27.2 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | 103.6 | 84.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 280 | D | 26.7 | Very low | 27.4 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | 84.3 | 143.8 | 68.5 | -145.9 | 15 | 0 | 0 | 0 | 113.9 | |||||
| 281 | V | 27.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | 93.9 | 100.7 | 163.9 | -167.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 282 | E | 26.6 | Very low | 27.5 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | 58.9 | 139.5 | 130 | -69.7 | -173 | 131 | 0 | 0 | 125.9 | ||||
| 283 | S | 24.2 | Very low | 26.7 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | 95.2 | 96.7 | 132 | 165.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 284 | S | 23.8 | Very low | 26.6 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | 61.7 | 115.9 | 120.1 | 82.8 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 285 | K | 25.8 | Very low | 26.6 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | 165.5 | 136.7 | 103.9 | -90.5 | 172.3 | -177.2 | 173.4 | 0 | 111.4 | |||||
| 286 | T | 26.4 | Very low | 26.8 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -58.6 | 163.8 | 165.5 | 36.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 287 | P | 29.5 | Very low | 26.9 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | -140.7 | 144.8 | 107.5 | 33.9 | -18.7 | 0 | 0 | 0 | 115.3 | |||||
| 288 | N | 25.5 | Very low | 26.8 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -71.4 | 144.7 | 164.4 | -89.5 | -29.7 | 0 | 0 | 0 | 111.7 | ||||
| 289 | H | 28.1 | Very low | 26.9 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.676 | 77% | 0.773 | S | S | * | * | -176.2 | 130.7 | 109.2 | -126.9 | -4.7 | 0 | 0 | 0 | 114.8 | |||||
| 290 | K | 28.4 | Very low | 27 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | 52.7 | 144 | 133.5 | -85.4 | 177.1 | -174.8 | 159.2 | 0 | 120 | ||||
| 291 | Q | 26.4 | Very low | 27 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | cis | -175.6 | 157.5 | -1.9 | -162.3 | 176.1 | -8.9 | 0 | 0 | 107.8 | ||||
| 292 | K | 27.7 | Very low | 27.1 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | 96.6 | 110 | 146 | -109.6 | 173.7 | -180 | -83 | 0 | 121.6 | ||||
| 293 | E | 27.1 | Very low | 27.2 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | 58.4 | 122.9 | 129.4 | -76.4 | 166.2 | -170.5 | 0 | 0 | 121.7 | |||||
| 294 | G | 26.1 | Very low | 27.3 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 176 | 95.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 295 | D | 26.5 | Very low | 27.5 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -74.8 | 132.8 | -179.3 | -173.1 | 17.1 | 0 | 0 | 0 | 112.3 | ||||
| 296 | S | 30 | Very low | 27.6 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -162 | 118.7 | 151.2 | 57 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 297 | G | 26.6 | Very low | 27.7 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 156.1 | -160 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 298 | S | 26.5 | Very low | 27.6 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -111.2 | 116.3 | 168.1 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 299 | L | 28.8 | Very low | 27.6 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -85.3 | 140.8 | 156.3 | -76.4 | 150.7 | 0 | 0 | 0 | 105.8 | ||||
| 300 | D | 27.7 | Very low | 27.6 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | cis | -155.2 | 131.1 | 18.8 | -81.8 | -50.3 | 0 | 0 | 0 | 109.5 | ||||
| 301 | S | 28.1 | Very low | 27.5 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -158.2 | 100.3 | 157 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 302 | Y | 28.9 | Very low | 27.6 | Very low | 228 Ų | 228 | 143.9 Ų | 143.9 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -160.7 | 140.2 | 171.2 | -90.4 | -64.7 | 0 | 0 | 0 | 106.2 | ||||
| 303 | T | 29.5 | Very low | 27.6 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | cis | -161.3 | 137.6 | 36.3 | 29.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 304 | A | 26.5 | Very low | 27.7 | Very low | 92 Ų | 92 | 149 Ų | 149 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -111.1 | 134.1 | 144 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 305 | S | 27.7 | Very low | 27.8 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | 42.4 | 113.3 | 155.3 | -57.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 306 | R | 28.6 | Very low | 27.8 | Very low | 244 Ų | 244 | 149.1 Ų | 149.1 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | 172.4 | 112.6 | 125.3 | -96.1 | 170.5 | 102.8 | 129.3 | 6.6 | 111.2 | |||||
| 307 | E | 27.7 | Very low | 27.6 | Very low | 204 Ų | 204 | 146.1 Ų | 146.1 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | -135.5 | 105.8 | 149.8 | -77.8 | -167.7 | 163.3 | 0 | 0 | 109.8 | ||||
| 308 | S | 27.5 | Very low | 27.7 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | trans | -136.3 | 146 | 149 | 92.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 309 | L | 25.6 | Very low | 28 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | 72.5 | 98.3 | 172 | -79.4 | 137.7 | 0 | 0 | 0 | 118 | ||||
| 310 | V | 27.3 | Very low | 27.9 | Very low | 141 Ų | 141 | 149 Ų | 149 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -133.8 | 129.8 | 134.8 | -179 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 311 | K | 27 | Very low | 28 | Very low | 196 Ų | 196 | 150.4 Ų | 150.4 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | trans | -85.1 | 132.5 | 179.4 | -178.9 | -178.5 | -175.3 | 178.3 | 0 | 109.3 | ||||
| 312 | V | 28.1 | Very low | 28 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -128.3 | 146 | 169.7 | -180 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 313 | R | 28.3 | Very low | 28 | Very low | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -77.6 | 163.3 | -157.6 | -64.9 | 168.3 | 178.7 | 156.9 | -1 | 115.1 | ||||
| 314 | I | 29.2 | Very low | 28.1 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | trans | -102.3 | 146.4 | 175.8 | -64.6 | 171.6 | 0 | 0 | 0 | 111.1 | ||||
| 315 | G | 27.2 | Very low | 28.1 | Very low | 72 Ų | 72 | 150.1 Ų | 150.1 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | 124.5 | 129.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 316 | D | 27.8 | Very low | 28.1 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | cis | -168.6 | 157.4 | 22.9 | -166.5 | 7.2 | 0 | 0 | 0 | 110.3 | ||||
| 317 | G | 26.3 | Very low | 28.2 | Very low | 55 Ų | 55 | 150.5 Ų | 150.5 | 57% | 0.567 | 83% | 0.829 | S | S | * | * | trans | 96.4 | 88.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 318 | T | 28 | Very low | 28.2 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | trans | 47.7 | 121.1 | 136.3 | 62.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 319 | V | 32.1 | Very low | 28.1 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | 168.1 | 116.3 | 106 | 169 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 320 | D | 27.7 | Very low | 28.2 | Very low | 138 Ų | 138 | 153.5 Ų | 153.5 | 74% | 0.738 | 83% | 0.828 | S | S | * | * | trans | 27.9 | 134 | 148.3 | -68.9 | -13.7 | 0 | 0 | 0 | 127.8 | ||||
| 321 | Q | 28.3 | Very low | 28.2 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | trans | 77.1 | 101.6 | 141.8 | -73.3 | 178.8 | 43.7 | 0 | 0 | 121.4 | ||||
| 322 | S | 28.1 | Very low | 28.2 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | 167.8 | 130.9 | 96.4 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 323 | T | 30.2 | Very low | 28.1 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | 64.3 | 117.5 | 156.7 | 23 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 324 | V | 30.2 | Very low | 28.1 | Very low | 131 Ų | 131 | 145 Ų | 145 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -87.6 | 132.7 | -176.2 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 325 | N | 27.6 | Very low | 28.1 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -167.8 | 97.5 | 141.8 | -100.9 | -18.7 | 0 | 0 | 0 | 110.9 | ||||
| 326 | N | 27.9 | Very low | 28 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -90.1 | 119.3 | 168.7 | -89.8 | -17.8 | 0 | 0 | 0 | 109.9 | ||||
| 327 | K | 29.8 | Very low | 28.3 | Very low | 201 Ų | 201 | 151.5 Ų | 151.5 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -143.3 | 102.5 | 153.6 | -111.4 | -176.8 | -177.8 | 179.2 | 0 | 109.8 | ||||
| 328 | L | 27.7 | Very low | 28.3 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -69.9 | 131.2 | 163.7 | -150.1 | 96.5 | 0 | 0 | 0 | 108.4 | ||||
| 329 | L | 26.3 | Very low | 28.6 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -151.5 | 90 | 161.2 | -108.3 | 162.2 | 0 | 0 | 0 | 109.2 | K331 | L329-K331 PolarHBondContact O-N 3.4Š| ||
| 330 | Y | 27.3 | Very low | 28.5 | Very low | 218 Ų | 218 | 152 Ų | 152 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 112.1 | 156.5 | -102.7 | -93.7 | 0 | 0 | 0 | 107.5 | A332 | Y330-A332 PolarHBondContact O-N 2.75Å; Y330-A332 VanDerWaalsContact O-N 3.16Å | ||
| 331 | K | 26.6 | Very low | 28.9 | Very low | 199 Ų | 199 | 155.9 Ų | 155.9 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -74 | 96.8 | 169.1 | -95.4 | -177.7 | 172.5 | 177.7 | 0 | 108.6 | L329 S333 | L329-K331 PolarHBondContact O-N 3.4Å; K331-S333 PolarHBondContact O-N 3.1Å | ||
| 332 | A | 27.7 | Very low | 29.4 | Very low | 82 Ų | 82 | 154.5 Ų | 154.5 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -72.2 | 115.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y330 I334 | Y330-A332 PolarHBondContact O-N 2.75Å; Y330-A332 VanDerWaalsContact O-N 3.16Å; A332-I334 VanDerWaalsContact C-N 3.27Å; A332-I334 PolarHBondContact O-N 3.19Å | ||
| 333 | S | 26.6 | Very low | 29.7 | Very low | 114 Ų | 114 | 158 Ų | 158 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -70.3 | 88.1 | 171 | 53.7 | 0 | 0 | 0 | 0 | 109 | K331 M335 | K331-S333 PolarHBondContact O-N 3.1Å; S333-M335 PolarHBondContact O-N 3.43Å | ||
| 334 | I | 27.9 | Very low | 30.2 | Very low | 142 Ų | 142 | 160.2 Ų | 160.2 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | trans | -68.3 | 97.7 | 163.4 | -61.3 | 171.6 | 0 | 0 | 0 | 106.1 | A332 K336 | A332-I334 VanDerWaalsContact C-N 3.27Å; A332-I334 PolarHBondContact O-N 3.19Å; I334-K336 VanDerWaalsContact C-N 3.25Å; I334-K336 HydrophobicContact CG2-CG 4.24Å; I334-K336 PolarHBondContact O-N 2.85Å | ||
| 335 | M | 28.5 | Very low | 30.9 | Very low | 186 Ų | 186 | 160.4 Ų | 160.4 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -66.3 | 94.3 | 160.3 | -84 | -173.8 | 162 | 0 | 0 | 107.2 | S333 K337 | S333-M335 PolarHBondContact O-N 3.43Å; M335-K337 VanDerWaalsContact C-N 3.34Å; M335-K337 PolarHBondContact O-N 3.47Å | ||
| 336 | K | 25.7 | Very low | 32.1 | Very low | 174 Ų | 174 | 159.4 Ų | 159.4 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 99.7 | 163.3 | -84.2 | -178.7 | 174.4 | 178.3 | 0 | 107.4 | I334 T338 | I334-K336 VanDerWaalsContact C-N 3.25Å; I334-K336 HydrophobicContact CG2-CG 4.24Å; I334-K336 PolarHBondContact O-N 2.85Å; K336-T338 PolarHBondContact O-N 2.88Å | ||
| 337 | K | 34.8 | Very low | 33.6 | Very low | 201 Ų | 201 | 158.9 Ų | 158.9 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -72.1 | 79.2 | 159.5 | -150 | 174.9 | -172.9 | 179.4 | 0 | 106.1 | M335 S339 | M335-K337 VanDerWaalsContact C-N 3.34Å; M335-K337 PolarHBondContact O-N 3.47Å; K337-S339 PolarHBondContact O-N 3.41Å | ||
| 338 | T | 26.2 | Very low | 35.8 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | trans | -64.5 | 91.6 | 154.9 | 29.3 | 0 | 0 | 0 | 0 | 105 | K336 V340 | K336-T338 PolarHBondContact O-N 2.88Å; T338-V340 VanDerWaalsContact C-N 3.28Å; T338-V340 PolarHBondContact O-N 3.23Å | ||
| 339 | S | 33.3 | Very low | 38.6 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -52.9 | 105.9 | 157.6 | 57.1 | 0 | 0 | 0 | 0 | 105 | K337 R341 | K337-S339 PolarHBondContact O-N 3.41Å; S339-R341 PolarHBondContact O-N 3.02Å | ||
| 340 | V | 30.3 | Very low | 41.8 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 79% | 0.788 | 72% | 0.723 | S | S | * | * | trans | -60.6 | 94.5 | 158.9 | 174.7 | 0 | 0 | 0 | 0 | 103.1 | T338 K342 | T338-V340 VanDerWaalsContact C-N 3.28Å; T338-V340 PolarHBondContact O-N 3.23Å; V340-K342 PolarHBondContact O-N 3.12Å | ||
| 341 | R | 35.7 | Very low | 45 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | trans | -59 | 97.2 | 175.2 | -153.9 | 176.7 | -172.6 | -179.6 | 2.8 | 103.4 | S339 K343 | S339-R341 PolarHBondContact O-N 3.02Å; R341-K343 PolarHBondContact O-N 2.87Å | ||
| 342 | K | 38.8 | Very low | 48.3 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | trans | -49 | 121.6 | 167.1 | -85.4 | 176.3 | 179.3 | 161.2 | 0 | 104.1 | V340 K344 E578 | V340-K342 PolarHBondContact O-N 3.12Å; K342-K344 PolarHBondContact O-N 2.7Å; K342-K344 VanDerWaalsContact O-N 3.11Å; K342-E578 IonicContact NZ-OE2 2.85Å; K342-E578 PolarHBondContact NZ-OE2 3.17Å | ||
| 343 | K | 34.4 | Very low | 51.6 | Low | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | trans | -38.1 | 119.7 | -179.9 | -169.8 | 178.7 | -177.3 | -177.9 | 0 | 107.6 | R341 H345 | R341-K343 PolarHBondContact O-N 2.87Å; K343-H345 PolarHBondContact O-N 2.82Å | ||
| 344 | K | 40.2 | Very low | 55 | Low | 192 Ų | 192 | 128.6 Ų | 128.6 | 84% | 0.835 | 64% | 0.638 | S | S | * | * | trans | -39.7 | 112.2 | 174.2 | -167.9 | 178.9 | -176.1 | -176.9 | 0 | 106.8 | K342 T346 | K342-K344 PolarHBondContact O-N 2.7Å; K342-K344 VanDerWaalsContact O-N 3.11Å; K344-T346 PolarHBondContact O-N 3.38Å | ||
| 345 | H | 46 | Very low | 58.4 | Low | 135 Ų | 135 | 122.4 Ų | 122.4 | 63% | 0.625 | 61% | 0.607 | S | S | * | * | trans | -65 | 109.9 | 179.6 | -98.5 | -81.8 | 0 | 0 | 0 | 105.5 | K343 D347 | K343-H345 PolarHBondContact O-N 2.82Å; H345-D347 PolarHBondContact O-N 3.42Å | ||
| 346 | T | 52.7 | Low | 61.6 | Low | 140 Ų | 140 | 113.7 Ų | 113.7 | 86% | 0.859 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 5.4 | -169.3 | -31.5 | 0 | 0 | 0 | 0 | 113.9 | K344 | K344-T346 PolarHBondContact O-N 3.38Š|
| 347 | D | 60.1 | Low | 65 | Low | 154 Ų | 154 | 108.8 Ų | 108.8 | 82% | 0.824 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -18.3 | -166.2 | -134.3 | 17.8 | 0 | 0 | 0 | 114.3 | H345 | H345-D347 PolarHBondContact O-N 3.42Š|
| 348 | E | 76.2 | Confident | 68 | Low | 52 Ų | 52 | 99.2 Ų | 99.2 | 24% | 0.243 | 50% | 0.502 | C | S | . | . | trans | -105.2 | 139.2 | 179.4 | -66.6 | -68.2 | 166.1 | 0 | 0 | 110.9 | F350 K549 W551 | E348-F350 VanDerWaalsContact C-N 3.3Å; E348-F350 PolarHBondContact O-N 3.26Å; E348-K549 WeakPolarHBondContact OE1-CD 3.33Å; E348-K549 WeakPolarHBondContact OE1-CE 3.34Å; E348-K549 IonicContact OE1-NZ 2.63Å; E348-K549 PolarHBondContact OE1-NZ 3.14Å; E348-K549 IonicContact OE2-NZ 3.76Å; E348-K549 PolarHBondContact OE2-NZ 2.68Å; E348-W551 PolarHBondContact OE1-NE1 3.31Å | ||
| 349 | T | 86.2 | Confident | 71.3 | Confident | 138 Ų | 138 | 94 Ų | 94 | 85% | 0.847 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -81.3 | -9.1 | -175.4 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 350 | F | 92.8 | Very high | 74.2 | Confident | 21 Ų | 21 | 90.1 Ų | 90.1 | 9% | 0.092 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -139.2 | 161.1 | -173.6 | 62.8 | -96.8 | 0 | 0 | 0 | 112.5 | E348 H352 P540 W551 V631 F634 | E348-F350 VanDerWaalsContact C-N 3.3Å; E348-F350 PolarHBondContact O-N 3.26Å; F350-H352 HydrophobicContact CE2-CB 4.4Å; F350-P540 HydrophobicContact CE2-CB 4.43Å; F350-P540 HydrophobicContact CZ-CB 3.84Å; F350-W551 HydrophobicContact CE2-CH2 4.12Å; F350-W551 AromaticContact CE2-CZ2 3.91Å; F350-W551 HydrophobicContact CE2-CZ2 3.91Å; F350-W551 HydrophobicContact CZ-CH2 4.32Å; F350-W551 AromaticContact CZ-CZ2 3.82Å; F350-W551 HydrophobicContact CZ-CZ2 3.82Å; F350-V631 HydrophobicContact CB-CB 4.32Å; F350-V631 HydrophobicContact CB-CG1 4.19Å; F350-V631 WeakPolarHBondContact CB-O 3.11Å; F350-V631 HydrophobicContact CD1-CB 3.94Å; F350-V631 HydrophobicContact CD1-CG1 4.1Å; F350-V631 HydrophobicContact CD2-CB 4.43Å; F350-V631 HydrophobicContact CD2-CG1 3.7Å; F350-V631 HydrophobicContact CE1-CB 4.34Å; F350-V631 HydrophobicContact CE1-CG1 4.39Å; F350-V631 HydrophobicContact CE2-CG1 4.03Å; F350-V631 HydrophobicContact CG-CB 4Å; F350-V631 HydrophobicContact CG-CG1 3.74Å; F350-V631 HydrophobicContact CZ-CG1 4.36Å; F350-F634 HydrophobicContact CD2-CB 4.29Å; F350-F634 HydrophobicContact CE2-CB 3.82Å |
| 351 | D | 94.5 | Very high | 77.2 | Confident | 121 Ų | 121 | 86.8 Ų | 86.8 | 65% | 0.647 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 134.8 | -179.6 | -74.2 | -31.6 | 0 | 0 | 0 | 110.6 | E632 E633 F634 | D351-E632 PolarHBondContact N-O 3.22Å; D351-E633 CarbonylContact O-C 3.57Å; D351-E633 VanDerWaalsContact O-CA 3.23Å; D351-E633 WeakPolarHBondContact O-CA 3.46Å; D351-F634 PolarHBondContact O-N 3.07Å |
| 352 | H | 96.4 | Very high | 80.1 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.9 | 175.8 | 61.5 | 71.5 | 0 | 0 | 0 | 111.8 | F350 W551 F634 | F350-H352 HydrophobicContact CE2-CB 4.4Å; H352-W551 HydrophobicContact CB-CD2 3.99Å; H352-W551 HydrophobicContact CB-CE3 3.81Å; H352-W551 HydrophobicContact CB-CH2 4.23Å; H352-W551 HydrophobicContact CB-CZ2 4.38Å; H352-W551 HydrophobicContact CB-CZ3 3.94Å; H352-W551 AromaticContact CD2-CD1 3.81Å; H352-W551 AromaticContact CD2-CD2 3.99Å; H352-W551 AromaticContact CD2-CE2 3.97Å; H352-W551 AromaticContact CD2-CG 3.93Å; H352-W551 AromaticContact CD2-NE1 3.82Å; H352-W551 VanDerWaalsContact CE1-CB 3.49Å; H352-W551 WeakPolarHBondContact CE1-CB 3.16Å; H352-W551 AromaticContact CE1-CD1 3.84Å; H352-W551 AromaticContact CE1-CG 3.58Å; H352-W551 AromaticContact CG-CD2 3.64Å; H352-W551 AromaticContact CG-CE2 3.98Å; H352-W551 AromaticContact CG-CE3 3.92Å; H352-W551 AromaticContact CG-CG 3.82Å; H352-W551 AromaticContact ND1-CD2 3.81Å; H352-W551 AromaticContact ND1-CG 3.6Å; H352-W551 AromaticContact NE2-CD1 3.61Å; H352-W551 AromaticContact NE2-CG 3.79Å; H352-F634 VanDerWaalsContact CA-O 3.22Å; H352-F634 WeakPolarHBondContact CA-O 3.38Å |
| 353 | E | 96.7 | Very high | 82.9 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 162.4 | -177.5 | 63.8 | 168.9 | -154.3 | 0 | 0 | 114.9 | S355 F634 S635 F636 | E353-S355 VanDerWaalsContact OE1-CB 3.23Å; E353-S355 WeakPolarHBondContact OE1-CB 3.39Å; E353-S355 PolarHBondContact OE1-OG 3.21Å; E353-F634 PolarHBondContact N-O 3.12Å; E353-S635 VanDerWaalsContact O-CA 3.25Å; E353-S635 WeakPolarHBondContact O-CA 3.23Å; E353-F636 PolarHBondContact O-N 3.24Å |
| 354 | I | 98.4 | Very high | 85.9 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.4 | 159 | -56.6 | 170.2 | 0 | 0 | 0 | 105.2 | I553 Q574 L577 E578 F636 T638 | I354-I553 HydrophobicContact CD1-CD1 3.82Å; I354-I553 HydrophobicContact CD1-CG2 4.47Å; I354-I553 HydrophobicContact CG1-CD1 3.96Å; I354-Q574 HydrophobicContact CG2-CG 4.12Å; I354-Q574 PolarHBondContact O-NE2 2.89Å; I354-L577 HydrophobicContact CD1-CB 3.91Å; I354-L577 WeakPolarHBondContact CD1-O 3.46Å; I354-L577 HydrophobicContact CG2-CB 4.4Å; I354-E578 HydrophobicContact CD1-CG 4.18Å; I354-F636 CarbonylContact C-O 3.54Å; I354-F636 VanDerWaalsContact CA-O 3.3Å; I354-F636 WeakPolarHBondContact CA-O 3.27Å; I354-T638 HydrophobicContact CG2-CG2 3.78Å |
| 355 | S | 97.8 | Very high | 88.7 | Confident | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133 | -170.4 | -153.3 | 0 | 0 | 0 | 0 | 112 | E353 F357 F636 I637 T638 | E353-S355 VanDerWaalsContact OE1-CB 3.23Å; E353-S355 WeakPolarHBondContact OE1-CB 3.39Å; E353-S355 PolarHBondContact OE1-OG 3.21Å; S355-F357 PolarHBondContact O-N 3.25Å; S355-F357 VanDerWaalsContact O-N 3.12Å; S355-F357 PolarHBondContact OG-O 2.69Å; S355-F636 PolarHBondContact N-O 3.47Å; S355-I637 CarbonylContact O-C 3.55Å; S355-I637 VanDerWaalsContact O-CA 3.3Å; S355-I637 WeakPolarHBondContact O-CA 3.46Å; S355-T638 PolarHBondContact O-N 2.91Å; S355-T638 PolarHBondContact O-OG1 3.08Å |
| 356 | A | 97.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -70.8 | -1.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | P570 D571 T638 Q639 | A356-P570 HydrophobicContact CB-CB 4.11Å; A356-D571 WeakPolarHBondContact CB-OD1 3.5Å; A356-T638 WeakPolarHBondContact CA-OG1 3.45Å; A356-Q639 WeakPolarHBondContact O-CA 3.4Å; A356-Q639 VanDerWaalsContact O-CB 3.3Å; A356-Q639 WeakPolarHBondContact O-CB 3.27Å; A356-Q639 WeakPolarHBondContact O-CG 3.4Å |
| 357 | F | 97.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 39 Ų | 39 | 31% | 0.311 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -140.4 | 149.1 | -175 | -58.1 | -86.5 | 0 | 0 | 0 | 110.7 | S355 | S355-F357 PolarHBondContact O-N 3.25Å; S355-F357 VanDerWaalsContact O-N 3.12Å; S355-F357 PolarHBondContact OG-O 2.69Å |
| 358 | F | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 145.6 | 158.4 | -81.6 | -93.5 | 0 | 0 | 0 | 109.4 | I158 G161 L362 L365 I637 Q639 L640 P648 | I158-F358 HydrophobicContact CB-CD2 4.4Å; I158-F358 HydrophobicContact CB-CE2 4.41Å; I158-F358 HydrophobicContact CD1-CE2 4.42Å; I158-F358 HydrophobicContact CD1-CZ 4.25Å; I158-F358 HydrophobicContact CG1-CD2 3.91Å; I158-F358 HydrophobicContact CG1-CE1 4.33Å; I158-F358 HydrophobicContact CG1-CE2 3.46Å; I158-F358 VanDerWaalsContact CG1-CE2 3.46Å; I158-F358 HydrophobicContact CG1-CZ 3.7Å; G161-F358 CarbonylContact C-O 3.52Å; F358-L362 HydrophobicContact CD1-CD2 4.02Å; F358-L365 HydrophobicContact CE1-CD1 4.1Å; F358-I637 HydrophobicContact CD1-CD1 3.65Å; F358-I637 HydrophobicContact CD2-CG2 3.91Å; F358-I637 HydrophobicContact CE1-CD1 3.88Å; F358-I637 HydrophobicContact CE2-CG2 4.03Å; F358-I637 HydrophobicContact CG-CD1 4.09Å; F358-I637 HydrophobicContact CG-CG2 4.27Å; F358-I637 HydrophobicContact CZ-CD1 4.49Å; F358-Q639 HydrophobicContact CD2-CB 4.12Å; F358-Q639 VanDerWaalsContact CD2-OE1 3.31Å; F358-Q639 HydrophobicContact CE2-CB 4.44Å; F358-L640 HydrophobicContact CE2-CD1 4.18Å; F358-L640 HydrophobicContact CE2-CD2 4.01Å; F358-L640 HydrophobicContact CE2-CG 3.89Å; F358-L640 HydrophobicContact CZ-CD1 4.22Å; F358-L640 HydrophobicContact CZ-CG 4.39Å; F358-P648 HydrophobicContact CE1-CB 3.81Å; F358-P648 HydrophobicContact CE1-CG 4.34Å; F358-P648 HydrophobicContact CE2-CB 4.35Å; F358-P648 HydrophobicContact CE2-CG 4.05Å; F358-P648 HydrophobicContact CZ-CB 3.49Å; F358-P648 VanDerWaalsContact CZ-CB 3.49Å; F358-P648 HydrophobicContact CZ-CG 3.51Å |
| 359 | P | 95.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 142.2 | -178.8 | 26.2 | -36.6 | 0 | 0 | 0 | 110.7 | C125 L362 A650 | C125-P359 WeakPolarHBondContact SG-CG 3.3Å; P359-L362 HydrophobicContact CG-CD1 4.14Å; P359-A650 HydrophobicContact CG-CB 3.73Å |
| 360 | A | 93.2 | Very high | 96.9 | Very high | 12 Ų | 12 | 24 Ų | 24 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 147.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | R164 Q166 R652 | R164-A360 HydrophobicContact CB-CB 4.26Å; R164-A360 VanDerWaalsContact O-CB 3.25Å; R164-A360 WeakPolarHBondContact O-CB 3.44Å; Q166-A360 HydrophobicContact CB-CB 4.32Å; A360-R652 PolarHBondContact O-NH2 3.06Å |
| 361 | N | 92.8 | Very high | 97 | Very high | 59 Ų | 59 | 24 Ų | 24 | 32% | 0.316 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 46.7 | -179 | -55.9 | -44.8 | 0 | 0 | 0 | 112.3 | C125 A162 Q166 D363 Y386 | C125-N361 VanDerWaalsContact CB-O 3.3Å; C125-N361 WeakPolarHBondContact CB-O 3.37Å; A162-N361 PolarHBondContact O-N 2.94Å; Q166-N361 PolarHBondContact OE1-ND2 3.45Å; N361-D363 PolarHBondContact O-N 3.18Å; N361-Y386 VanDerWaalsContact CA-OH 3.3Å; N361-Y386 WeakPolarHBondContact CA-OH 3.39Å |
| 362 | L | 96.6 | Very high | 97 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -65.8 | 124.8 | 173.1 | -176.9 | 60.6 | 0 | 0 | 0 | 109.5 | C125 A162 F358 P359 F364 L365 Y386 F387 R417 | C125-L362 HydrophobicContact CB-CD1 4.44Å; A162-L362 HydrophobicContact CB-CB 3.74Å; A162-L362 HydrophobicContact CB-CD2 4.44Å; F358-L362 HydrophobicContact CD1-CD2 4.02Å; P359-L362 HydrophobicContact CG-CD1 4.14Å; L362-F364 WeakPolarHBondContact CD1-O 3.44Å; L362-L365 HydrophobicContact CD2-CB 4.32Å; L362-L365 HydrophobicContact CD2-CD1 4.16Å; L362-Y386 PolarHBondContact N-OH 3.25Å; L362-Y386 WeakPolarHBondContact O-CE1 3.31Å; L362-Y386 PolarHBondContact O-OH 2.62Å; L362-F387 HydrophobicContact CB-CZ 4.39Å; L362-F387 HydrophobicContact CD2-CZ 3.88Å; L362-F387 HydrophobicContact CG-CE1 4.47Å; L362-F387 HydrophobicContact CG-CZ 3.96Å; L362-R417 VanDerWaalsContact O-CD 3.22Å; L362-R417 WeakPolarHBondContact O-CD 3.42Å | ||
| 363 | D | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | trans | -98.5 | -35.3 | -175.5 | -62.2 | -55.6 | 0 | 0 | 0 | 112.2 | F124 C125 N361 S416 R417 Y418 | F124-D363 WeakPolarHBondContact CA-OD2 3.07Å; C125-D363 PolarHBondContact N-OD2 3.04Å; C125-D363 WeakPolarHBondContact O-CA 3.08Å; C125-D363 WeakPolarHBondContact O-CB 3.3Å; C125-D363 PolarHBondContact O-N 2.93Å; N361-D363 PolarHBondContact O-N 3.18Å; D363-S416 WeakPolarHBondContact O-CA 3.42Å; D363-R417 PolarHBondContact O-N 3.42Å; D363-Y418 HydrophobicContact CB-CD2 4.2Å; D363-Y418 HydrophobicContact CB-CE2 3.94Å | ||
| 364 | F | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134 | -175.7 | -50.6 | -73.3 | 0 | 0 | 0 | 110.8 | F124 C125 F126 G127 L362 F414 A415 S416 Y418 V447 V449 I462 F509 | F124-F364 HydrophobicContact CB-CE2 4.28Å; F124-F364 HydrophobicContact CD1-CE2 4.04Å; F124-F364 HydrophobicContact CD1-CZ 4.5Å; C125-F364 PolarHBondContact O-N 3.34Å; F126-F364 CarbonylContact C-O 3.49Å; F126-F364 WeakPolarHBondContact CA-O 3.22Å; F126-F364 HydrophobicContact CD1-CB 3.9Å; F126-F364 AromaticContact CD1-CD2 3.54Å; F126-F364 HydrophobicContact CD1-CD2 3.54Å; F126-F364 HydrophobicContact CD1-CE2 4.45Å; F126-F364 HydrophobicContact CD1-CG 4.04Å; F126-F364 HydrophobicContact CE1-CB 4.4Å; F126-F364 AromaticContact CE1-CD2 3.28Å; F126-F364 HydrophobicContact CE1-CD2 3.28Å; F126-F364 AromaticContact CE1-CE2 3.78Å; F126-F364 HydrophobicContact CE1-CE2 3.78Å; F126-F364 HydrophobicContact CE1-CG 4.04Å; F126-F364 HydrophobicContact CG-CD2 4.3Å; F126-F364 AromaticContact CZ-CD2 3.86Å; F126-F364 HydrophobicContact CZ-CD2 3.86Å; F126-F364 HydrophobicContact CZ-CE2 4.01Å; G127-F364 PolarHBondContact N-O 2.9Å; L362-F364 WeakPolarHBondContact CD1-O 3.44Å; F364-F414 HydrophobicContact CB-CE2 4.19Å; F364-F414 HydrophobicContact CB-CZ 4.45Å; F364-F414 HydrophobicContact CD1-CE2 4.37Å; F364-F414 AromaticContact CD1-CZ 3.83Å; F364-F414 HydrophobicContact CD1-CZ 3.83Å; F364-A415 WeakPolarHBondContact CA-O 3.44Å; F364-S416 WeakPolarHBondContact CD1-OG 3.45Å; F364-S416 WeakPolarHBondContact CE1-OG 3.47Å; F364-Y418 AromaticContact CE1-CD2 3.93Å; F364-Y418 HydrophobicContact CE1-CD2 3.93Å; F364-Y418 HydrophobicContact CE1-CG 4.4Å; F364-Y418 HydrophobicContact CE2-CD2 4.37Å; F364-Y418 AromaticContact CZ-CD2 3.58Å; F364-Y418 HydrophobicContact CZ-CD2 3.58Å; F364-Y418 HydrophobicContact CZ-CE2 4.3Å; F364-Y418 HydrophobicContact CZ-CG 4.21Å; F364-V447 HydrophobicContact CE1-CB 4.21Å; F364-V447 HydrophobicContact CE1-CG1 4.12Å; F364-V447 HydrophobicContact CE1-CG2 3.78Å; F364-V447 HydrophobicContact CZ-CG2 3.96Å; F364-V449 HydrophobicContact CZ-CG1 3.95Å; F364-I462 HydrophobicContact CB-CD1 3.86Å; F364-I462 HydrophobicContact CD1-CD1 3.31Å; F364-I462 HydrophobicContact CD2-CD1 3.9Å; F364-I462 HydrophobicContact CE1-CD1 3.74Å; F364-I462 HydrophobicContact CE2-CD1 4.28Å; F364-I462 HydrophobicContact CG-CD1 3.39Å; F364-I462 HydrophobicContact CZ-CD1 4.22Å; F364-F509 HydrophobicContact CD2-CZ 4.47Å; F364-F509 HydrophobicContact CE2-CE1 4.16Å; F364-F509 HydrophobicContact CE2-CE2 4.22Å; F364-F509 AromaticContact CE2-CZ 3.53Å; F364-F509 HydrophobicContact CE2-CZ 3.53Å; F364-F509 HydrophobicContact CZ-CE1 4.42Å; F364-F509 HydrophobicContact CZ-CE2 4.43Å; F364-F509 AromaticContact CZ-CZ 3.62Å; F364-F509 HydrophobicContact CZ-CZ 3.62Å |
| 365 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.5 | 179.1 | 177.6 | 72.1 | 0 | 0 | 0 | 110.3 | G127 I158 F358 L362 L367 L383 F387 F414 A415 | G127-L365 CarbonylContact O-C 3.48Å; G127-L365 WeakPolarHBondContact O-CA 3.36Å; I158-L365 HydrophobicContact CD1-CD2 4.2Å; I158-L365 HydrophobicContact CG2-CD2 3.75Å; F358-L365 HydrophobicContact CE1-CD1 4.1Å; L362-L365 HydrophobicContact CD2-CB 4.32Å; L362-L365 HydrophobicContact CD2-CD1 4.16Å; L365-L367 HydrophobicContact CD1-CD2 3.78Å; L365-L367 HydrophobicContact CD2-CD1 4.16Å; L365-L367 HydrophobicContact CD2-CD2 4.03Å; L365-L367 HydrophobicContact CD2-CG 4.12Å; L365-L367 HydrophobicContact CG-CD2 3.83Å; L365-L367 HydrophobicContact CG-CG 4.04Å; L365-L383 HydrophobicContact CD2-CD1 4.22Å; L365-L383 HydrophobicContact CD2-CD2 4.01Å; L365-F387 HydrophobicContact CB-CE1 4.5Å; L365-F387 HydrophobicContact CB-CE2 4.24Å; L365-F387 HydrophobicContact CB-CZ 3.9Å; L365-F387 HydrophobicContact CD2-CE2 4.01Å; L365-F387 HydrophobicContact CD2-CZ 4.44Å; L365-F414 CarbonylContact O-C 3.36Å; L365-F414 WeakPolarHBondContact O-CA 3.19Å; L365-A415 HydrophobicContact CB-CB 4.31Å; L365-A415 PolarHBondContact N-O 3.25Å; L365-A415 PolarHBondContact O-N 3.18Å |
| 366 | C | 98.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.8 | 176.8 | -65.5 | 0 | 0 | 0 | 0 | 109.6 | G127 S128 A129 C464 C513 | G127-C366 PolarHBondContact O-N 3.18Å; S128-C366 CarbonylContact C-O 3.55Å; S128-C366 WeakPolarHBondContact CA-O 3.46Å; S128-C366 PolarHBondContact OG-O 3.26Å; A129-C366 PolarHBondContact N-O 2.78Å; C366-C464 HydrophobicContact CB-CB 3.89Å; C366-C513 WeakPolarHBondContact CB-SG 3.29Å; C366-C513 PolarHBondContact SG-SG 3.42Å |
| 367 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.1 | -180 | -55.6 | -178.4 | 0 | 0 | 0 | 111 | A129 V131 I158 L365 V370 L379 L383 L412 L413 | A129-L367 HydrophobicContact CB-CD2 3.75Å; A129-L367 CarbonylContact O-C 3.56Å; A129-L367 VanDerWaalsContact O-CA 3.27Å; A129-L367 WeakPolarHBondContact O-CA 3.4Å; V131-L367 HydrophobicContact CG1-CD2 4.05Å; I158-L367 HydrophobicContact CD1-CD2 4.43Å; L365-L367 HydrophobicContact CD1-CD2 3.78Å; L365-L367 HydrophobicContact CD2-CD1 4.16Å; L365-L367 HydrophobicContact CD2-CD2 4.03Å; L365-L367 HydrophobicContact CD2-CG 4.12Å; L365-L367 HydrophobicContact CG-CD2 3.83Å; L365-L367 HydrophobicContact CG-CG 4.04Å; L367-V370 HydrophobicContact CB-CG2 3.79Å; L367-V370 HydrophobicContact CD1-CG2 4.49Å; L367-L379 HydrophobicContact CD1-CD2 3.67Å; L367-L379 HydrophobicContact CD1-CG 4.44Å; L367-L383 HydrophobicContact CD1-CD1 4.22Å; L367-L412 WeakPolarHBondContact O-CA 3.22Å; L367-L413 HydrophobicContact CB-CB 4.26Å; L367-L413 HydrophobicContact CD1-CD2 4.06Å; L367-L413 HydrophobicContact CG-CD2 4.43Å; L367-L413 PolarHBondContact N-O 3.48Å; L367-L413 PolarHBondContact O-N 3.2Å |
| 368 | Q | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 158.4 | 173.1 | -56.1 | 78.3 | 42.6 | 0 | 0 | 110.5 | S128 A129 N130 V131 V370 G411 L412 C464 H466 D515 | S128-Q368 PolarHBondContact OG-NE2 3.19Å; S128-Q368 VanDerWaalsContact OG-NE2 3.07Å; S128-Q368 PolarHBondContact OG-OE1 2.92Å; A129-Q368 PolarHBondContact O-N 2.91Å; A129-Q368 PolarHBondContact O-OE1 2.91Å; N130-Q368 HydrophobicContact CB-CB 4.19Å; V131-Q368 VanDerWaalsContact CG2-O 3.28Å; V131-Q368 WeakPolarHBondContact CG2-O 3.42Å; V131-Q368 PolarHBondContact N-O 2.82Å; Q368-V370 VanDerWaalsContact C-N 3.33Å; Q368-V370 PolarHBondContact O-N 2.86Å; Q368-G411 CarbonylContact C-O 3.59Å; Q368-G411 WeakPolarHBondContact CA-O 3.46Å; Q368-L412 HydrophobicContact CG-CD2 4.01Å; Q368-C464 PolarHBondContact NE2-SG 3.23Å; Q368-H466 HydrophobicContact CG-CB 4.26Å; Q368-D515 HydrophobicContact CG-CB 4.31Å |
| 369 | E | 97.3 | Very high | 96.7 | Very high | 21 Ų | 21 | 19.2 Ų | 19.2 | 10% | 0.098 | 9% | 0.091 | C | C | . | . | trans | 58.8 | 32.6 | -178.5 | -56.3 | -165.3 | -173.8 | 0 | 0 | 116.5 | N130 C132 L133 L134 F371 G411 H466 | N130-E369 VanDerWaalsContact ND2-CD 3.28Å; N130-E369 WeakPolarHBondContact ND2-CG 3.23Å; N130-E369 PolarHBondContact ND2-OE1 3.29Å; N130-E369 VanDerWaalsContact OD1-CB 3.26Å; N130-E369 WeakPolarHBondContact OD1-CB 3.16Å; N130-E369 WeakPolarHBondContact OD1-CG 3.08Å; C132-E369 WeakPolarHBondContact CA-OE2 3.36Å; C132-E369 PolarHBondContact SG-OE2 2.87Å; L133-E369 CarbonylContact C-O 3.6Å; L133-E369 WeakPolarHBondContact CA-O 3.33Å; L133-E369 WeakPolarHBondContact CB-O 3.43Å; L133-E369 PolarHBondContact N-O 2.83Å; L134-E369 WeakPolarHBondContact CD1-OE2 3.16Å; E369-F371 HydrophobicContact CB-CD2 3.92Å; E369-F371 HydrophobicContact CB-CE2 3.67Å; E369-F371 HydrophobicContact CG-CD2 4.36Å; E369-F371 HydrophobicContact CG-CE2 3.61Å; E369-F371 HydrophobicContact CG-CZ 4.23Å; E369-F371 PolarHBondContact O-N 2.85Å; E369-G411 PolarHBondContact N-O 3.42Å; E369-H466 IonicContact OE1-CE1 2.93Å; E369-H466 PolarHBondContact OE1-CE1 3.26Å | ||
| 370 | V | 97.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.036 | 9% | 0.093 | C | C | . | . | trans | -81.8 | 60.7 | 168.6 | -164.7 | 0 | 0 | 0 | 0 | 110.6 | V131 L133 L367 Q368 A376 L379 G411 L413 | V131-V370 HydrophobicContact CG2-CG2 3.69Å; L133-V370 HydrophobicContact CD1-CG1 4.38Å; L367-V370 HydrophobicContact CB-CG2 3.79Å; L367-V370 HydrophobicContact CD1-CG2 4.49Å; Q368-V370 VanDerWaalsContact C-N 3.33Å; Q368-V370 PolarHBondContact O-N 2.86Å; V370-A376 HydrophobicContact CG1-CB 3.57Å; V370-L379 HydrophobicContact CG1-CD2 4.09Å; V370-L379 HydrophobicContact CG2-CD2 4.22Å; V370-G411 PolarHBondContact N-O 3.22Å; V370-L413 HydrophobicContact CB-CB 4.39Å; V370-L413 HydrophobicContact CG1-CD1 4.25Å; V370-L413 HydrophobicContact CG2-CB 3.99Å | ||
| 371 | F | 95.1 | Very high | 97 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 9% | 0.092 | 11% | 0.112 | C | C | . | . | trans | -84.2 | -44.3 | -170.3 | -65 | -61.3 | 0 | 0 | 0 | 114.5 | L133 L134 E369 K373 V408 N409 A438 | L133-F371 PolarHBondContact O-N 2.77Å; L134-F371 HydrophobicContact CD2-CD2 3.72Å; L134-F371 HydrophobicContact CD2-CE2 3.93Å; L134-F371 HydrophobicContact CG-CD2 3.89Å; L134-F371 HydrophobicContact CG-CE2 4.43Å; E369-F371 HydrophobicContact CB-CD2 3.92Å; E369-F371 HydrophobicContact CB-CE2 3.67Å; E369-F371 HydrophobicContact CG-CD2 4.36Å; E369-F371 HydrophobicContact CG-CE2 3.61Å; E369-F371 HydrophobicContact CG-CZ 4.23Å; E369-F371 PolarHBondContact O-N 2.85Å; F371-K373 PolarHBondContact O-N 3.02Å; F371-V408 HydrophobicContact CB-CG1 3.89Å; F371-V408 HydrophobicContact CD1-CG1 3.41Å; F371-V408 VanDerWaalsContact CD1-CG1 3.41Å; F371-V408 HydrophobicContact CE1-CG1 4.11Å; F371-V408 HydrophobicContact CG-CG1 3.86Å; F371-N409 WeakPolarHBondContact CD1-OD1 3.42Å; F371-N409 WeakPolarHBondContact CE1-O 3.23Å; F371-A438 HydrophobicContact CE1-CB 4.49Å | ||
| 372 | D | 95.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | trans | -70.4 | 116.5 | 179.3 | 179 | -71.9 | 0 | 0 | 0 | 109.8 | Y28 L133 T147 Q148 R374 A375 A376 | Y28-D372 PolarHBondContact OH-OD2 3.24Å; L133-D372 PolarHBondContact O-N 3Å; T147-D372 HydrophobicContact CG2-CB 4.17Å; Q148-D372 VanDerWaalsContact NE2-CG 3.34Å; Q148-D372 PolarHBondContact NE2-OD1 3.29Å; D372-R374 VanDerWaalsContact C-N 3.27Å; D372-R374 PolarHBondContact O-N 2.84Å; D372-R374 WeakPolarHBondContact OD1-CA 3.21Å; D372-R374 WeakPolarHBondContact OD1-CB 3.46Å; D372-R374 PolarHBondContact OD1-N 2.84Å; D372-R374 IonicContact OD1-NE 2.75Å; D372-R374 IonicContact OD2-CZ 3.7Å; D372-R374 IonicContact OD2-NE 3.92Å; D372-R374 IonicContact OD2-NH2 3.43Å; D372-R374 PolarHBondContact OD2-NH2 2.99Å; D372-A375 HydrophobicContact CB-CB 3.94Å; D372-A375 WeakPolarHBondContact O-CB 3.26Å; D372-A375 PolarHBondContact O-N 3.2Å; D372-A375 PolarHBondContact OD1-N 3.35Å; D372-A376 WeakPolarHBondContact O-CB 3.27Å; D372-A376 PolarHBondContact O-N 2.88Å | ||
| 373 | K | 92.9 | Very high | 97.2 | Very high | 55 Ų | 55 | 23.4 Ų | 23.4 | 24% | 0.239 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59 | -34.6 | -175.1 | -64.3 | -176.5 | -178.9 | -104.2 | 0 | 113.7 | F371 A376 E377 D393 Y397 | F371-K373 PolarHBondContact O-N 3.02Å; K373-A376 WeakPolarHBondContact O-CB 3.24Å; K373-A376 PolarHBondContact O-N 3.44Å; K373-E377 WeakPolarHBondContact O-CG 3.27Å; K373-E377 PolarHBondContact O-N 3.47Å; K373-D393 IonicContact NZ-OD1 3.87Å; K373-D393 PolarHBondContact NZ-OD1 2.8Å; K373-D393 IonicContact NZ-OD2 3.08Å; K373-D393 PolarHBondContact NZ-OD2 3.43Å; K373-Y397 WeakPolarHBondContact CE-OH 3.44Å; K373-Y397 PolarHBondContact NZ-OH 2.82Å |
| 374 | R | 95.1 | Very high | 97.2 | Very high | 74 Ų | 74 | 24 Ų | 24 | 28% | 0.279 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -76.6 | -35.6 | -178.4 | -60.1 | 167.9 | -65.5 | 169.8 | -1 | 110.9 | F25 D372 K378 | F25-R374 VanDerWaalsContact CE2-NH1 3.31Å; D372-R374 VanDerWaalsContact C-N 3.27Å; D372-R374 PolarHBondContact O-N 2.84Å; D372-R374 WeakPolarHBondContact OD1-CA 3.21Å; D372-R374 WeakPolarHBondContact OD1-CB 3.46Å; D372-R374 PolarHBondContact OD1-N 2.84Å; D372-R374 IonicContact OD1-NE 2.75Å; D372-R374 IonicContact OD2-CZ 3.7Å; D372-R374 IonicContact OD2-NE 3.92Å; D372-R374 IonicContact OD2-NH2 3.43Å; D372-R374 PolarHBondContact OD2-NH2 2.99Å; R374-K378 WeakPolarHBondContact O-CG 3.43Å; R374-K378 PolarHBondContact O-N 2.96Å; R374-K378 VanDerWaalsContact O-N 3.15Å |
| 375 | A | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L133 T147 A151 D372 E377 K378 L379 | L133-A375 HydrophobicContact CB-CB 4.39Å; L133-A375 HydrophobicContact CD1-CB 4.46Å; T147-A375 HydrophobicContact CG2-CB 3.71Å; A151-A375 HydrophobicContact CB-CB 3.77Å; A151-A375 VanDerWaalsContact CB-O 3.31Å; A151-A375 WeakPolarHBondContact CB-O 3.44Å; D372-A375 HydrophobicContact CB-CB 3.94Å; D372-A375 WeakPolarHBondContact O-CB 3.26Å; D372-A375 PolarHBondContact O-N 3.2Å; D372-A375 PolarHBondContact OD1-N 3.35Å; A375-E377 PolarHBondContact O-N 3.03Å; A375-K378 PolarHBondContact O-N 3.5Å; A375-L379 WeakPolarHBondContact O-CB 3.48Å; A375-L379 PolarHBondContact O-N 2.79Å |
| 376 | A | 97.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V370 D372 K373 L379 K380 | V370-A376 HydrophobicContact CG1-CB 3.57Å; D372-A376 WeakPolarHBondContact O-CB 3.27Å; D372-A376 PolarHBondContact O-N 2.88Å; K373-A376 WeakPolarHBondContact O-CB 3.24Å; K373-A376 PolarHBondContact O-N 3.44Å; A376-L379 PolarHBondContact O-N 2.82Å; A376-K380 VanDerWaalsContact O-CB 3.31Å; A376-K380 WeakPolarHBondContact O-CB 3.49Å; A376-K380 PolarHBondContact O-N 2.81Å |
| 377 | E | 96.5 | Very high | 96.6 | Very high | 63 Ų | 63 | 32 Ų | 32 | 29% | 0.294 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 175.8 | -73.4 | -66 | 158.1 | 0 | 0 | 111.9 | K373 A375 L379 K380 E381 Y392 | K373-E377 WeakPolarHBondContact O-CG 3.27Å; K373-E377 PolarHBondContact O-N 3.47Å; A375-E377 PolarHBondContact O-N 3.03Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 2.8Å; E377-K380 WeakPolarHBondContact O-CB 3.36Å; E377-K380 PolarHBondContact O-N 2.94Å; E377-K380 IonicContact OE1-NZ 2.75Å; E377-K380 PolarHBondContact OE1-NZ 3.07Å; E377-K380 WeakPolarHBondContact OE2-CE 3.35Å; E377-K380 IonicContact OE2-NZ 3.68Å; E377-K380 PolarHBondContact OE2-NZ 2.82Å; E377-E381 WeakPolarHBondContact O-CG 3.33Å; E377-E381 PolarHBondContact O-N 2.68Å; E377-Y392 WeakPolarHBondContact OE1-CE2 3.23Å; E377-Y392 VanDerWaalsContact OE1-CZ 3.24Å; E377-Y392 PolarHBondContact OE1-OH 3.14Å |
| 378 | K | 97.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 27% | 0.27 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61 | -39.1 | 176.7 | -75.1 | 171.1 | -180 | 170.3 | 0 | 112.9 | Q148 A151 K152 R374 A375 Q382 | Q148-K378 HydrophobicContact CB-CD 4.39Å; A151-K378 HydrophobicContact CB-CB 4.43Å; K152-K378 HydrophobicContact CD-CD 4.42Å; K152-K378 HydrophobicContact CG-CB 3.85Å; K152-K378 HydrophobicContact CG-CD 4.14Å; K152-K378 HydrophobicContact CG-CG 4.19Å; R374-K378 WeakPolarHBondContact O-CG 3.43Å; R374-K378 PolarHBondContact O-N 2.96Å; R374-K378 VanDerWaalsContact O-N 3.15Å; A375-K378 PolarHBondContact O-N 3.5Å; K378-Q382 WeakPolarHBondContact O-CG 3.43Å; K378-Q382 PolarHBondContact O-N 3.25Å |
| 379 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -48.6 | 176 | 176.3 | 60.8 | 0 | 0 | 0 | 110.5 | L133 A151 I154 G155 L367 V370 A375 A376 E377 E381 Q382 L383 L413 | L133-L379 HydrophobicContact CD1-CD2 3.75Å; A151-L379 HydrophobicContact CB-CB 4.3Å; I154-L379 HydrophobicContact CG2-CD1 4.14Å; G155-L379 VanDerWaalsContact CA-CD1 3.49Å; L367-L379 HydrophobicContact CD1-CD2 3.67Å; L367-L379 HydrophobicContact CD1-CG 4.44Å; V370-L379 HydrophobicContact CG1-CD2 4.09Å; V370-L379 HydrophobicContact CG2-CD2 4.22Å; A375-L379 WeakPolarHBondContact O-CB 3.48Å; A375-L379 PolarHBondContact O-N 2.79Å; A376-L379 PolarHBondContact O-N 2.82Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 2.8Å; L379-E381 VanDerWaalsContact C-N 3.35Å; L379-E381 PolarHBondContact O-N 3.47Å; L379-Q382 PolarHBondContact O-N 2.91Å; L379-Q382 VanDerWaalsContact O-N 3.12Å; L379-L383 HydrophobicContact CD1-CD1 4.05Å; L379-L383 HydrophobicContact CD1-CG 4.11Å; L379-L383 HydrophobicContact CG-CD1 3.94Å; L379-L383 HydrophobicContact CG-CG 4.38Å; L379-L383 WeakPolarHBondContact O-CG 3.21Å; L379-L383 PolarHBondContact O-N 3.42Å; L379-L413 HydrophobicContact CD2-CD1 4.36Å |
| 380 | K | 97.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 34.5 Ų | 34.5 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.8 | -47.3 | 176.6 | 179.5 | -167.5 | 68.9 | -179.3 | 0 | 111.5 | A376 E377 Q382 L383 H384 I390 Y392 | A376-K380 VanDerWaalsContact O-CB 3.31Å; A376-K380 WeakPolarHBondContact O-CB 3.49Å; A376-K380 PolarHBondContact O-N 2.81Å; E377-K380 WeakPolarHBondContact O-CB 3.36Å; E377-K380 PolarHBondContact O-N 2.94Å; E377-K380 IonicContact OE1-NZ 2.75Å; E377-K380 PolarHBondContact OE1-NZ 3.07Å; E377-K380 WeakPolarHBondContact OE2-CE 3.35Å; E377-K380 IonicContact OE2-NZ 3.68Å; E377-K380 PolarHBondContact OE2-NZ 2.82Å; K380-Q382 VanDerWaalsContact C-N 3.29Å; K380-Q382 PolarHBondContact O-N 2.88Å; K380-L383 PolarHBondContact O-N 3.14Å; K380-H384 WeakPolarHBondContact O-CB 3.47Å; K380-H384 PolarHBondContact O-N 3.43Å; K380-I390 HydrophobicContact CG-CD1 3.97Å; K380-I390 HydrophobicContact CG-CG2 4.16Å; K380-Y392 HydrophobicContact CD-CD1 3.81Å; K380-Y392 HydrophobicContact CD-CE1 3.66Å; K380-Y392 HydrophobicContact CD-CE2 4.44Å; K380-Y392 HydrophobicContact CD-CG 4.25Å; K380-Y392 PolarHBondContact NZ-OH 3.48Å |
| 381 | E | 96.5 | Very high | 96.5 | Very high | 104 Ų | 104 | 34.2 Ų | 34.2 | 49% | 0.486 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -55.5 | -44 | 175.9 | -74 | 170.7 | 179 | 0 | 0 | 111.8 | E377 L379 H385 | E377-E381 WeakPolarHBondContact O-CG 3.33Å; E377-E381 PolarHBondContact O-N 2.68Å; L379-E381 VanDerWaalsContact C-N 3.35Å; L379-E381 PolarHBondContact O-N 3.47Å; E381-H385 PolarHBondContact O-CD2 3.44Å; E381-H385 VanDerWaalsContact O-CD2 3.26Å |
| 382 | Q | 97.2 | Very high | 96.6 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.6 | -36.9 | 178 | -69.4 | -57.7 | -51.4 | 0 | 0 | 113.2 | K378 L379 K380 H385 | K378-Q382 WeakPolarHBondContact O-CG 3.43Å; K378-Q382 PolarHBondContact O-N 3.25Å; L379-Q382 PolarHBondContact O-N 2.91Å; L379-Q382 VanDerWaalsContact O-N 3.12Å; K380-Q382 VanDerWaalsContact C-N 3.29Å; K380-Q382 PolarHBondContact O-N 2.88Å; Q382-H385 PolarHBondContact O-CD2 3.2Å |
| 383 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.9 | -33.4 | 179.7 | -69 | 178.1 | 0 | 0 | 0 | 112.8 | I158 L365 L367 L379 K380 H385 Y386 F387 I390 L413 | I158-L383 HydrophobicContact CB-CD2 4.16Å; I158-L383 HydrophobicContact CD1-CD2 4.47Å; I158-L383 HydrophobicContact CG2-CD2 3.81Å; L365-L383 HydrophobicContact CD2-CD1 4.22Å; L365-L383 HydrophobicContact CD2-CD2 4.01Å; L367-L383 HydrophobicContact CD1-CD1 4.22Å; L379-L383 HydrophobicContact CD1-CD1 4.05Å; L379-L383 HydrophobicContact CD1-CG 4.11Å; L379-L383 HydrophobicContact CG-CD1 3.94Å; L379-L383 HydrophobicContact CG-CG 4.38Å; L379-L383 WeakPolarHBondContact O-CG 3.21Å; L379-L383 PolarHBondContact O-N 3.42Å; K380-L383 PolarHBondContact O-N 3.14Å; L383-H385 PolarHBondContact O-N 3.34Å; L383-H385 VanDerWaalsContact O-N 3.12Å; L383-Y386 PolarHBondContact O-N 2.75Å; L383-F387 HydrophobicContact CB-CD2 4.26Å; L383-F387 HydrophobicContact CD2-CD2 4.23Å; L383-F387 HydrophobicContact CD2-CE2 4.23Å; L383-F387 PolarHBondContact O-N 2.93Å; L383-I390 HydrophobicContact CB-CD1 3.79Å; L383-L413 HydrophobicContact CD1-CD2 3.99Å |
| 384 | H | 96.2 | Very high | 96.7 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 9% | 0.093 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.2 | -21.1 | 178.4 | -99.6 | -45.6 | 0 | 0 | 0 | 113.8 | S98 L100 K380 Y386 F387 I390 | S98-H384 PolarHBondContact OG-NE2 3.32Å; L100-H384 HydrophobicContact CD1-CB 4.27Å; K380-H384 WeakPolarHBondContact O-CB 3.47Å; K380-H384 PolarHBondContact O-N 3.43Å; H384-Y386 PolarHBondContact O-N 2.93Å; H384-Y386 VanDerWaalsContact O-N 3.09Å; H384-F387 WeakPolarHBondContact CA-O 3.46Å; H384-F387 PolarHBondContact ND1-O 3.46Å; H384-I390 HydrophobicContact CB-CD1 4.49Å |
| 385 | H | 94.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 28.7 Ų | 28.7 | 60% | 0.602 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -7.6 | 171.3 | -69.9 | -74.7 | 0 | 0 | 0 | 114.1 | R159 E381 Q382 L383 | R159-H385 VanDerWaalsContact CD-CB 3.41Å; R159-H385 HydrophobicContact CG-CB 4.43Å; R159-H385 PolarHBondContact NH1-CD2 2.83Å; E381-H385 PolarHBondContact O-CD2 3.44Å; E381-H385 VanDerWaalsContact O-CD2 3.26Å; Q382-H385 PolarHBondContact O-CD2 3.2Å; L383-H385 PolarHBondContact O-N 3.34Å; L383-H385 VanDerWaalsContact O-N 3.12Å |
| 386 | Y | 95 | Very high | 95.9 | Very high | 39 Ų | 39 | 30.4 Ų | 30.4 | 15% | 0.153 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | -40.4 | -180 | 180 | -94.7 | 0 | 0 | 0 | 113.5 | A162 N361 L362 L383 H384 R417 | A162-Y386 HydrophobicContact CB-CD1 3.9Å; A162-Y386 HydrophobicContact CB-CD2 4.48Å; A162-Y386 HydrophobicContact CB-CE1 3.49Å; A162-Y386 VanDerWaalsContact CB-CE1 3.49Å; A162-Y386 HydrophobicContact CB-CE2 4.12Å; A162-Y386 HydrophobicContact CB-CG 4.37Å; A162-Y386 PolarHBondContact O-OH 3.28Å; N361-Y386 VanDerWaalsContact CA-OH 3.3Å; N361-Y386 WeakPolarHBondContact CA-OH 3.39Å; L362-Y386 PolarHBondContact N-OH 3.25Å; L362-Y386 WeakPolarHBondContact O-CE1 3.31Å; L362-Y386 PolarHBondContact O-OH 2.62Å; L383-Y386 PolarHBondContact O-N 2.75Å; H384-Y386 PolarHBondContact O-N 2.93Å; H384-Y386 VanDerWaalsContact O-N 3.09Å; Y386-R417 HydrophobicContact CE1-CG 4.05Å |
| 387 | F | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | trans | -96 | 122 | 176.5 | -63.8 | -72.9 | 0 | 0 | 0 | 110.3 | I158 L362 L365 L383 H384 I390 A415 R417 | I158-F387 HydrophobicContact CG2-CE2 4.41Å; L362-F387 HydrophobicContact CB-CZ 4.39Å; L362-F387 HydrophobicContact CD2-CZ 3.88Å; L362-F387 HydrophobicContact CG-CE1 4.47Å; L362-F387 HydrophobicContact CG-CZ 3.96Å; L365-F387 HydrophobicContact CB-CE1 4.5Å; L365-F387 HydrophobicContact CB-CE2 4.24Å; L365-F387 HydrophobicContact CB-CZ 3.9Å; L365-F387 HydrophobicContact CD2-CE2 4.01Å; L365-F387 HydrophobicContact CD2-CZ 4.44Å; L383-F387 HydrophobicContact CB-CD2 4.26Å; L383-F387 HydrophobicContact CD2-CD2 4.23Å; L383-F387 HydrophobicContact CD2-CE2 4.23Å; L383-F387 PolarHBondContact O-N 2.93Å; H384-F387 WeakPolarHBondContact CA-O 3.46Å; H384-F387 PolarHBondContact ND1-O 3.46Å; F387-I390 HydrophobicContact CB-CG1 4.36Å; F387-A415 HydrophobicContact CB-CB 3.86Å; F387-A415 HydrophobicContact CD1-CB 4.16Å; F387-A415 HydrophobicContact CD2-CB 3.75Å; F387-A415 HydrophobicContact CE2-CB 4.3Å; F387-A415 HydrophobicContact CG-CB 3.66Å; F387-R417 HydrophobicContact CD1-CG 3.78Å; F387-R417 HydrophobicContact CE1-CG 4.06Å | ||
| 388 | E | 95.5 | Very high | 93.2 | Very high | 61 Ų | 61 | 28.1 Ų | 28.1 | 29% | 0.285 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -75.2 | -32 | 179.2 | -173.6 | -172.6 | 162.3 | 0 | 0 | 112.2 | R99 L100 S416 | R99-E388 WeakPolarHBondContact CA-O 3.43Å; R99-E388 HydrophobicContact CG-CG 4.23Å; R99-E388 IonicContact CZ-OE1 3.79Å; R99-E388 VanDerWaalsContact CZ-OE1 3.28Å; R99-E388 IonicContact NE-OE1 2.64Å; R99-E388 PolarHBondContact NE-OE1 3.34Å; R99-E388 IonicContact NH2-OE1 3.76Å; R99-E388 PolarHBondContact NH2-OE1 2.86Å; L100-E388 HydrophobicContact CB-CG 4.43Å; L100-E388 PolarHBondContact N-O 3.08Å; E388-S416 PolarHBondContact N-O 3.47Å |
| 389 | Y | 97.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 29 Ų | 29 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.5 | -170.7 | -53.6 | -79.6 | 0 | 0 | 0 | 110.8 | Y97 R99 A415 S416 Y418 P419 | Y97-Y389 HydrophobicContact CE2-CD1 4.07Å; Y97-Y389 WeakPolarHBondContact OH-CD1 3.33Å; R99-Y389 HydrophobicContact CG-CD1 4.1Å; R99-Y389 HydrophobicContact CG-CE1 3.99Å; R99-Y389 PolarHBondContact NH2-OH 3.07Å; Y389-A415 CarbonylContact O-C 3.52Å; Y389-A415 WeakPolarHBondContact O-CA 3.37Å; Y389-S416 PolarHBondContact N-O 2.85Å; Y389-S416 PolarHBondContact O-N 2.78Å; Y389-Y418 WeakPolarHBondContact CD2-O 3.49Å; Y389-P419 HydrophobicContact CE1-CB 4.24Å; Y389-P419 HydrophobicContact CE2-CB 4.36Å; Y389-P419 HydrophobicContact CE2-CG 4.02Å |
| 390 | I | 98.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.5 | -179 | -58.1 | -177.7 | 0 | 0 | 0 | 110.5 | S98 K380 L383 H384 F387 L413 F414 A415 | S98-I390 PolarHBondContact N-O 3.26Å; S98-I390 PolarHBondContact O-N 2.83Å; K380-I390 HydrophobicContact CG-CD1 3.97Å; K380-I390 HydrophobicContact CG-CG2 4.16Å; L383-I390 HydrophobicContact CB-CD1 3.79Å; H384-I390 HydrophobicContact CB-CD1 4.49Å; F387-I390 HydrophobicContact CB-CG1 4.36Å; I390-L413 HydrophobicContact CG2-CD1 4.5Å; I390-L413 HydrophobicContact CG2-CD2 4.09Å; I390-L413 HydrophobicContact CG2-CG 4.24Å; I390-F414 CarbonylContact C-O 3.49Å; I390-F414 VanDerWaalsContact CA-O 3.32Å; I390-F414 WeakPolarHBondContact CA-O 3.5Å; I390-F414 WeakPolarHBondContact CG2-O 3.37Å; I390-A415 HydrophobicContact CD1-CB 4.44Å; I390-A415 HydrophobicContact CG1-CB 3.95Å |
| 391 | I | 98.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.2 | 166.2 | -68.5 | -173.1 | 0 | 0 | 0 | 108.9 | Y95 I96 Y97 V394 L413 F414 I420 A423 L443 L445 | Y95-I391 HydrophobicContact CD2-CD1 4.42Å; Y95-I391 HydrophobicContact CD2-CG2 4.05Å; Y95-I391 HydrophobicContact CE2-CD1 4.38Å; Y95-I391 HydrophobicContact CG-CG2 4.05Å; I96-I391 CarbonylContact O-C 3.59Å; I96-I391 WeakPolarHBondContact O-CA 3.39Å; Y97-I391 HydrophobicContact CD2-CG1 4.11Å; I391-V394 HydrophobicContact CG2-CG2 3.68Å; I391-L413 CarbonylContact O-C 3.51Å; I391-L413 WeakPolarHBondContact O-CA 3.32Å; I391-F414 HydrophobicContact CB-CB 4.41Å; I391-F414 PolarHBondContact N-O 3.22Å; I391-F414 PolarHBondContact O-N 2.9Å; I391-I420 HydrophobicContact CD1-CD1 3.84Å; I391-I420 HydrophobicContact CD1-CG2 4.16Å; I391-I420 HydrophobicContact CG1-CD1 3.72Å; I391-A423 HydrophobicContact CD1-CB 3.38Å; I391-L443 HydrophobicContact CG2-CD1 4.37Å; I391-L443 HydrophobicContact CG2-CD2 4.22Å; I391-L445 HydrophobicContact CD1-CD2 3.73Å |
| 392 | Y | 97.4 | Very high | 84.3 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 177.1 | -177 | 80.7 | -74.9 | 0 | 0 | 0 | 111.9 | I96 E377 K380 V394 | I96-Y392 HydrophobicContact CB-CD1 4.02Å; I96-Y392 HydrophobicContact CB-CE1 3.65Å; I96-Y392 HydrophobicContact CD1-CE1 4.43Å; I96-Y392 HydrophobicContact CD1-CE2 4.19Å; I96-Y392 HydrophobicContact CG2-CD1 4.27Å; I96-Y392 HydrophobicContact CG2-CE1 3.49Å; I96-Y392 VanDerWaalsContact CG2-CE1 3.49Å; I96-Y392 PolarHBondContact N-O 2.91Å; I96-Y392 WeakPolarHBondContact O-CD1 3.48Å; I96-Y392 PolarHBondContact O-N 3.18Å; E377-Y392 WeakPolarHBondContact OE1-CE2 3.23Å; E377-Y392 VanDerWaalsContact OE1-CZ 3.24Å; E377-Y392 PolarHBondContact OE1-OH 3.14Å; K380-Y392 HydrophobicContact CD-CD1 3.81Å; K380-Y392 HydrophobicContact CD-CE1 3.66Å; K380-Y392 HydrophobicContact CD-CE2 4.44Å; K380-Y392 HydrophobicContact CD-CG 4.25Å; K380-Y392 PolarHBondContact NZ-OH 3.48Å; Y392-V394 PolarHBondContact O-N 2.97Å |
| 393 | D | 95.3 | Very high | 82.1 | Confident | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 47.7 | 44.9 | -171.8 | -157.9 | 7.2 | 0 | 0 | 0 | 111.4 | R92 I96 K373 Y397 N409 | R92-D393 IonicContact CZ-OD2 2.73Å; R92-D393 IonicContact NH2-OD1 2.69Å; R92-D393 IonicContact NH2-OD2 3.76Å; R92-D393 PolarHBondContact NH2-OD2 2.69Å; I96-D393 HydrophobicContact CD1-CB 3.95Å; I96-D393 HydrophobicContact CG1-CB 4.33Å; K373-D393 IonicContact NZ-OD1 3.87Å; K373-D393 PolarHBondContact NZ-OD1 2.8Å; K373-D393 IonicContact NZ-OD2 3.08Å; K373-D393 PolarHBondContact NZ-OD2 3.43Å; D393-Y397 PolarHBondContact OD1-OH 2.71Å; D393-N409 PolarHBondContact OD1-ND2 3.12Å |
| 394 | V | 95.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -76.4 | 132.1 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | P94 I391 Y392 N409 S410 L412 Y425 L443 | P94-V394 CarbonylContact O-C 3.58Å; P94-V394 VanDerWaalsContact O-CA 3.29Å; P94-V394 WeakPolarHBondContact O-CA 3.45Å; I391-V394 HydrophobicContact CG2-CG2 3.68Å; Y392-V394 PolarHBondContact O-N 2.97Å; V394-N409 VanDerWaalsContact O-CB 3.3Å; V394-N409 WeakPolarHBondContact O-CB 3.11Å; V394-S410 WeakPolarHBondContact O-CB 3.49Å; V394-S410 PolarHBondContact O-N 3.46Å; V394-S410 PolarHBondContact O-OG 2.9Å; V394-L412 HydrophobicContact CB-CB 4.16Å; V394-L412 WeakPolarHBondContact CB-O 3.11Å; V394-L412 HydrophobicContact CG1-CB 4.28Å; V394-L412 WeakPolarHBondContact CG2-O 3.49Å; V394-Y425 HydrophobicContact CG1-CD1 4.39Å; V394-Y425 HydrophobicContact CG1-CD2 3.34Å; V394-Y425 HydrophobicContact CG1-CE2 3.97Å; V394-Y425 HydrophobicContact CG1-CG 3.59Å; V394-L443 HydrophobicContact CG1-CD1 4.1Å; V394-L443 HydrophobicContact CG2-CD1 4.39Å; V394-L443 HydrophobicContact CG2-CD2 4.17Å | ||
| 395 | G | 90.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 139.8 | 171.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P94 S439 | P94-G395 PolarHBondContact O-N 2.92Å; G395-S439 VanDerWaalsContact CA-OG 3.31Å; G395-S439 WeakPolarHBondContact CA-OG 3.3Å |
| 396 | V | 83.7 | Confident | 78.9 | Confident | 37 Ų | 37 | 37.9 Ų | 37.9 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | trans | -125 | 139.2 | 175.5 | -64.8 | 0 | 0 | 0 | 0 | 109.2 | P94 K406 Y425 C427 S439 | P94-V396 HydrophobicContact CB-CG1 4.48Å; V396-K406 WeakPolarHBondContact O-CB 3.21Å; V396-Y425 HydrophobicContact CG1-CE1 4.31Å; V396-Y425 HydrophobicContact CG2-CE1 4.44Å; V396-C427 HydrophobicContact CG2-CB 4.06Å; V396-S439 PolarHBondContact N-OG 3.48Å; V396-S439 VanDerWaalsContact O-CB 3.29Å; V396-S439 WeakPolarHBondContact O-CB 3.5Å | ||
| 397 | Y | 74.3 | Confident | 78.3 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -111.3 | 9.7 | -175 | -62.4 | -91.5 | 0 | 0 | 0 | 112.7 | W85 K373 D393 K406 N409 | W85-Y397 HydrophobicContact CH2-CD1 4.36Å; W85-Y397 HydrophobicContact CZ2-CD1 4.11Å; W85-Y397 HydrophobicContact CZ2-CG 4.22Å; K373-Y397 WeakPolarHBondContact CE-OH 3.44Å; K373-Y397 PolarHBondContact NZ-OH 2.82Å; D393-Y397 PolarHBondContact OD1-OH 2.71Å; Y397-K406 CarbonylContact C-O 3.6Å; Y397-K406 WeakPolarHBondContact CA-O 3.15Å; Y397-N409 HydrophobicContact CE1-CB 3.86Å; Y397-N409 VanDerWaalsContact CE1-N 3.34Å; Y397-N409 HydrophobicContact CE2-CB 3.99Å; Y397-N409 VanDerWaalsContact CZ-CB 3.44Å; Y397-N409 VanDerWaalsContact OH-CB 3.23Å; Y397-N409 WeakPolarHBondContact OH-CB 3.44Å; Y397-N409 PolarHBondContact OH-ND2 3.01Å | ||
| 398 | S | 63.8 | Low | 77.8 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -134.7 | 161.2 | -172 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | Q89 H400 | Q89-S398 VanDerWaalsContact C-OG 3.31Å; Q89-S398 PolarHBondContact O-OG 2.88Å; S398-H400 PolarHBondContact O-N 2.79Å |
| 399 | C | 54.8 | Low | 77.5 | Confident | 81 Ų | 81 | 40.9 Ų | 40.9 | 55% | 0.547 | 25% | 0.246 | S | C | . | . | trans | -67 | 78.8 | 167.3 | -168.3 | 0 | 0 | 0 | 0 | 109.3 | G401 C403 | C399-G401 PolarHBondContact O-N 3.39Å; C399-G401 PolarHBondContact SG-O 3.17Å; C399-G401 VanDerWaalsContact SG-O 3.36Å; C399-C403 PolarHBondContact SG-O 2.79Å | ||
| 400 | H | 46.8 | Very low | 77.4 | Confident | 124 Ų | 124 | 40.2 Ų | 40.2 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | trans | -81.4 | 102.6 | 165.6 | -122.2 | 82 | 0 | 0 | 0 | 107.5 | S90 S398 | S90-H400 PolarHBondContact O-CE1 3.48Å; S90-H400 VanDerWaalsContact O-CE1 3.3Å; S398-H400 PolarHBondContact O-N 2.79Å | ||
| 401 | G | 57.1 | Low | 77.3 | Confident | 66 Ų | 66 | 40.2 Ų | 40.2 | 68% | 0.68 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | -126.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C399 | C399-G401 PolarHBondContact O-N 3.39Å; C399-G401 PolarHBondContact SG-O 3.17Å; C399-G401 VanDerWaalsContact SG-O 3.36Å |
| 402 | C | 44.6 | Very low | 77.3 | Confident | 141 Ų | 141 | 40.4 Ų | 40.4 | 95% | 0.953 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 8.3 | -174.4 | -67.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 403 | C | 51.2 | Low | 77.3 | Confident | 44 Ų | 44 | 39.4 Ų | 39.4 | 30% | 0.297 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -87.5 | 145.1 | -174.9 | -66.8 | 0 | 0 | 0 | 0 | 113 | C399 | C399-C403 PolarHBondContact SG-O 2.79Š|
| 404 | S | 62.9 | Low | 77.5 | Confident | 64 Ų | 64 | 38.4 Ų | 38.4 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -63.5 | 154.9 | 174.7 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | K406 | S404-K406 PolarHBondContact O-N 2.78Š|
| 405 | F | 74.9 | Confident | 77.6 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 25% | 0.254 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -60.6 | 128.8 | 177.8 | -170.2 | -92.4 | 0 | 0 | 0 | 111.6 | F82 W85 F407 | F82-F405 HydrophobicContact CE2-CE1 4.26Å; F82-F405 AromaticContact CE2-CZ 3.92Å; F82-F405 HydrophobicContact CE2-CZ 3.92Å; F82-F405 HydrophobicContact CZ-CE1 4.28Å; F82-F405 AromaticContact CZ-CZ 3.85Å; F82-F405 HydrophobicContact CZ-CZ 3.85Å; W85-F405 HydrophobicContact CH2-CZ 4.5Å; W85-F405 HydrophobicContact CZ3-CE1 4.45Å; W85-F405 AromaticContact CZ3-CZ 3.86Å; W85-F405 HydrophobicContact CZ3-CZ 3.86Å; F405-F407 HydrophobicContact CD1-CD1 4.24Å; F405-F407 AromaticContact CD1-CD2 3.77Å; F405-F407 HydrophobicContact CD1-CD2 3.77Å; F405-F407 AromaticContact CD1-CE1 3.96Å; F405-F407 HydrophobicContact CD1-CE1 3.96Å; F405-F407 AromaticContact CD1-CE2 3.47Å; F405-F407 HydrophobicContact CD1-CE2 3.47Å; F405-F407 VanDerWaalsContact CD1-CE2 3.47Å; F405-F407 HydrophobicContact CD1-CG 4.15Å; F405-F407 AromaticContact CD1-CZ 3.57Å; F405-F407 HydrophobicContact CD1-CZ 3.57Å; F405-F407 AromaticContact CE1-CD1 3.67Å; F405-F407 HydrophobicContact CE1-CD1 3.67Å; F405-F407 HydrophobicContact CE1-CD2 4.04Å; F405-F407 AromaticContact CE1-CE1 3.46Å; F405-F407 HydrophobicContact CE1-CE1 3.46Å; F405-F407 VanDerWaalsContact CE1-CE1 3.46Å; F405-F407 AromaticContact CE1-CE2 3.87Å; F405-F407 HydrophobicContact CE1-CE2 3.87Å; F405-F407 AromaticContact CE1-CG 3.96Å; F405-F407 HydrophobicContact CE1-CG 3.96Å; F405-F407 AromaticContact CE1-CZ 3.57Å; F405-F407 HydrophobicContact CE1-CZ 3.57Å |
| 406 | K | 83.5 | Confident | 78 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | trans | -108.5 | 122.8 | -179.6 | -56.6 | -56.6 | -172.1 | 164.3 | 0 | 110.5 | V396 Y397 S404 S436 L437 A438 | V396-K406 WeakPolarHBondContact O-CB 3.21Å; Y397-K406 CarbonylContact C-O 3.6Å; Y397-K406 WeakPolarHBondContact CA-O 3.15Å; S404-K406 PolarHBondContact O-N 2.78Å; K406-S436 VanDerWaalsContact CD-O 3.24Å; K406-S436 WeakPolarHBondContact CD-O 3.36Å; K406-S436 WeakPolarHBondContact CE-O 3.4Å; K406-S436 PolarHBondContact NZ-O 2.72Å; K406-L437 CarbonylContact C-O 3.37Å; K406-L437 WeakPolarHBondContact CA-O 3.45Å; K406-A438 WeakPolarHBondContact CD-O 3.03Å; K406-A438 PolarHBondContact NZ-O 3.04Å | ||
| 407 | F | 82 | Confident | 78.6 | Confident | 111 Ų | 111 | 39 Ų | 39 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -88.8 | -27.3 | 179.7 | -72.7 | -89 | 0 | 0 | 0 | 112.8 | F82 F405 L437 | F82-F407 HydrophobicContact CE2-CE1 4.31Å; F405-F407 HydrophobicContact CD1-CD1 4.24Å; F405-F407 AromaticContact CD1-CD2 3.77Å; F405-F407 HydrophobicContact CD1-CD2 3.77Å; F405-F407 AromaticContact CD1-CE1 3.96Å; F405-F407 HydrophobicContact CD1-CE1 3.96Å; F405-F407 AromaticContact CD1-CE2 3.47Å; F405-F407 HydrophobicContact CD1-CE2 3.47Å; F405-F407 VanDerWaalsContact CD1-CE2 3.47Å; F405-F407 HydrophobicContact CD1-CG 4.15Å; F405-F407 AromaticContact CD1-CZ 3.57Å; F405-F407 HydrophobicContact CD1-CZ 3.57Å; F405-F407 AromaticContact CE1-CD1 3.67Å; F405-F407 HydrophobicContact CE1-CD1 3.67Å; F405-F407 HydrophobicContact CE1-CD2 4.04Å; F405-F407 AromaticContact CE1-CE1 3.46Å; F405-F407 HydrophobicContact CE1-CE1 3.46Å; F405-F407 VanDerWaalsContact CE1-CE1 3.46Å; F405-F407 AromaticContact CE1-CE2 3.87Å; F405-F407 HydrophobicContact CE1-CE2 3.87Å; F405-F407 AromaticContact CE1-CG 3.96Å; F405-F407 HydrophobicContact CE1-CG 3.96Å; F405-F407 AromaticContact CE1-CZ 3.57Å; F405-F407 HydrophobicContact CE1-CZ 3.57Å; F407-L437 HydrophobicContact CD2-CB 4.28Å; F407-L437 HydrophobicContact CD2-CD2 3.78Å; F407-L437 HydrophobicContact CD2-CG 4.45Å; F407-L437 HydrophobicContact CE2-CD2 3.99Å; F407-L437 PolarHBondContact N-O 2.95Å |
| 408 | V | 85.2 | Confident | 79.6 | Confident | 48 Ų | 48 | 39 Ų | 39 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -122.9 | 145.9 | -176.3 | -168 | 0 | 0 | 0 | 0 | 108.9 | F371 L437 A438 S439 | F371-V408 HydrophobicContact CB-CG1 3.89Å; F371-V408 HydrophobicContact CD1-CG1 3.41Å; F371-V408 VanDerWaalsContact CD1-CG1 3.41Å; F371-V408 HydrophobicContact CE1-CG1 4.11Å; F371-V408 HydrophobicContact CG-CG1 3.86Å; V408-L437 PolarHBondContact N-O 2.87Å; V408-L437 VanDerWaalsContact N-O 3.12Å; V408-A438 HydrophobicContact CB-CB 4.47Å; V408-S439 PolarHBondContact O-N 2.83Å |
| 409 | N | 89.9 | Confident | 81.1 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -69.4 | -168.4 | 176.1 | 61.8 | 8.5 | 0 | 0 | 0 | 111.9 | F371 D393 V394 Y397 G411 S439 | F371-N409 WeakPolarHBondContact CD1-OD1 3.42Å; F371-N409 WeakPolarHBondContact CE1-O 3.23Å; D393-N409 PolarHBondContact OD1-ND2 3.12Å; V394-N409 VanDerWaalsContact O-CB 3.3Å; V394-N409 WeakPolarHBondContact O-CB 3.11Å; Y397-N409 HydrophobicContact CE1-CB 3.86Å; Y397-N409 VanDerWaalsContact CE1-N 3.34Å; Y397-N409 HydrophobicContact CE2-CB 3.99Å; Y397-N409 VanDerWaalsContact CZ-CB 3.44Å; Y397-N409 VanDerWaalsContact OH-CB 3.23Å; Y397-N409 WeakPolarHBondContact OH-CB 3.44Å; Y397-N409 PolarHBondContact OH-ND2 3.01Å; N409-G411 VanDerWaalsContact C-N 3.28Å; N409-G411 PolarHBondContact O-N 2.69Å; N409-G411 PolarHBondContact OD1-N 3.03Å; N409-S439 WeakPolarHBondContact CA-OG 3.27Å; N409-S439 PolarHBondContact O-N 3.29Å | ||
| 410 | S | 94.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -77.3 | -18.2 | -176.5 | 73 | 0 | 0 | 0 | 0 | 113.1 | V394 L412 S439 | V394-S410 WeakPolarHBondContact O-CB 3.49Å; V394-S410 PolarHBondContact O-N 3.46Å; V394-S410 PolarHBondContact O-OG 2.9Å; S410-L412 PolarHBondContact O-N 3.37Å; S410-L412 WeakPolarHBondContact OG-CB 3.46Å; S410-L412 VanDerWaalsContact OG-CG 3.29Å; S410-L412 WeakPolarHBondContact OG-CG 3.32Å; S410-L412 PolarHBondContact OG-N 3.1Å; S410-L412 VanDerWaalsContact OG-N 3.08Å; S410-S439 WeakPolarHBondContact CA-O 3.4Å; S410-S439 WeakPolarHBondContact CB-O 3.39Å; S410-S439 PolarHBondContact N-OG 2.81Å | ||
| 411 | G | 96.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | 69.1 | 10.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q368 E369 V370 N409 | Q368-G411 CarbonylContact C-O 3.59Å; Q368-G411 WeakPolarHBondContact CA-O 3.46Å; E369-G411 PolarHBondContact N-O 3.42Å; V370-G411 PolarHBondContact N-O 3.22Å; N409-G411 VanDerWaalsContact C-N 3.28Å; N409-G411 PolarHBondContact O-N 2.69Å; N409-G411 PolarHBondContact OD1-N 3.03Å | ||
| 412 | L | 98.6 | Very high | 87.3 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | trans | -85 | 138.1 | 177.9 | -56.1 | 179.2 | 0 | 0 | 0 | 111.2 | L367 Q368 V394 S410 Y425 L443 H466 | L367-L412 WeakPolarHBondContact O-CA 3.22Å; Q368-L412 HydrophobicContact CG-CD2 4.01Å; V394-L412 HydrophobicContact CB-CB 4.16Å; V394-L412 WeakPolarHBondContact CB-O 3.11Å; V394-L412 HydrophobicContact CG1-CB 4.28Å; V394-L412 WeakPolarHBondContact CG2-O 3.49Å; S410-L412 PolarHBondContact O-N 3.37Å; S410-L412 WeakPolarHBondContact OG-CB 3.46Å; S410-L412 VanDerWaalsContact OG-CG 3.29Å; S410-L412 WeakPolarHBondContact OG-CG 3.32Å; S410-L412 PolarHBondContact OG-N 3.1Å; S410-L412 VanDerWaalsContact OG-N 3.08Å; L412-Y425 HydrophobicContact CD1-CE2 4.4Å; L412-L443 HydrophobicContact CD1-CB 3.94Å; L412-H466 HydrophobicContact CD2-CB 4.05Å | ||
| 413 | L | 98.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139.9 | 168.8 | -178 | 156.8 | 0 | 0 | 0 | 108.9 | L367 V370 L379 L383 I390 I391 A415 | L367-L413 HydrophobicContact CB-CB 4.26Å; L367-L413 HydrophobicContact CD1-CD2 4.06Å; L367-L413 HydrophobicContact CG-CD2 4.43Å; L367-L413 PolarHBondContact N-O 3.48Å; L367-L413 PolarHBondContact O-N 3.2Å; V370-L413 HydrophobicContact CB-CB 4.39Å; V370-L413 HydrophobicContact CG1-CD1 4.25Å; V370-L413 HydrophobicContact CG2-CB 3.99Å; L379-L413 HydrophobicContact CD2-CD1 4.36Å; L383-L413 HydrophobicContact CD1-CD2 3.99Å; I390-L413 HydrophobicContact CG2-CD1 4.5Å; I390-L413 HydrophobicContact CG2-CD2 4.09Å; I390-L413 HydrophobicContact CG2-CG 4.24Å; I391-L413 CarbonylContact O-C 3.51Å; I391-L413 WeakPolarHBondContact O-CA 3.32Å; L413-A415 HydrophobicContact CD2-CB 4.39Å |
| 414 | F | 98.8 | Very high | 92 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.3 | 174.1 | 174.6 | -96.4 | 0 | 0 | 0 | 110.3 | F364 L365 I390 I391 S416 I420 L443 L445 V447 I462 | F364-F414 HydrophobicContact CB-CE2 4.19Å; F364-F414 HydrophobicContact CB-CZ 4.45Å; F364-F414 HydrophobicContact CD1-CE2 4.37Å; F364-F414 AromaticContact CD1-CZ 3.83Å; F364-F414 HydrophobicContact CD1-CZ 3.83Å; L365-F414 CarbonylContact O-C 3.36Å; L365-F414 WeakPolarHBondContact O-CA 3.19Å; I390-F414 CarbonylContact C-O 3.49Å; I390-F414 VanDerWaalsContact CA-O 3.32Å; I390-F414 WeakPolarHBondContact CA-O 3.5Å; I390-F414 WeakPolarHBondContact CG2-O 3.37Å; I391-F414 HydrophobicContact CB-CB 4.41Å; I391-F414 PolarHBondContact N-O 3.22Å; I391-F414 PolarHBondContact O-N 2.9Å; F414-S416 VanDerWaalsContact CE1-CB 3.48Å; F414-I420 HydrophobicContact CD1-CD1 3.79Å; F414-I420 HydrophobicContact CE1-CD1 3.74Å; F414-I420 HydrophobicContact CE1-CG1 4.05Å; F414-L443 HydrophobicContact CB-CD2 3.86Å; F414-L445 HydrophobicContact CB-CD1 4.14Å; F414-L445 HydrophobicContact CB-CD2 4.19Å; F414-L445 HydrophobicContact CD1-CD1 4.17Å; F414-L445 HydrophobicContact CD1-CD2 3.28Å; F414-L445 HydrophobicContact CD1-CG 4.32Å; F414-L445 HydrophobicContact CD2-CD1 3.66Å; F414-L445 HydrophobicContact CD2-CD2 4.32Å; F414-L445 HydrophobicContact CE1-CD1 4.46Å; F414-L445 HydrophobicContact CE1-CD2 3.55Å; F414-L445 HydrophobicContact CE1-CG 4.47Å; F414-L445 HydrophobicContact CE2-CD1 4Å; F414-L445 HydrophobicContact CG-CD1 3.72Å; F414-L445 HydrophobicContact CG-CD2 3.67Å; F414-L445 HydrophobicContact CG-CG 4.35Å; F414-L445 HydrophobicContact CZ-CD1 4.36Å; F414-L445 HydrophobicContact CZ-CD2 4.17Å; F414-V447 HydrophobicContact CE1-CG1 4.5Å; F414-V447 HydrophobicContact CZ-CG1 4.34Å; F414-I462 HydrophobicContact CE2-CB 4.37Å; F414-I462 HydrophobicContact CE2-CD1 3.87Å; F414-I462 HydrophobicContact CE2-CG2 3.99Å; F414-I462 HydrophobicContact CZ-CD1 3.83Å |
| 415 | A | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F364 L365 F387 Y389 I390 L413 | F364-A415 WeakPolarHBondContact CA-O 3.44Å; L365-A415 HydrophobicContact CB-CB 4.31Å; L365-A415 PolarHBondContact N-O 3.25Å; L365-A415 PolarHBondContact O-N 3.18Å; F387-A415 HydrophobicContact CB-CB 3.86Å; F387-A415 HydrophobicContact CD1-CB 4.16Å; F387-A415 HydrophobicContact CD2-CB 3.75Å; F387-A415 HydrophobicContact CE2-CB 4.3Å; F387-A415 HydrophobicContact CG-CB 3.66Å; Y389-A415 CarbonylContact O-C 3.52Å; Y389-A415 WeakPolarHBondContact O-CA 3.37Å; I390-A415 HydrophobicContact CD1-CB 4.44Å; I390-A415 HydrophobicContact CG1-CB 3.95Å; L413-A415 HydrophobicContact CD2-CB 4.39Å |
| 416 | S | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 147.4 | -177.5 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | D363 F364 E388 Y389 F414 Y418 | D363-S416 WeakPolarHBondContact O-CA 3.42Å; F364-S416 WeakPolarHBondContact CD1-OG 3.45Å; F364-S416 WeakPolarHBondContact CE1-OG 3.47Å; E388-S416 PolarHBondContact N-O 3.47Å; Y389-S416 PolarHBondContact N-O 2.85Å; Y389-S416 PolarHBondContact O-N 2.78Å; F414-S416 VanDerWaalsContact CE1-CB 3.48Å; S416-Y418 VanDerWaalsContact C-N 3.33Å; S416-Y418 PolarHBondContact OG-N 2.92Å; S416-Y418 PolarHBondContact OG-O 3.38Å; S416-Y418 VanDerWaalsContact OG-O 3.08Å |
| 417 | R | 96.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 21.8 Ų | 21.8 | 19% | 0.185 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -84.4 | -11.9 | 166.7 | -55.8 | -175 | 64.6 | -171.3 | -0.8 | 113 | L112 L362 D363 Y386 F387 | L112-R417 HydrophobicContact CD1-CB 3.48Å; L112-R417 VanDerWaalsContact CD1-CB 3.48Å; L112-R417 WeakPolarHBondContact CD1-O 3.3Å; L362-R417 VanDerWaalsContact O-CD 3.22Å; L362-R417 WeakPolarHBondContact O-CD 3.42Å; D363-R417 PolarHBondContact O-N 3.42Å; Y386-R417 HydrophobicContact CE1-CG 4.05Å; F387-R417 HydrophobicContact CD1-CG 3.78Å; F387-R417 HydrophobicContact CE1-CG 4.06Å |
| 418 | Y | 96 | Very high | 95.7 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 4% | 0.035 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -108 | 145 | -177 | -71.7 | -82.5 | 0 | 0 | 0 | 111 | L112 F124 D363 F364 Y389 S416 I420 V449 | L112-Y418 HydrophobicContact CD1-CD1 4.49Å; L112-Y418 HydrophobicContact CD1-CD2 4.46Å; L112-Y418 HydrophobicContact CD1-CE1 4.2Å; L112-Y418 HydrophobicContact CD1-CE2 4.13Å; F124-Y418 HydrophobicContact CD1-CE2 4.21Å; F124-Y418 HydrophobicContact CE1-CE2 4.14Å; F124-Y418 AromaticContact CE1-CZ 3.97Å; D363-Y418 HydrophobicContact CB-CD2 4.2Å; D363-Y418 HydrophobicContact CB-CE2 3.94Å; F364-Y418 AromaticContact CE1-CD2 3.93Å; F364-Y418 HydrophobicContact CE1-CD2 3.93Å; F364-Y418 HydrophobicContact CE1-CG 4.4Å; F364-Y418 HydrophobicContact CE2-CD2 4.37Å; F364-Y418 AromaticContact CZ-CD2 3.58Å; F364-Y418 HydrophobicContact CZ-CD2 3.58Å; F364-Y418 HydrophobicContact CZ-CE2 4.3Å; F364-Y418 HydrophobicContact CZ-CG 4.21Å; Y389-Y418 WeakPolarHBondContact CD2-O 3.49Å; S416-Y418 VanDerWaalsContact C-N 3.33Å; S416-Y418 PolarHBondContact OG-N 2.92Å; S416-Y418 PolarHBondContact OG-O 3.38Å; S416-Y418 VanDerWaalsContact OG-O 3.08Å; Y418-I420 PolarHBondContact O-N 2.9Å; Y418-V449 HydrophobicContact CD1-CB 4.15Å; Y418-V449 HydrophobicContact CD1-CG1 4.17Å; Y418-V449 HydrophobicContact CD2-CG1 4.43Å; Y418-V449 HydrophobicContact CE1-CB 4.24Å; Y418-V449 WeakPolarHBondContact CE1-O 2.86Å; Y418-V449 HydrophobicContact CG-CG1 4.06Å |
| 419 | P | 95.1 | Very high | 96 | Very high | 48 Ų | 48 | 17.9 Ų | 17.9 | 31% | 0.312 | 10% | 0.097 | S | C | . | . | trans | -56.4 | 130.9 | 179.5 | -23.4 | 30 | 0 | 0 | 0 | 112.6 | Y389 V447 Q448 | Y389-P419 HydrophobicContact CE1-CB 4.24Å; Y389-P419 HydrophobicContact CE2-CB 4.36Å; Y389-P419 HydrophobicContact CE2-CG 4.02Å; P419-V447 CarbonylContact O-C 3.6Å; P419-V447 WeakPolarHBondContact O-CA 3.42Å; P419-Q448 WeakPolarHBondContact CD-O 3.36Å; P419-Q448 PolarHBondContact O-N 3.25Å | ||
| 420 | I | 96.6 | Very high | 95.9 | Very high | 10 Ų | 10 | 19.1 Ų | 19.1 | 5% | 0.051 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.5 | 171.7 | -54 | 171.7 | 0 | 0 | 0 | 107.9 | L3 Y97 I391 F414 Y418 A423 L445 V447 | L3-I420 HydrophobicContact CD1-CB 4.24Å; L3-I420 HydrophobicContact CD1-CG2 4.28Å; L3-I420 VanDerWaalsContact CD1-O 3.26Å; L3-I420 WeakPolarHBondContact CD1-O 3.29Å; L3-I420 HydrophobicContact CD2-CG2 4.16Å; Y97-I420 HydrophobicContact CD2-CD1 4.27Å; Y97-I420 HydrophobicContact CE2-CB 4.37Å; Y97-I420 HydrophobicContact CE2-CD1 4.19Å; I391-I420 HydrophobicContact CD1-CD1 3.84Å; I391-I420 HydrophobicContact CD1-CG2 4.16Å; I391-I420 HydrophobicContact CG1-CD1 3.72Å; F414-I420 HydrophobicContact CD1-CD1 3.79Å; F414-I420 HydrophobicContact CE1-CD1 3.74Å; F414-I420 HydrophobicContact CE1-CG1 4.05Å; Y418-I420 PolarHBondContact O-N 2.9Å; I420-A423 HydrophobicContact CG2-CB 4.48Å; I420-L445 HydrophobicContact CD1-CD2 4.19Å; I420-L445 HydrophobicContact CG2-CD2 4.19Å; I420-V447 HydrophobicContact CG1-CG1 4.25Å |
| 421 | M | 94.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 20 Ų | 20 | 18% | 0.177 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -48.8 | 179.4 | -60.8 | 179.7 | 66 | 0 | 0 | 111.3 | K446 Q448 R457 V459 | M421-K446 HydrophobicContact CB-CG 4.47Å; M421-K446 PolarHBondContact N-O 2.97Å; M421-K446 HydrophobicContact SD-CD 4.4Å; M421-K446 HydrophobicContact SD-CG 4.35Å; M421-Q448 HydrophobicContact CG-CB 4.02Å; M421-Q448 HydrophobicContact SD-CB 3.81Å; M421-R457 VanDerWaalsContact CE-CD 3.47Å; M421-V459 HydrophobicContact SD-CG1 3.73Å |
| 422 | D | 97 | Very high | 95 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 10% | 0.096 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 143.9 | -176.3 | -62.4 | -82.7 | 0 | 0 | 0 | 109.4 | M1 L445 K446 F491 T495 | M1-D422 WeakPolarHBondContact CA-OD1 3.47Å; M1-D422 HydrophobicContact CB-CB 4.44Å; M1-D422 VanDerWaalsContact CB-OD1 3.22Å; M1-D422 WeakPolarHBondContact CB-OD1 3.27Å; M1-D422 WeakPolarHBondContact CG-OD1 3.34Å; M1-D422 PolarHBondContact N-OD1 3.13Å; M1-D422 HydrophobicContact SD-CB 4.47Å; D422-L445 WeakPolarHBondContact O-CA 3.48Å; D422-K446 HydrophobicContact CB-CB 4.04Å; D422-K446 PolarHBondContact N-O 3.36Å; D422-K446 PolarHBondContact O-N 3.18Å; D422-F491 HydrophobicContact CB-CE2 4.36Å; D422-F491 HydrophobicContact CB-CZ 4.02Å; D422-T495 HydrophobicContact CB-CG2 3.68Å |
| 423 | A | 97.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 134.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L3 Y95 I391 I420 F444 L445 | L3-A423 HydrophobicContact CD2-CB 3.89Å; Y95-A423 HydrophobicContact CE1-CB 4.06Å; Y95-A423 WeakPolarHBondContact CE1-O 3.41Å; Y95-A423 HydrophobicContact CE2-CB 4.28Å; Y95-A423 PolarHBondContact OH-O 2.89Å; I391-A423 HydrophobicContact CD1-CB 3.38Å; I420-A423 HydrophobicContact CG2-CB 4.48Å; A423-F444 CarbonylContact C-O 3.57Å; A423-F444 VanDerWaalsContact CA-O 3.23Å; A423-F444 WeakPolarHBondContact CA-O 3.17Å; A423-L445 HydrophobicContact CB-CD2 4.44Å |
| 424 | A | 97.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 F444 F491 | M1-A424 HydrophobicContact SD-CB 4.47Å; A424-F444 PolarHBondContact N-O 3.09Å; A424-F444 PolarHBondContact O-N 2.95Å; A424-F491 HydrophobicContact CB-CD2 3.62Å; A424-F491 HydrophobicContact CB-CE2 3.65Å |
| 425 | Y | 96.9 | Very high | 92.9 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.7 | 176.4 | 163.2 | -95.6 | 0 | 0 | 0 | 109.6 | P94 V394 V396 L412 C427 S439 A442 | P94-Y425 HydrophobicContact CB-CD1 4.12Å; V394-Y425 HydrophobicContact CG1-CD1 4.39Å; V394-Y425 HydrophobicContact CG1-CD2 3.34Å; V394-Y425 HydrophobicContact CG1-CE2 3.97Å; V394-Y425 HydrophobicContact CG1-CG 3.59Å; V396-Y425 HydrophobicContact CG1-CE1 4.31Å; V396-Y425 HydrophobicContact CG2-CE1 4.44Å; L412-Y425 HydrophobicContact CD1-CE2 4.4Å; Y425-C427 HydrophobicContact CE1-CB 4.08Å; Y425-C427 WeakPolarHBondContact OH-CA 2.97Å; Y425-C427 WeakPolarHBondContact OH-CB 3.41Å; Y425-S439 WeakPolarHBondContact OH-CB 3.31Å; Y425-S439 PolarHBondContact OH-O 3.12Å; Y425-S439 PolarHBondContact OH-OG 3.29Å; Y425-A442 WeakPolarHBondContact CA-O 3.21Å; Y425-A442 WeakPolarHBondContact CD2-O 3.11Å |
| 426 | H | 95.4 | Very high | 92.2 | Very high | 59 Ų | 59 | 34.1 Ų | 34.1 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.2 | 178.4 | -65.8 | -102.7 | 0 | 0 | 0 | 109.7 | G441 A442 F444 W487 | H426-G441 CarbonylContact O-C 3.51Å; H426-G441 WeakPolarHBondContact O-CA 3.3Å; H426-A442 PolarHBondContact N-O 2.97Å; H426-A442 PolarHBondContact O-N 3.13Å; H426-F444 HydrophobicContact CB-CE2 4.31Å; H426-F444 AromaticContact CD2-CD2 3.77Å; H426-F444 AromaticContact CD2-CE2 3.6Å; H426-W487 HydrophobicContact CB-CD2 3.7Å; H426-W487 HydrophobicContact CB-CE3 3.42Å; H426-W487 VanDerWaalsContact CB-CE3 3.42Å; H426-W487 HydrophobicContact CB-CG 4.45Å; H426-W487 HydrophobicContact CB-CH2 3.82Å; H426-W487 HydrophobicContact CB-CZ2 4.09Å; H426-W487 HydrophobicContact CB-CZ3 3.47Å; H426-W487 VanDerWaalsContact CB-CZ3 3.47Å; H426-W487 AromaticContact CG-CD2 3.91Å |
| 427 | C | 94.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 17% | 0.169 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.8 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | V396 Y425 K440 | V396-C427 HydrophobicContact CG2-CB 4.06Å; Y425-C427 HydrophobicContact CE1-CB 4.08Å; Y425-C427 WeakPolarHBondContact OH-CA 2.97Å; Y425-C427 WeakPolarHBondContact OH-CB 3.41Å; C427-K440 PolarHBondContact SG-O 3.17Å |
| 428 | Y | 94 | Very high | 91.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | trans | -69.7 | 132 | 171.2 | -62.4 | -59.4 | 0 | 0 | 0 | 110.3 | K440 G441 T465 L467 Q480 M483 W487 | Y428-K440 PolarHBondContact N-O 2.85Å; Y428-G441 VanDerWaalsContact CD2-CA 3.44Å; Y428-G441 VanDerWaalsContact CE2-CA 3.47Å; Y428-T465 PolarHBondContact OH-OG1 3.47Å; Y428-L467 HydrophobicContact CD2-CD2 4.47Å; Y428-L467 HydrophobicContact CE2-CD2 3.54Å; Y428-Q480 HydrophobicContact CD1-CB 3.88Å; Y428-Q480 HydrophobicContact CD1-CG 3.67Å; Y428-Q480 HydrophobicContact CD2-CB 4.37Å; Y428-Q480 HydrophobicContact CD2-CG 3.98Å; Y428-Q480 HydrophobicContact CE1-CB 3.79Å; Y428-Q480 HydrophobicContact CE1-CG 4.13Å; Y428-Q480 WeakPolarHBondContact CE1-O 3.46Å; Y428-Q480 HydrophobicContact CE2-CB 4.33Å; Y428-Q480 HydrophobicContact CE2-CG 4.44Å; Y428-Q480 HydrophobicContact CG-CB 4.18Å; Y428-Q480 HydrophobicContact CG-CG 3.6Å; Y428-M483 HydrophobicContact CD1-CB 4.35Å; Y428-M483 HydrophobicContact CD1-CE 4.04Å; Y428-M483 HydrophobicContact CD1-SD 4.35Å; Y428-M483 HydrophobicContact CE1-CB 4.19Å; Y428-W487 AromaticContact CD1-CH2 3.67Å; Y428-W487 HydrophobicContact CD1-CH2 3.67Å; Y428-W487 AromaticContact CD1-CZ3 3.52Å; Y428-W487 HydrophobicContact CD1-CZ3 3.52Å; Y428-W487 HydrophobicContact CE1-CE3 4.18Å; Y428-W487 AromaticContact CE1-CH2 3.98Å; Y428-W487 HydrophobicContact CE1-CH2 3.98Å; Y428-W487 AromaticContact CE1-CZ3 3.36Å; Y428-W487 HydrophobicContact CE1-CZ3 3.36Å; Y428-W487 HydrophobicContact CG-CZ3 4.49Å | ||
| 429 | P | 90.4 | Very high | 91 | Very high | 73 Ų | 73 | 35.5 Ų | 35.5 | 47% | 0.474 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -19.4 | -176.9 | 31.7 | -35.9 | 0 | 0 | 0 | 113.4 | M483 | P429-M483 WeakPolarHBondContact CD-SD 3.49Å; P429-M483 HydrophobicContact CG-CE 4.17Å; P429-M483 HydrophobicContact CG-SD 3.85Å |
| 430 | N | 88.9 | Confident | 90.9 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 19.9 | -164.1 | 66.8 | -13.1 | 0 | 0 | 0 | 114.8 | V476 E479 Q480 | N430-V476 PolarHBondContact ND2-O 2.9Å; N430-V476 WeakPolarHBondContact O-CG1 3.1Å; N430-E479 WeakPolarHBondContact ND2-CB 3.48Å; N430-E479 PolarHBondContact ND2-OE2 3.22Å; N430-Q480 WeakPolarHBondContact OD1-CG 3.21Å; N430-Q480 PolarHBondContact OD1-NE2 3.22Å |
| 431 | G | 84.2 | Confident | 90.9 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 19% | 0.186 | 20% | 0.2 | C | C | . | . | trans | -60.8 | 139.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | S436 | G431-S436 WeakPolarHBondContact O-CB 3.39Š| ||
| 432 | K | 86.6 | Confident | 91.1 | Very high | 89 Ų | 89 | 31.5 Ų | 31.5 | 39% | 0.387 | 19% | 0.192 | S | C | . | . | trans | -117.2 | 158.6 | -177.1 | -71.8 | -173.8 | -172.6 | 169.1 | 0 | 112.9 | D435 S436 Q468 I470 D473 V476 | K432-D435 WeakPolarHBondContact O-CB 3.42Å; K432-D435 PolarHBondContact O-N 3.44Å; K432-S436 PolarHBondContact O-N 2.87Å; K432-Q468 PolarHBondContact O-NE2 3.04Å; K432-Q468 VanDerWaalsContact O-NE2 3.11Å; K432-I470 HydrophobicContact CB-CD1 4.44Å; K432-D473 WeakPolarHBondContact CD-OD1 3.45Å; K432-D473 WeakPolarHBondContact CD-OD2 3.38Å; K432-D473 IonicContact NZ-OD1 3.64Å; K432-D473 PolarHBondContact NZ-OD1 3.43Å; K432-V476 HydrophobicContact CD-CG2 3.86Å; K432-V476 VanDerWaalsContact CE-CG2 3.42Å; K432-V476 HydrophobicContact CG-CG2 4.24Å | ||
| 433 | G | 86.5 | Confident | 91.2 | Very high | 50 Ų | 50 | 30.7 Ų | 30.7 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | 59.1 | -136 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D435 S436 | G433-D435 VanDerWaalsContact C-N 3.29Å; G433-D435 PolarHBondContact O-N 2.84Å; G433-S436 VanDerWaalsContact O-CB 3.3Å; G433-S436 WeakPolarHBondContact O-CB 3.37Å; G433-S436 PolarHBondContact O-N 3.39Å; G433-S436 PolarHBondContact O-OG 3.15Å |
| 434 | T | 81.6 | Confident | 91.2 | Very high | 109 Ų | 109 | 30.5 Ų | 30.5 | 67% | 0.669 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -64.1 | -33.1 | 177.3 | 46.5 | 0 | 0 | 0 | 0 | 112.7 | S436 L437 | T434-S436 PolarHBondContact O-N 2.94Å; T434-L437 WeakPolarHBondContact O-CB 3.29Å; T434-L437 PolarHBondContact O-N 3.19Å |
| 435 | D | 84.1 | Confident | 91.3 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -64.9 | -21.6 | 177.5 | -74.9 | 12.3 | 0 | 0 | 0 | 112.3 | K432 G433 L437 A438 K440 A469 | K432-D435 WeakPolarHBondContact O-CB 3.42Å; K432-D435 PolarHBondContact O-N 3.44Å; G433-D435 VanDerWaalsContact C-N 3.29Å; G433-D435 PolarHBondContact O-N 2.84Å; D435-L437 PolarHBondContact O-N 3.43Å; D435-A438 PolarHBondContact O-N 3.18Å; D435-A438 VanDerWaalsContact O-N 3.1Å; D435-A438 VanDerWaalsContact O-O 3.04Å; D435-K440 HydrophobicContact CB-CD 4.21Å; D435-K440 IonicContact OD1-NZ 3.72Å; D435-K440 WeakPolarHBondContact OD2-CD 3.38Å; D435-K440 WeakPolarHBondContact OD2-CE 3.43Å; D435-K440 IonicContact OD2-NZ 2.72Å; D435-K440 PolarHBondContact OD2-NZ 3.14Å; D435-A469 WeakPolarHBondContact OD2-CB 3.23Å; D435-A469 PolarHBondContact OD2-N 3.17Å |
| 436 | S | 84.6 | Confident | 91.3 | Very high | 32 Ų | 32 | 29 Ų | 29 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -61.6 | -23 | 173.5 | 75.1 | 0 | 0 | 0 | 0 | 112.9 | K406 G431 K432 G433 T434 | K406-S436 VanDerWaalsContact CD-O 3.24Å; K406-S436 WeakPolarHBondContact CD-O 3.36Å; K406-S436 WeakPolarHBondContact CE-O 3.4Å; K406-S436 PolarHBondContact NZ-O 2.72Å; G431-S436 WeakPolarHBondContact O-CB 3.39Å; K432-S436 PolarHBondContact O-N 2.87Å; G433-S436 VanDerWaalsContact O-CB 3.3Å; G433-S436 WeakPolarHBondContact O-CB 3.37Å; G433-S436 PolarHBondContact O-N 3.39Å; G433-S436 PolarHBondContact O-OG 3.15Å; T434-S436 PolarHBondContact O-N 2.94Å |
| 437 | L | 85.3 | Confident | 91.4 | Very high | 77 Ų | 77 | 26.1 Ų | 26.1 | 40% | 0.403 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -88 | -15.9 | 178.5 | -53.6 | 177.4 | 0 | 0 | 0 | 112.8 | K406 F407 V408 T434 D435 | K406-L437 CarbonylContact C-O 3.37Å; K406-L437 WeakPolarHBondContact CA-O 3.45Å; F407-L437 HydrophobicContact CD2-CB 4.28Å; F407-L437 HydrophobicContact CD2-CD2 3.78Å; F407-L437 HydrophobicContact CD2-CG 4.45Å; F407-L437 HydrophobicContact CE2-CD2 3.99Å; F407-L437 PolarHBondContact N-O 2.95Å; V408-L437 PolarHBondContact N-O 2.87Å; V408-L437 VanDerWaalsContact N-O 3.12Å; T434-L437 WeakPolarHBondContact O-CB 3.29Å; T434-L437 PolarHBondContact O-N 3.19Å; D435-L437 PolarHBondContact O-N 3.43Å |
| 438 | A | 88.6 | Confident | 91.4 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -93.6 | 145.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F371 K406 V408 D435 K440 | F371-A438 HydrophobicContact CE1-CB 4.49Å; K406-A438 WeakPolarHBondContact CD-O 3.03Å; K406-A438 PolarHBondContact NZ-O 3.04Å; V408-A438 HydrophobicContact CB-CB 4.47Å; D435-A438 PolarHBondContact O-N 3.18Å; D435-A438 VanDerWaalsContact O-N 3.1Å; D435-A438 VanDerWaalsContact O-O 3.04Å; A438-K440 HydrophobicContact CB-CG 4.31Å; A438-K440 PolarHBondContact O-N 3.38Å |
| 439 | S | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 60.5 | 171.5 | 75.4 | 0 | 0 | 0 | 0 | 110 | G395 V396 V408 N409 S410 Y425 | G395-S439 VanDerWaalsContact CA-OG 3.31Å; G395-S439 WeakPolarHBondContact CA-OG 3.3Å; V396-S439 PolarHBondContact N-OG 3.48Å; V396-S439 VanDerWaalsContact O-CB 3.29Å; V396-S439 WeakPolarHBondContact O-CB 3.5Å; V408-S439 PolarHBondContact O-N 2.83Å; N409-S439 WeakPolarHBondContact CA-OG 3.27Å; N409-S439 PolarHBondContact O-N 3.29Å; S410-S439 WeakPolarHBondContact CA-O 3.4Å; S410-S439 WeakPolarHBondContact CB-O 3.39Å; S410-S439 PolarHBondContact N-OG 2.81Å; Y425-S439 WeakPolarHBondContact OH-CB 3.31Å; Y425-S439 PolarHBondContact OH-O 3.12Å; Y425-S439 PolarHBondContact OH-OG 3.29Å |
| 440 | K | 93.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 24 Ų | 24 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | trans | -59.1 | 141.3 | 172.8 | -75.5 | -164 | 167.9 | -168.5 | 0 | 110.1 | C427 Y428 D435 A438 H466 L467 | C427-K440 PolarHBondContact SG-O 3.17Å; Y428-K440 PolarHBondContact N-O 2.85Å; D435-K440 HydrophobicContact CB-CD 4.21Å; D435-K440 IonicContact OD1-NZ 3.72Å; D435-K440 WeakPolarHBondContact OD2-CD 3.38Å; D435-K440 WeakPolarHBondContact OD2-CE 3.43Å; D435-K440 IonicContact OD2-NZ 2.72Å; D435-K440 PolarHBondContact OD2-NZ 3.14Å; A438-K440 HydrophobicContact CB-CG 4.31Å; A438-K440 PolarHBondContact O-N 3.38Å; K440-H466 VanDerWaalsContact CE-CE1 3.49Å; K440-H466 WeakPolarHBondContact CE-CE1 3.48Å; K440-H466 WeakPolarHBondContact CE-NE2 3.41Å; K440-H466 PolarHBondContact NZ-CD2 3.12Å; K440-H466 PolarHBondContact NZ-CE1 3.43Å; K440-H466 PolarHBondContact NZ-NE2 3.48Å; K440-L467 WeakPolarHBondContact CD-O 3.47Å; K440-L467 PolarHBondContact NZ-O 3.05Å | ||
| 441 | G | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | -170.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H426 Y428 T465 H466 | H426-G441 CarbonylContact O-C 3.51Å; H426-G441 WeakPolarHBondContact O-CA 3.3Å; Y428-G441 VanDerWaalsContact CD2-CA 3.44Å; Y428-G441 VanDerWaalsContact CE2-CA 3.47Å; G441-T465 WeakPolarHBondContact O-CA 3.32Å; G441-T465 PolarHBondContact O-OG1 3.26Å; G441-H466 PolarHBondContact O-N 3.2Å |
| 442 | A | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y425 H426 F444 C464 L484 | Y425-A442 WeakPolarHBondContact CA-O 3.21Å; Y425-A442 WeakPolarHBondContact CD2-O 3.11Å; H426-A442 PolarHBondContact N-O 2.97Å; H426-A442 PolarHBondContact O-N 3.13Å; A442-F444 HydrophobicContact CB-CE1 4.35Å; A442-F444 HydrophobicContact CB-CE2 3.64Å; A442-F444 HydrophobicContact CB-CZ 3.51Å; A442-C464 CarbonylContact C-O 3.54Å; A442-C464 WeakPolarHBondContact CA-O 3.29Å; A442-L484 HydrophobicContact CB-CD1 3.82Å |
| 443 | L | 98.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.7 | 172.4 | 176.9 | 70.2 | 0 | 0 | 0 | 108.6 | I391 V394 L412 F414 L445 S463 C464 | I391-L443 HydrophobicContact CG2-CD1 4.37Å; I391-L443 HydrophobicContact CG2-CD2 4.22Å; V394-L443 HydrophobicContact CG1-CD1 4.1Å; V394-L443 HydrophobicContact CG2-CD1 4.39Å; V394-L443 HydrophobicContact CG2-CD2 4.17Å; L412-L443 HydrophobicContact CD1-CB 3.94Å; F414-L443 HydrophobicContact CB-CD2 3.86Å; L443-L445 HydrophobicContact CD2-CD1 3.9Å; L443-L445 HydrophobicContact CD2-CG 4.44Å; L443-L445 HydrophobicContact CG-CD1 3.88Å; L443-L445 HydrophobicContact CG-CG 4.22Å; L443-S463 CarbonylContact O-C 3.56Å; L443-S463 VanDerWaalsContact O-CA 3.26Å; L443-S463 WeakPolarHBondContact O-CA 3.42Å; L443-C464 PolarHBondContact N-O 2.91Å; L443-C464 PolarHBondContact O-N 3.23Å |
| 444 | F | 98.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.1 | -179.9 | -55.1 | -87 | 0 | 0 | 0 | 109.6 | A423 A424 H426 A442 S463 L484 W487 L488 F491 | A423-F444 CarbonylContact C-O 3.57Å; A423-F444 VanDerWaalsContact CA-O 3.23Å; A423-F444 WeakPolarHBondContact CA-O 3.17Å; A424-F444 PolarHBondContact N-O 3.09Å; A424-F444 PolarHBondContact O-N 2.95Å; H426-F444 HydrophobicContact CB-CE2 4.31Å; H426-F444 AromaticContact CD2-CD2 3.77Å; H426-F444 AromaticContact CD2-CE2 3.6Å; A442-F444 HydrophobicContact CB-CE1 4.35Å; A442-F444 HydrophobicContact CB-CE2 3.64Å; A442-F444 HydrophobicContact CB-CZ 3.51Å; F444-S463 VanDerWaalsContact CD1-OG 3.26Å; F444-S463 WeakPolarHBondContact CD1-OG 3.13Å; F444-L484 HydrophobicContact CE1-CD1 3.96Å; F444-L484 HydrophobicContact CZ-CD1 3.96Å; F444-W487 HydrophobicContact CE1-CB 4.17Å; F444-W487 HydrophobicContact CE2-CB 3.83Å; F444-W487 HydrophobicContact CE2-CE3 4.33Å; F444-W487 HydrophobicContact CZ-CB 3.43Å; F444-W487 VanDerWaalsContact CZ-CB 3.43Å; F444-W487 HydrophobicContact CZ-CE3 4.25Å; F444-W487 HydrophobicContact CZ-CG 4.44Å; F444-L488 HydrophobicContact CD1-CD2 3.97Å; F444-L488 HydrophobicContact CD1-CG 4.46Å; F444-L488 HydrophobicContact CE1-CD2 3.77Å; F444-L488 HydrophobicContact CE1-CG 3.84Å; F444-F491 HydrophobicContact CB-CB 4.16Å; F444-F491 HydrophobicContact CB-CD1 3.63Å; F444-F491 HydrophobicContact CB-CD2 3.78Å; F444-F491 HydrophobicContact CB-CE1 3.86Å; F444-F491 HydrophobicContact CB-CE2 4.02Å; F444-F491 HydrophobicContact CB-CG 3.57Å; F444-F491 HydrophobicContact CB-CZ 4.05Å; F444-F491 HydrophobicContact CD1-CB 4.39Å; F444-F491 HydrophobicContact CG-CB 4.24Å; F444-F491 HydrophobicContact CG-CD1 4.47Å; F444-F491 HydrophobicContact CG-CG 4.18Å |
| 445 | L | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.1 | -175.5 | -59.3 | 117.2 | 0 | 0 | 0 | 110.8 | I391 F414 I420 D422 A423 L443 Y461 I462 | I391-L445 HydrophobicContact CD1-CD2 3.73Å; F414-L445 HydrophobicContact CB-CD1 4.14Å; F414-L445 HydrophobicContact CB-CD2 4.19Å; F414-L445 HydrophobicContact CD1-CD1 4.17Å; F414-L445 HydrophobicContact CD1-CD2 3.28Å; F414-L445 HydrophobicContact CD1-CG 4.32Å; F414-L445 HydrophobicContact CD2-CD1 3.66Å; F414-L445 HydrophobicContact CD2-CD2 4.32Å; F414-L445 HydrophobicContact CE1-CD1 4.46Å; F414-L445 HydrophobicContact CE1-CD2 3.55Å; F414-L445 HydrophobicContact CE1-CG 4.47Å; F414-L445 HydrophobicContact CE2-CD1 4Å; F414-L445 HydrophobicContact CG-CD1 3.72Å; F414-L445 HydrophobicContact CG-CD2 3.67Å; F414-L445 HydrophobicContact CG-CG 4.35Å; F414-L445 HydrophobicContact CZ-CD1 4.36Å; F414-L445 HydrophobicContact CZ-CD2 4.17Å; I420-L445 HydrophobicContact CD1-CD2 4.19Å; I420-L445 HydrophobicContact CG2-CD2 4.19Å; D422-L445 WeakPolarHBondContact O-CA 3.48Å; A423-L445 HydrophobicContact CB-CD2 4.44Å; L443-L445 HydrophobicContact CD2-CD1 3.9Å; L443-L445 HydrophobicContact CD2-CG 4.44Å; L443-L445 HydrophobicContact CG-CD1 3.88Å; L443-L445 HydrophobicContact CG-CG 4.22Å; L445-Y461 WeakPolarHBondContact O-CA 3.49Å; L445-I462 HydrophobicContact CB-CB 4.46Å; L445-I462 PolarHBondContact N-O 3.46Å; L445-I462 PolarHBondContact O-N 3.42Å |
| 446 | K | 97.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.2 | 166.2 | -173 | -177.3 | -179.5 | -172.5 | 0 | 108.5 | M421 D422 V459 G460 Y461 F491 T495 E505 | M421-K446 HydrophobicContact CB-CG 4.47Å; M421-K446 PolarHBondContact N-O 2.97Å; M421-K446 HydrophobicContact SD-CD 4.4Å; M421-K446 HydrophobicContact SD-CG 4.35Å; D422-K446 HydrophobicContact CB-CB 4.04Å; D422-K446 PolarHBondContact N-O 3.36Å; D422-K446 PolarHBondContact O-N 3.18Å; K446-V459 HydrophobicContact CG-CB 4.45Å; K446-G460 WeakPolarHBondContact CA-O 3.45Å; K446-Y461 HydrophobicContact CB-CD1 4.32Å; K446-Y461 HydrophobicContact CB-CE1 4.07Å; K446-Y461 HydrophobicContact CD-CE1 4.06Å; K446-Y461 HydrophobicContact CG-CD1 4.42Å; K446-Y461 HydrophobicContact CG-CE1 3.95Å; K446-F491 HydrophobicContact CB-CE1 4.23Å; K446-F491 HydrophobicContact CB-CZ 4.31Å; K446-T495 PolarHBondContact NZ-O 3.12Å; K446-E505 IonicContact NZ-OE1 2.93Å; K446-E505 PolarHBondContact NZ-OE1 3.31Å; K446-E505 IonicContact NZ-OE2 2.68Å; K446-E505 PolarHBondContact NZ-OE2 2.81Å |
| 447 | V | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.4 | -178 | -68.1 | 0 | 0 | 0 | 0 | 110.9 | F364 F414 P419 I420 V449 V459 G460 I462 F509 | F364-V447 HydrophobicContact CE1-CB 4.21Å; F364-V447 HydrophobicContact CE1-CG1 4.12Å; F364-V447 HydrophobicContact CE1-CG2 3.78Å; F364-V447 HydrophobicContact CZ-CG2 3.96Å; F414-V447 HydrophobicContact CE1-CG1 4.5Å; F414-V447 HydrophobicContact CZ-CG1 4.34Å; P419-V447 CarbonylContact O-C 3.6Å; P419-V447 WeakPolarHBondContact O-CA 3.42Å; I420-V447 HydrophobicContact CG1-CG1 4.25Å; V447-V449 HydrophobicContact CG2-CG1 3.92Å; V447-V459 CarbonylContact O-C 3.59Å; V447-V459 WeakPolarHBondContact O-CA 3.31Å; V447-G460 WeakPolarHBondContact CG2-O 3.45Å; V447-G460 PolarHBondContact N-O 2.81Å; V447-G460 PolarHBondContact O-N 2.9Å; V447-I462 HydrophobicContact CG2-CD1 4.19Å; V447-F509 HydrophobicContact CG2-CE2 4.24Å; V447-F509 HydrophobicContact CG2-CZ 4.01Å |
| 448 | Q | 94.9 | Very high | 92.3 | Very high | 51 Ų | 51 | 25.1 Ų | 25.1 | 24% | 0.238 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.5 | 170.9 | 178.4 | 173.5 | -20.1 | 0 | 0 | 109.4 | P419 M421 R457 | P419-Q448 WeakPolarHBondContact CD-O 3.36Å; P419-Q448 PolarHBondContact O-N 3.25Å; M421-Q448 HydrophobicContact CG-CB 4.02Å; M421-Q448 HydrophobicContact SD-CB 3.81Å; Q448-R457 HydrophobicContact CG-CG 3.78Å |
| 449 | V | 93.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -9.8 | -173.9 | -62.8 | 0 | 0 | 0 | 0 | 114.6 | W115 F124 F364 Y418 V447 I458 A508 F509 | W115-V449 HydrophobicContact CE3-CG2 4.27Å; W115-V449 HydrophobicContact CZ3-CG2 4.34Å; F124-V449 HydrophobicContact CE1-CB 3.65Å; F124-V449 HydrophobicContact CE1-CG1 3.9Å; F124-V449 HydrophobicContact CE1-CG2 4.18Å; F124-V449 HydrophobicContact CZ-CB 3.79Å; F124-V449 HydrophobicContact CZ-CG1 4.36Å; F124-V449 HydrophobicContact CZ-CG2 3.8Å; F364-V449 HydrophobicContact CZ-CG1 3.95Å; Y418-V449 HydrophobicContact CD1-CB 4.15Å; Y418-V449 HydrophobicContact CD1-CG1 4.17Å; Y418-V449 HydrophobicContact CD2-CG1 4.43Å; Y418-V449 HydrophobicContact CE1-CB 4.24Å; Y418-V449 WeakPolarHBondContact CE1-O 2.86Å; Y418-V449 HydrophobicContact CG-CG1 4.06Å; V447-V449 HydrophobicContact CG2-CG1 3.92Å; V449-I458 HydrophobicContact CG2-CB 4.09Å; V449-I458 HydrophobicContact CG2-CG2 3.62Å; V449-I458 PolarHBondContact N-O 3Å; V449-A508 HydrophobicContact CG2-CB 4.21Å; V449-F509 HydrophobicContact CG1-CE1 3.9Å; V449-F509 HydrophobicContact CG1-CZ 3.81Å; V449-F509 HydrophobicContact CG2-CE1 4.4Å |
| 450 | G | 91.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.7 | -166.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | W115 I458 | W115-G450 CarbonylContact O-C 3.54Å; W115-G450 WeakPolarHBondContact O-CA 3.47Å; G450-I458 PolarHBondContact N-O 2.87Å; G450-I458 PolarHBondContact O-N 2.98Å |
| 451 | S | 89.5 | Confident | 93.1 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155.8 | 172.2 | 77 | 0 | 0 | 0 | 0 | 109.9 | W115 K116 Q456 | W115-S451 PolarHBondContact O-N 2.88Å; K116-S451 CarbonylContact C-O 3.4Å; K116-S451 WeakPolarHBondContact CA-O 3.1Å; K116-S451 WeakPolarHBondContact CD-OG 3.31Å; K116-S451 PolarHBondContact NZ-OG 3.48Å; S451-Q456 CarbonylContact C-O 3.57Å; S451-Q456 WeakPolarHBondContact CA-O 3.39Å |
| 452 | T | 87.1 | Confident | 93.2 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.043 | 12% | 0.124 | C | C | . | . | trans | -81.8 | 170.8 | 169.4 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | A117 Q454 D455 Q456 I458 L506 | A117-T452 HydrophobicContact CB-CG2 4.46Å; T452-Q454 PolarHBondContact O-N 3.39Å; T452-Q454 PolarHBondContact OG1-N 3.05Å; T452-Q454 PolarHBondContact OG1-OE1 2.63Å; T452-D455 PolarHBondContact O-N 2.91Å; T452-Q456 HydrophobicContact CG2-CB 4.01Å; T452-Q456 PolarHBondContact N-O 2.8Å; T452-Q456 VanDerWaalsContact OG1-CB 3.3Å; T452-Q456 WeakPolarHBondContact OG1-CB 3.09Å; T452-Q456 PolarHBondContact OG1-N 3.06Å; T452-Q456 VanDerWaalsContact OG1-N 3.11Å; T452-Q456 PolarHBondContact OG1-OE1 2.86Å; T452-I458 HydrophobicContact CG2-CD1 4.34Å; T452-I458 HydrophobicContact CG2-CG1 4.21Å; T452-L506 HydrophobicContact CG2-CD1 3.41Å; T452-L506 VanDerWaalsContact CG2-CD1 3.41Å; T452-L506 HydrophobicContact CG2-CG 4.37Å | ||
| 453 | P | 84 | Confident | 93.3 | Very high | 78 Ų | 78 | 24.6 Ų | 24.6 | 51% | 0.506 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19 | 169.9 | -23.5 | 37.2 | 0 | 0 | 0 | 113.4 | K116 A118 D455 | K116-P453 WeakPolarHBondContact O-CD 3.49Å; A118-P453 HydrophobicContact CB-CG 4.01Å; P453-D455 VanDerWaalsContact C-N 3.29Å |
| 454 | Q | 84.7 | Confident | 93.2 | Very high | 137 Ų | 137 | 24.6 Ų | 24.6 | 64% | 0.64 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 15.1 | 175.1 | -59.1 | 77.2 | 15.5 | 0 | 0 | 112.5 | T452 Q456 | T452-Q454 PolarHBondContact O-N 3.39Å; T452-Q454 PolarHBondContact OG1-N 3.05Å; T452-Q454 PolarHBondContact OG1-OE1 2.63Å; Q454-Q456 PolarHBondContact O-N 2.82Å; Q454-Q456 VanDerWaalsContact O-N 3.17Å |
| 455 | D | 83.8 | Confident | 93.2 | Very high | 124 Ų | 124 | 24.7 Ų | 24.7 | 66% | 0.663 | 13% | 0.125 | S | C | * | . | trans | 58.4 | 22.5 | -178.1 | -67.8 | -34.3 | 0 | 0 | 0 | 114.7 | T452 P453 | T452-D455 PolarHBondContact O-N 2.91Å; P453-D455 VanDerWaalsContact C-N 3.29Å | ||
| 456 | Q | 87.6 | Confident | 93.2 | Very high | 35 Ų | 35 | 24.7 Ų | 24.7 | 16% | 0.164 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -74 | 141.5 | 168.6 | -60.4 | 165.1 | -60.6 | 0 | 0 | 109.1 | S451 T452 Q454 E504 L506 | S451-Q456 CarbonylContact C-O 3.57Å; S451-Q456 WeakPolarHBondContact CA-O 3.39Å; T452-Q456 HydrophobicContact CG2-CB 4.01Å; T452-Q456 PolarHBondContact N-O 2.8Å; T452-Q456 VanDerWaalsContact OG1-CB 3.3Å; T452-Q456 WeakPolarHBondContact OG1-CB 3.09Å; T452-Q456 PolarHBondContact OG1-N 3.06Å; T452-Q456 VanDerWaalsContact OG1-N 3.11Å; T452-Q456 PolarHBondContact OG1-OE1 2.86Å; Q454-Q456 PolarHBondContact O-N 2.82Å; Q454-Q456 VanDerWaalsContact O-N 3.17Å; Q456-E504 WeakPolarHBondContact CB-O 3.4Å; Q456-E504 HydrophobicContact CG-CB 4.22Å; Q456-E504 PolarHBondContact NE2-OE2 3.38Å; Q456-L506 HydrophobicContact CB-CG 4.34Å |
| 457 | R | 90.4 | Very high | 93.2 | Very high | 63 Ų | 63 | 24.6 Ų | 24.6 | 24% | 0.238 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.8 | -177.3 | -174.2 | -177.7 | -72.9 | 138.3 | -0.2 | 109.8 | M421 Q448 V459 E504 E505 L506 | M421-R457 VanDerWaalsContact CE-CD 3.47Å; Q448-R457 HydrophobicContact CG-CG 3.78Å; R457-V459 HydrophobicContact CG-CG1 3.81Å; R457-E504 PolarHBondContact N-O 2.96Å; R457-E505 HydrophobicContact CB-CG 4.49Å; R457-E505 IonicContact NH1-OE1 3.74Å; R457-E505 CarbonylContact O-C 3.55Å; R457-E505 WeakPolarHBondContact O-CA 3.29Å; R457-L506 PolarHBondContact O-N 2.73Å |
| 458 | I | 92.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.5 | 172.7 | -47.8 | 173.5 | 0 | 0 | 0 | 108.9 | W115 A117 V449 G450 T452 L506 A508 W627 | W115-I458 HydrophobicContact CD2-CD1 4.16Å; W115-I458 HydrophobicContact CE3-CD1 3.85Å; W115-I458 HydrophobicContact CE3-CG2 4.06Å; W115-I458 HydrophobicContact CH2-CG2 4.48Å; W115-I458 HydrophobicContact CZ3-CD1 4.11Å; W115-I458 HydrophobicContact CZ3-CG2 3.64Å; A117-I458 HydrophobicContact CB-CD1 3.61Å; V449-I458 HydrophobicContact CG2-CB 4.09Å; V449-I458 HydrophobicContact CG2-CG2 3.62Å; V449-I458 PolarHBondContact N-O 3Å; G450-I458 PolarHBondContact N-O 2.87Å; G450-I458 PolarHBondContact O-N 2.98Å; T452-I458 HydrophobicContact CG2-CD1 4.34Å; T452-I458 HydrophobicContact CG2-CG1 4.21Å; I458-L506 CarbonylContact C-O 3.54Å; I458-L506 WeakPolarHBondContact CA-O 3.48Å; I458-A508 HydrophobicContact CG2-CB 3.84Å; I458-W627 HydrophobicContact CB-CH2 4.3Å; I458-W627 HydrophobicContact CD1-CH2 3.77Å; I458-W627 HydrophobicContact CD1-CZ2 4.42Å; I458-W627 HydrophobicContact CG1-CH2 3.84Å; I458-W627 HydrophobicContact CG2-CH2 3.51Å; I458-W627 HydrophobicContact CG2-CZ3 3.53Å |
| 459 | V | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 158.5 | -174.5 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | M421 K446 V447 R457 E505 L506 V507 A508 | M421-V459 HydrophobicContact SD-CG1 3.73Å; K446-V459 HydrophobicContact CG-CB 4.45Å; V447-V459 CarbonylContact O-C 3.59Å; V447-V459 WeakPolarHBondContact O-CA 3.31Å; R457-V459 HydrophobicContact CG-CG1 3.81Å; V459-E505 HydrophobicContact CG1-CG 4.49Å; V459-E505 HydrophobicContact CG2-CB 4.31Å; V459-L506 PolarHBondContact N-O 2.91Å; V459-V507 HydrophobicContact CG2-CG2 4.03Å; V459-V507 CarbonylContact O-C 3.55Å; V459-V507 WeakPolarHBondContact O-CA 3.36Å; V459-A508 PolarHBondContact O-N 3Å |
| 460 | G | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K446 V447 F509 | K446-G460 WeakPolarHBondContact CA-O 3.45Å; V447-G460 WeakPolarHBondContact CG2-O 3.45Å; V447-G460 PolarHBondContact N-O 2.81Å; V447-G460 PolarHBondContact O-N 2.9Å; G460-F509 WeakPolarHBondContact CA-O 3.5Å |
| 461 | Y | 98.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 136.1 | 176.8 | -70 | -84.2 | 0 | 0 | 0 | 110.5 | L445 K446 F491 R492 T495 V507 F509 D510 V511 | L445-Y461 WeakPolarHBondContact O-CA 3.49Å; K446-Y461 HydrophobicContact CB-CD1 4.32Å; K446-Y461 HydrophobicContact CB-CE1 4.07Å; K446-Y461 HydrophobicContact CD-CE1 4.06Å; K446-Y461 HydrophobicContact CG-CD1 4.42Å; K446-Y461 HydrophobicContact CG-CE1 3.95Å; Y461-F491 HydrophobicContact CD1-CD1 4.04Å; Y461-F491 AromaticContact CD1-CE1 3.87Å; Y461-F491 HydrophobicContact CD1-CE1 3.87Å; Y461-F491 HydrophobicContact CE1-CD1 4.16Å; Y461-F491 HydrophobicContact CE1-CE1 4Å; Y461-R492 HydrophobicContact CE2-CG 4.33Å; Y461-T495 WeakPolarHBondContact CE1-OG1 3.25Å; Y461-T495 PolarHBondContact OH-OG1 3Å; Y461-V507 HydrophobicContact CD2-CG1 3.85Å; Y461-V507 HydrophobicContact CE2-CG1 4.12Å; Y461-V507 HydrophobicContact CE2-CG2 3.97Å; Y461-F509 PolarHBondContact N-O 3.03Å; Y461-D510 WeakPolarHBondContact O-CA 3.43Å; Y461-V511 PolarHBondContact O-N 2.81Å |
| 462 | I | 98.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.4 | 178.7 | -54.1 | 167.8 | 0 | 0 | 0 | 108.5 | F126 F364 F414 L445 V447 F509 V511 | F126-I462 HydrophobicContact CD1-CD1 4.36Å; F126-I462 HydrophobicContact CE1-CD1 3.97Å; F126-I462 HydrophobicContact CE1-CG1 4.06Å; F364-I462 HydrophobicContact CB-CD1 3.86Å; F364-I462 HydrophobicContact CD1-CD1 3.31Å; F364-I462 HydrophobicContact CD2-CD1 3.9Å; F364-I462 HydrophobicContact CE1-CD1 3.74Å; F364-I462 HydrophobicContact CE2-CD1 4.28Å; F364-I462 HydrophobicContact CG-CD1 3.39Å; F364-I462 HydrophobicContact CZ-CD1 4.22Å; F414-I462 HydrophobicContact CE2-CB 4.37Å; F414-I462 HydrophobicContact CE2-CD1 3.87Å; F414-I462 HydrophobicContact CE2-CG2 3.99Å; F414-I462 HydrophobicContact CZ-CD1 3.83Å; L445-I462 HydrophobicContact CB-CB 4.46Å; L445-I462 PolarHBondContact N-O 3.46Å; L445-I462 PolarHBondContact O-N 3.42Å; V447-I462 HydrophobicContact CG2-CD1 4.19Å; I462-F509 HydrophobicContact CD1-CE2 4.09Å; I462-F509 HydrophobicContact CG1-CE2 3.87Å; I462-V511 CarbonylContact C-O 3.51Å; I462-V511 WeakPolarHBondContact CA-O 3.4Å |
| 463 | S | 98.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.6 | 176.4 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | L443 F444 L488 V511 I512 C513 | L443-S463 CarbonylContact O-C 3.56Å; L443-S463 VanDerWaalsContact O-CA 3.26Å; L443-S463 WeakPolarHBondContact O-CA 3.42Å; F444-S463 VanDerWaalsContact CD1-OG 3.26Å; F444-S463 WeakPolarHBondContact CD1-OG 3.13Å; S463-L488 WeakPolarHBondContact OG-CD2 2.95Å; S463-V511 PolarHBondContact N-O 2.78Å; S463-I512 CarbonylContact O-C 3.38Å; S463-I512 WeakPolarHBondContact O-CA 3.33Å; S463-C513 PolarHBondContact O-N 2.85Å |
| 464 | C | 98.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.3 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | C366 Q368 A442 L443 C513 | C366-C464 HydrophobicContact CB-CB 3.89Å; Q368-C464 PolarHBondContact NE2-SG 3.23Å; A442-C464 CarbonylContact C-O 3.54Å; A442-C464 WeakPolarHBondContact CA-O 3.29Å; L443-C464 PolarHBondContact N-O 2.91Å; L443-C464 PolarHBondContact O-N 3.23Å; C464-C513 VanDerWaalsContact CA-O 3.31Å; C464-C513 WeakPolarHBondContact CA-O 3.34Å |
| 465 | T | 98.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 158.3 | -178.7 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | Y428 G441 L467 L484 C513 G514 D515 L516 | Y428-T465 PolarHBondContact OH-OG1 3.47Å; G441-T465 WeakPolarHBondContact O-CA 3.32Å; G441-T465 PolarHBondContact O-OG1 3.26Å; T465-L467 HydrophobicContact CG2-CD2 4.33Å; T465-L467 WeakPolarHBondContact OG1-CD2 3.28Å; T465-L484 HydrophobicContact CG2-CD2 4.19Å; T465-C513 PolarHBondContact N-O 3.28Å; T465-G514 WeakPolarHBondContact O-CA 3.3Å; T465-D515 PolarHBondContact O-N 3.15Å; T465-L516 HydrophobicContact CG2-CD2 3.49Å; T465-L516 VanDerWaalsContact CG2-CD2 3.49Å |
| 466 | H | 98.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 110.5 | 167.9 | -175.6 | -177.6 | 0 | 0 | 0 | 108.7 | Q368 E369 L412 K440 G441 D515 N517 | Q368-H466 HydrophobicContact CG-CB 4.26Å; E369-H466 IonicContact OE1-CE1 2.93Å; E369-H466 PolarHBondContact OE1-CE1 3.26Å; L412-H466 HydrophobicContact CD2-CB 4.05Å; K440-H466 VanDerWaalsContact CE-CE1 3.49Å; K440-H466 WeakPolarHBondContact CE-CE1 3.48Å; K440-H466 WeakPolarHBondContact CE-NE2 3.41Å; K440-H466 PolarHBondContact NZ-CD2 3.12Å; K440-H466 PolarHBondContact NZ-CE1 3.43Å; K440-H466 PolarHBondContact NZ-NE2 3.48Å; G441-H466 PolarHBondContact O-N 3.2Å; H466-D515 WeakPolarHBondContact CA-O 3.42Å; H466-D515 IonicContact NE2-OD2 3.17Å; H466-N517 PolarHBondContact CD2-ND2 3.25Å; H466-N517 VanDerWaalsContact CD2-ND2 3.34Å; H466-N517 PolarHBondContact NE2-ND2 3.09Å; H466-N517 VanDerWaalsContact NE2-ND2 3.2Å |
| 467 | L | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -84.8 | 173.3 | -175.9 | -56.7 | -168 | 0 | 0 | 0 | 112.9 | Y428 K440 T465 A469 R477 Q480 L481 D515 L516 N517 F518 | Y428-L467 HydrophobicContact CD2-CD2 4.47Å; Y428-L467 HydrophobicContact CE2-CD2 3.54Å; K440-L467 WeakPolarHBondContact CD-O 3.47Å; K440-L467 PolarHBondContact NZ-O 3.05Å; T465-L467 HydrophobicContact CG2-CD2 4.33Å; T465-L467 WeakPolarHBondContact OG1-CD2 3.28Å; L467-A469 PolarHBondContact O-N 3.4Å; L467-R477 HydrophobicContact CB-CG 4.41Å; L467-Q480 HydrophobicContact CD2-CB 3.96Å; L467-L481 HydrophobicContact CD1-CD2 3.83Å; L467-L481 HydrophobicContact CD1-CG 4.01Å; L467-D515 PolarHBondContact N-O 3.3Å; L467-L516 HydrophobicContact CD1-CB 4.01Å; L467-L516 HydrophobicContact CD1-CD2 3.92Å; L467-L516 HydrophobicContact CD1-CG 4.49Å; L467-L516 HydrophobicContact CG-CB 4.44Å; L467-L516 HydrophobicContact CG-CD2 3.97Å; L467-N517 PolarHBondContact O-ND2 3.12Å; L467-N517 VanDerWaalsContact O-ND2 3.16Å; L467-F518 HydrophobicContact CD1-CE1 4.26Å | ||
| 468 | Q | 95.2 | Very high | 92 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | trans | -54.5 | 124.6 | 175.8 | 177.8 | 67 | 34.7 | 0 | 0 | 112.3 | K432 I470 D473 V476 R477 N517 | K432-Q468 PolarHBondContact O-NE2 3.04Å; K432-Q468 VanDerWaalsContact O-NE2 3.11Å; Q468-I470 VanDerWaalsContact NE2-CD1 3.35Å; Q468-I470 VanDerWaalsContact NE2-CG1 3.3Å; Q468-D473 HydrophobicContact CG-CB 4.07Å; Q468-V476 HydrophobicContact CB-CB 4.47Å; Q468-V476 HydrophobicContact CB-CG1 3.8Å; Q468-V476 HydrophobicContact CG-CB 4.33Å; Q468-V476 HydrophobicContact CG-CG1 3.91Å; Q468-R477 HydrophobicContact CB-CG 4.09Å; Q468-R477 PolarHBondContact O-NH1 3Å; Q468-N517 VanDerWaalsContact O-CB 3.26Å; Q468-N517 WeakPolarHBondContact O-CB 3.32Å | ||
| 469 | A | 89.4 | Confident | 92.2 | Very high | 39 Ų | 39 | 23 Ų | 23 | 32% | 0.322 | 15% | 0.153 | S | C | . | . | trans | -85.9 | -23.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D435 L467 A471 N517 | D435-A469 WeakPolarHBondContact OD2-CB 3.23Å; D435-A469 PolarHBondContact OD2-N 3.17Å; L467-A469 PolarHBondContact O-N 3.4Å; A469-A471 PolarHBondContact O-N 2.92Å; A469-A471 VanDerWaalsContact O-N 3.12Å; A469-N517 VanDerWaalsContact CA-CG 3.49Å | ||
| 470 | I | 76.8 | Confident | 92.4 | Very high | 61 Ų | 61 | 23 Ų | 23 | 31% | 0.313 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -61.1 | 120.8 | -176.2 | -63.9 | 176.1 | 0 | 0 | 0 | 110.1 | K432 Q468 G472 D473 R477 | K432-I470 HydrophobicContact CB-CD1 4.44Å; Q468-I470 VanDerWaalsContact NE2-CD1 3.35Å; Q468-I470 VanDerWaalsContact NE2-CG1 3.3Å; I470-G472 PolarHBondContact O-N 3.37Å; I470-D473 HydrophobicContact CB-CB 4.36Å; I470-D473 WeakPolarHBondContact CB-OD2 3.26Å; I470-D473 HydrophobicContact CG2-CB 4.49Å; I470-D473 WeakPolarHBondContact CG2-OD2 3.28Å; I470-D473 PolarHBondContact O-N 2.97Å; I470-R477 PolarHBondContact O-NH1 2.86Å |
| 471 | A | 71.9 | Confident | 92.4 | Very high | 75 Ų | 75 | 23 Ų | 23 | 62% | 0.62 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 132.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A469 | A469-A471 PolarHBondContact O-N 2.92Å; A469-A471 VanDerWaalsContact O-N 3.12Å |
| 472 | G | 70.4 | Confident | 92.4 | Very high | 53 Ų | 53 | 26.4 Ų | 26.4 | 55% | 0.546 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -6.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I470 T474 | I470-G472 PolarHBondContact O-N 3.37Å; G472-T474 PolarHBondContact O-N 3.47Å |
| 473 | D | 85 | Confident | 92.4 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | trans | -80.4 | 44.9 | 170.9 | -90.6 | -34.1 | 0 | 0 | 0 | 112.4 | K432 Q468 I470 T475 V476 R477 | K432-D473 WeakPolarHBondContact CD-OD1 3.45Å; K432-D473 WeakPolarHBondContact CD-OD2 3.38Å; K432-D473 IonicContact NZ-OD1 3.64Å; K432-D473 PolarHBondContact NZ-OD1 3.43Å; Q468-D473 HydrophobicContact CG-CB 4.07Å; I470-D473 HydrophobicContact CB-CB 4.36Å; I470-D473 WeakPolarHBondContact CB-OD2 3.26Å; I470-D473 HydrophobicContact CG2-CB 4.49Å; I470-D473 WeakPolarHBondContact CG2-OD2 3.28Å; I470-D473 PolarHBondContact O-N 2.97Å; D473-T475 VanDerWaalsContact C-N 3.3Å; D473-T475 PolarHBondContact O-N 2.85Å; D473-V476 HydrophobicContact CB-CB 4.36Å; D473-V476 HydrophobicContact CB-CG2 4.23Å; D473-V476 WeakPolarHBondContact O-CB 3.17Å; D473-V476 PolarHBondContact O-N 3.27Å; D473-V476 VanDerWaalsContact O-N 3.08Å; D473-R477 PolarHBondContact O-N 3.21Å | ||
| 474 | T | 88.4 | Confident | 92.4 | Very high | 16 Ų | 16 | 28 Ų | 28 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.5 | -42.1 | -176.7 | -69.9 | 0 | 0 | 0 | 0 | 113.7 | G472 V476 R477 C478 E524 L527 E528 | G472-T474 PolarHBondContact O-N 3.47Å; T474-V476 VanDerWaalsContact C-N 3.26Å; T474-V476 PolarHBondContact O-N 3.38Å; T474-R477 PolarHBondContact O-N 2.73Å; T474-C478 PolarHBondContact O-N 2.95Å; T474-C478 PolarHBondContact O-SG 3.3Å; T474-C478 VanDerWaalsContact O-SG 3.4Å; T474-E524 PolarHBondContact OG1-O 2.84Å; T474-L527 HydrophobicContact CG2-CB 3.55Å; T474-L527 HydrophobicContact CG2-CD1 3.7Å; T474-L527 HydrophobicContact CG2-CG 3.9Å; T474-E528 WeakPolarHBondContact CA-OE1 3.49Å; T474-E528 WeakPolarHBondContact CB-OE1 3.41Å; T474-E528 VanDerWaalsContact CG2-CD 3.41Å; T474-E528 HydrophobicContact CG2-CG 4.4Å; T474-E528 WeakPolarHBondContact CG2-OE2 3.38Å; T474-E528 PolarHBondContact OG1-OE1 2.89Å; T474-E528 PolarHBondContact OG1-OE2 3.5Å |
| 475 | T | 92.9 | Very high | 92.4 | Very high | 82 Ų | 82 | 29.6 Ų | 29.6 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.6 | -36.7 | -179.1 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | D473 C478 E479 | D473-T475 VanDerWaalsContact C-N 3.3Å; D473-T475 PolarHBondContact O-N 2.85Å; T475-C478 PolarHBondContact O-N 3.28Å; T475-E479 WeakPolarHBondContact O-CG 3.44Å; T475-E479 PolarHBondContact O-N 3.36Å |
| 476 | V | 94.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 177.4 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | N430 K432 Q468 D473 T474 E479 Q480 | N430-V476 PolarHBondContact ND2-O 2.9Å; N430-V476 WeakPolarHBondContact O-CG1 3.1Å; K432-V476 HydrophobicContact CD-CG2 3.86Å; K432-V476 VanDerWaalsContact CE-CG2 3.42Å; K432-V476 HydrophobicContact CG-CG2 4.24Å; Q468-V476 HydrophobicContact CB-CB 4.47Å; Q468-V476 HydrophobicContact CB-CG1 3.8Å; Q468-V476 HydrophobicContact CG-CB 4.33Å; Q468-V476 HydrophobicContact CG-CG1 3.91Å; D473-V476 HydrophobicContact CB-CB 4.36Å; D473-V476 HydrophobicContact CB-CG2 4.23Å; D473-V476 WeakPolarHBondContact O-CB 3.17Å; D473-V476 PolarHBondContact O-N 3.27Å; D473-V476 VanDerWaalsContact O-N 3.08Å; T474-V476 VanDerWaalsContact C-N 3.26Å; T474-V476 PolarHBondContact O-N 3.38Å; V476-E479 PolarHBondContact O-N 2.93Å; V476-Q480 HydrophobicContact CG1-CG 4.47Å; V476-Q480 WeakPolarHBondContact O-CG 3.25Å; V476-Q480 PolarHBondContact O-N 3.3Å |
| 477 | R | 97.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 178 | -72.2 | -170.2 | -67.3 | -102.7 | 6.4 | 112.3 | L467 Q468 I470 D473 T474 Q480 L481 L516 N517 D525 E528 | L467-R477 HydrophobicContact CB-CG 4.41Å; Q468-R477 HydrophobicContact CB-CG 4.09Å; Q468-R477 PolarHBondContact O-NH1 3Å; I470-R477 PolarHBondContact O-NH1 2.86Å; D473-R477 PolarHBondContact O-N 3.21Å; T474-R477 PolarHBondContact O-N 2.73Å; R477-Q480 PolarHBondContact O-N 2.99Å; R477-L481 VanDerWaalsContact O-CG 3.28Å; R477-L481 WeakPolarHBondContact O-CG 3.17Å; R477-L481 PolarHBondContact O-N 2.86Å; R477-L516 WeakPolarHBondContact CD-O 3.25Å; R477-N517 PolarHBondContact NH1-O 3.39Å; R477-D525 IonicContact CZ-OD1 2.6Å; R477-D525 IonicContact NH2-OD1 3.28Å; R477-D525 PolarHBondContact NH2-OD1 3.2Å; R477-E528 HydrophobicContact CB-CG 3.88Å; R477-E528 IonicContact CZ-OE1 2.82Å; R477-E528 IonicContact NE-OE1 2.86Å; R477-E528 PolarHBondContact NE-OE1 2.85Å; R477-E528 IonicContact NH2-OE1 2.8Å; R477-E528 PolarHBondContact NH2-OE1 3.09Å |
| 478 | C | 97.7 | Very high | 92.4 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 173.5 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | T474 T475 Q480 L481 D482 H531 | T474-C478 PolarHBondContact O-N 2.95Å; T474-C478 PolarHBondContact O-SG 3.3Å; T474-C478 VanDerWaalsContact O-SG 3.4Å; T475-C478 PolarHBondContact O-N 3.28Å; C478-Q480 PolarHBondContact O-N 3.08Å; C478-L481 WeakPolarHBondContact O-CB 3.13Å; C478-L481 PolarHBondContact O-N 3.38Å; C478-D482 PolarHBondContact O-N 3.25Å; C478-H531 PolarHBondContact O-NE2 2.96Å |
| 479 | E | 97.3 | Very high | 92.3 | Very high | 94 Ų | 94 | 41.1 Ų | 41.1 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.7 | -35.7 | 176.1 | -72.4 | 170.3 | -169.8 | 0 | 0 | 112.4 | N430 T475 V476 D482 M483 | N430-E479 WeakPolarHBondContact ND2-CB 3.48Å; N430-E479 PolarHBondContact ND2-OE2 3.22Å; T475-E479 WeakPolarHBondContact O-CG 3.44Å; T475-E479 PolarHBondContact O-N 3.36Å; V476-E479 PolarHBondContact O-N 2.93Å; E479-D482 PolarHBondContact O-N 2.95Å; E479-M483 HydrophobicContact CB-CE 4.34Å; E479-M483 VanDerWaalsContact O-CE 3.26Å; E479-M483 WeakPolarHBondContact O-CE 3.45Å; E479-M483 WeakPolarHBondContact O-CG 3.49Å; E479-M483 PolarHBondContact O-N 3.36Å |
| 480 | Q | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.2 | -37 | 174.5 | -69.8 | 175.5 | -8.7 | 0 | 0 | 112.6 | Y428 N430 L467 V476 R477 C478 M483 L484 | Y428-Q480 HydrophobicContact CD1-CB 3.88Å; Y428-Q480 HydrophobicContact CD1-CG 3.67Å; Y428-Q480 HydrophobicContact CD2-CB 4.37Å; Y428-Q480 HydrophobicContact CD2-CG 3.98Å; Y428-Q480 HydrophobicContact CE1-CB 3.79Å; Y428-Q480 HydrophobicContact CE1-CG 4.13Å; Y428-Q480 WeakPolarHBondContact CE1-O 3.46Å; Y428-Q480 HydrophobicContact CE2-CB 4.33Å; Y428-Q480 HydrophobicContact CE2-CG 4.44Å; Y428-Q480 HydrophobicContact CG-CB 4.18Å; Y428-Q480 HydrophobicContact CG-CG 3.6Å; N430-Q480 WeakPolarHBondContact OD1-CG 3.21Å; N430-Q480 PolarHBondContact OD1-NE2 3.22Å; L467-Q480 HydrophobicContact CD2-CB 3.96Å; V476-Q480 HydrophobicContact CG1-CG 4.47Å; V476-Q480 WeakPolarHBondContact O-CG 3.25Å; V476-Q480 PolarHBondContact O-N 3.3Å; R477-Q480 PolarHBondContact O-N 2.99Å; C478-Q480 PolarHBondContact O-N 3.08Å; Q480-M483 HydrophobicContact CG-CE 4.16Å; Q480-M483 PolarHBondContact O-N 3.45Å; Q480-L484 WeakPolarHBondContact O-CB 3.43Å; Q480-L484 PolarHBondContact O-N 2.96Å |
| 481 | L | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 174.2 | -69 | 166.8 | 0 | 0 | 0 | 111.8 | L467 R477 C478 L484 Q485 F518 E528 H531 L533 | L467-L481 HydrophobicContact CD1-CD2 3.83Å; L467-L481 HydrophobicContact CD1-CG 4.01Å; R477-L481 VanDerWaalsContact O-CG 3.28Å; R477-L481 WeakPolarHBondContact O-CG 3.17Å; R477-L481 PolarHBondContact O-N 2.86Å; C478-L481 WeakPolarHBondContact O-CB 3.13Å; C478-L481 PolarHBondContact O-N 3.38Å; L481-L484 HydrophobicContact CD2-CD2 4.47Å; L481-L484 PolarHBondContact O-N 2.91Å; L481-Q485 WeakPolarHBondContact O-CG 3.17Å; L481-Q485 PolarHBondContact O-N 3.39Å; L481-Q485 VanDerWaalsContact O-N 3.1Å; L481-F518 HydrophobicContact CD1-CE1 3.82Å; L481-F518 HydrophobicContact CD1-CZ 4.18Å; L481-F518 HydrophobicContact CD2-CE1 4.28Å; L481-E528 HydrophobicContact CD1-CB 4.25Å; L481-H531 VanDerWaalsContact C-CE1 3.43Å; L481-H531 WeakPolarHBondContact CB-CE1 3.39Å; L481-H531 VanDerWaalsContact CB-NE2 3.33Å; L481-H531 WeakPolarHBondContact CB-NE2 3.22Å; L481-H531 HydrophobicContact CD1-CB 3.97Å; L481-L533 HydrophobicContact CD2-CD2 3.76Å |
| 482 | D | 98.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.4 | -51.6 | 171.5 | -70.2 | -41.4 | 0 | 0 | 0 | 110.2 | C478 E479 L484 Q485 D486 H531 | C478-D482 PolarHBondContact O-N 3.25Å; E479-D482 PolarHBondContact O-N 2.95Å; D482-L484 VanDerWaalsContact C-N 3.29Å; D482-L484 PolarHBondContact O-N 3.33Å; D482-Q485 WeakPolarHBondContact O-CB 3.43Å; D482-Q485 PolarHBondContact O-N 3.04Å; D482-Q485 VanDerWaalsContact O-N 3.16Å; D482-D486 PolarHBondContact O-N 2.78Å; D482-D486 VanDerWaalsContact O-N 3.11Å; D482-H531 PolarHBondContact N-NE2 3.32Å; D482-H531 IonicContact OD1-CE1 2.88Å; D482-H531 IonicContact OD1-NE2 2.68Å; D482-H531 PolarHBondContact OD1-NE2 2.76Å; D482-H531 VanDerWaalsContact OD1-NE2 3.07Å |
| 483 | M | 98.4 | Very high | 95.7 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 18% | 0.177 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 176.4 | -75.3 | -176.8 | -84.3 | 0 | 0 | 112.4 | Y428 P429 E479 Q480 Q485 D486 W487 | Y428-M483 HydrophobicContact CD1-CB 4.35Å; Y428-M483 HydrophobicContact CD1-CE 4.04Å; Y428-M483 HydrophobicContact CD1-SD 4.35Å; Y428-M483 HydrophobicContact CE1-CB 4.19Å; P429-M483 WeakPolarHBondContact CD-SD 3.49Å; P429-M483 HydrophobicContact CG-CE 4.17Å; P429-M483 HydrophobicContact CG-SD 3.85Å; E479-M483 HydrophobicContact CB-CE 4.34Å; E479-M483 VanDerWaalsContact O-CE 3.26Å; E479-M483 WeakPolarHBondContact O-CE 3.45Å; E479-M483 WeakPolarHBondContact O-CG 3.49Å; E479-M483 PolarHBondContact O-N 3.36Å; Q480-M483 HydrophobicContact CG-CE 4.16Å; Q480-M483 PolarHBondContact O-N 3.45Å; M483-Q485 PolarHBondContact O-N 3.23Å; M483-D486 PolarHBondContact O-N 3.5Å; M483-W487 HydrophobicContact CB-CD2 4.33Å; M483-W487 HydrophobicContact CB-CE3 4.3Å; M483-W487 HydrophobicContact CB-CH2 3.95Å; M483-W487 HydrophobicContact CB-CZ2 3.94Å; M483-W487 HydrophobicContact CB-CZ3 4.14Å; M483-W487 HydrophobicContact CG-CH2 4.43Å; M483-W487 HydrophobicContact CG-CZ2 4.19Å; M483-W487 WeakPolarHBondContact O-CB 3.45Å; M483-W487 VanDerWaalsContact O-CD2 3.25Å; M483-W487 PolarHBondContact O-N 3.35Å; M483-W487 HydrophobicContact SD-CH2 3.99Å; M483-W487 HydrophobicContact SD-CZ2 3.96Å |
| 484 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 176.6 | 177.6 | 61.5 | 0 | 0 | 0 | 111.3 | A442 F444 T465 Q480 L481 D482 W487 L488 I512 L533 | A442-L484 HydrophobicContact CB-CD1 3.82Å; F444-L484 HydrophobicContact CE1-CD1 3.96Å; F444-L484 HydrophobicContact CZ-CD1 3.96Å; T465-L484 HydrophobicContact CG2-CD2 4.19Å; Q480-L484 WeakPolarHBondContact O-CB 3.43Å; Q480-L484 PolarHBondContact O-N 2.96Å; L481-L484 HydrophobicContact CD2-CD2 4.47Å; L481-L484 PolarHBondContact O-N 2.91Å; D482-L484 VanDerWaalsContact C-N 3.29Å; D482-L484 PolarHBondContact O-N 3.33Å; L484-W487 PolarHBondContact O-N 3.19Å; L484-L488 HydrophobicContact CD1-CD1 4.35Å; L484-L488 HydrophobicContact CD1-CG 4.35Å; L484-L488 HydrophobicContact CG-CD1 4.1Å; L484-L488 WeakPolarHBondContact O-CB 3.29Å; L484-L488 WeakPolarHBondContact O-CD1 3.29Å; L484-L488 WeakPolarHBondContact O-CG 3.35Å; L484-L488 PolarHBondContact O-N 2.94Å; L484-I512 HydrophobicContact CD2-CG2 4.31Å; L484-L533 HydrophobicContact CD2-CD2 4.17Å |
| 485 | Q | 97.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 177 | -73.9 | 179 | 7.6 | 0 | 0 | 113.3 | L481 D482 M483 L488 S489 H531 S532 L533 | L481-Q485 WeakPolarHBondContact O-CG 3.17Å; L481-Q485 PolarHBondContact O-N 3.39Å; L481-Q485 VanDerWaalsContact O-N 3.1Å; D482-Q485 WeakPolarHBondContact O-CB 3.43Å; D482-Q485 PolarHBondContact O-N 3.04Å; D482-Q485 VanDerWaalsContact O-N 3.16Å; M483-Q485 PolarHBondContact O-N 3.23Å; Q485-L488 PolarHBondContact O-N 2.9Å; Q485-S489 PolarHBondContact O-N 3.13Å; Q485-S489 PolarHBondContact O-OG 3.3Å; Q485-S489 VanDerWaalsContact O-OG 3.13Å; Q485-H531 PolarHBondContact NE2-CE1 2.88Å; Q485-H531 PolarHBondContact NE2-ND1 2.64Å; Q485-H531 VanDerWaalsContact NE2-ND1 3.18Å; Q485-S532 PolarHBondContact NE2-OG 3.12Å; Q485-S532 PolarHBondContact OE1-OG 3.46Å; Q485-S532 VanDerWaalsContact OE1-OG 3.07Å; Q485-L533 HydrophobicContact CG-CB 4.48Å; Q485-L533 HydrophobicContact CG-CD1 3.66Å; Q485-L533 VanDerWaalsContact NE2-CB 3.33Å |
| 486 | D | 97.9 | Very high | 95.9 | Very high | 109 Ų | 109 | 48 Ų | 48 | 58% | 0.583 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.3 | -46.3 | 178.9 | -74.4 | -18.6 | 0 | 0 | 0 | 110.5 | D482 M483 S489 E490 | D482-D486 PolarHBondContact O-N 2.78Å; D482-D486 VanDerWaalsContact O-N 3.11Å; M483-D486 PolarHBondContact O-N 3.5Å; D486-S489 PolarHBondContact O-N 2.93Å; D486-E490 WeakPolarHBondContact O-CB 3.39Å; D486-E490 PolarHBondContact O-N 2.93Å |
| 487 | W | 98.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70 | -32.7 | -179.6 | -62.6 | -23.4 | 0 | 0 | 0 | 113.4 | H426 Y428 F444 M483 L484 S489 E490 F491 | H426-W487 HydrophobicContact CB-CD2 3.7Å; H426-W487 HydrophobicContact CB-CE3 3.42Å; H426-W487 VanDerWaalsContact CB-CE3 3.42Å; H426-W487 HydrophobicContact CB-CG 4.45Å; H426-W487 HydrophobicContact CB-CH2 3.82Å; H426-W487 HydrophobicContact CB-CZ2 4.09Å; H426-W487 HydrophobicContact CB-CZ3 3.47Å; H426-W487 VanDerWaalsContact CB-CZ3 3.47Å; H426-W487 AromaticContact CG-CD2 3.91Å; Y428-W487 AromaticContact CD1-CH2 3.67Å; Y428-W487 HydrophobicContact CD1-CH2 3.67Å; Y428-W487 AromaticContact CD1-CZ3 3.52Å; Y428-W487 HydrophobicContact CD1-CZ3 3.52Å; Y428-W487 HydrophobicContact CE1-CE3 4.18Å; Y428-W487 AromaticContact CE1-CH2 3.98Å; Y428-W487 HydrophobicContact CE1-CH2 3.98Å; Y428-W487 AromaticContact CE1-CZ3 3.36Å; Y428-W487 HydrophobicContact CE1-CZ3 3.36Å; Y428-W487 HydrophobicContact CG-CZ3 4.49Å; F444-W487 HydrophobicContact CE1-CB 4.17Å; F444-W487 HydrophobicContact CE2-CB 3.83Å; F444-W487 HydrophobicContact CE2-CE3 4.33Å; F444-W487 HydrophobicContact CZ-CB 3.43Å; F444-W487 VanDerWaalsContact CZ-CB 3.43Å; F444-W487 HydrophobicContact CZ-CE3 4.25Å; F444-W487 HydrophobicContact CZ-CG 4.44Å; M483-W487 HydrophobicContact CB-CD2 4.33Å; M483-W487 HydrophobicContact CB-CE3 4.3Å; M483-W487 HydrophobicContact CB-CH2 3.95Å; M483-W487 HydrophobicContact CB-CZ2 3.94Å; M483-W487 HydrophobicContact CB-CZ3 4.14Å; M483-W487 HydrophobicContact CG-CH2 4.43Å; M483-W487 HydrophobicContact CG-CZ2 4.19Å; M483-W487 WeakPolarHBondContact O-CB 3.45Å; M483-W487 VanDerWaalsContact O-CD2 3.25Å; M483-W487 PolarHBondContact O-N 3.35Å; M483-W487 HydrophobicContact SD-CH2 3.99Å; M483-W487 HydrophobicContact SD-CZ2 3.96Å; L484-W487 PolarHBondContact O-N 3.19Å; W487-S489 VanDerWaalsContact C-N 3.34Å; W487-E490 PolarHBondContact O-N 2.92Å; W487-F491 VanDerWaalsContact O-CB 3.24Å; W487-F491 WeakPolarHBondContact O-CB 3.43Å; W487-F491 PolarHBondContact O-N 3.06Å |
| 488 | L | 97.2 | Very high | 92.5 | Very high | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.4 | -50.2 | 170.4 | -77.1 | 162.3 | 0 | 0 | 0 | 110.7 | F444 S463 L484 Q485 F491 R492 I512 L533 Y537 | F444-L488 HydrophobicContact CD1-CD2 3.97Å; F444-L488 HydrophobicContact CD1-CG 4.46Å; F444-L488 HydrophobicContact CE1-CD2 3.77Å; F444-L488 HydrophobicContact CE1-CG 3.84Å; S463-L488 WeakPolarHBondContact OG-CD2 2.95Å; L484-L488 HydrophobicContact CD1-CD1 4.35Å; L484-L488 HydrophobicContact CD1-CG 4.35Å; L484-L488 HydrophobicContact CG-CD1 4.1Å; L484-L488 WeakPolarHBondContact O-CB 3.29Å; L484-L488 WeakPolarHBondContact O-CD1 3.29Å; L484-L488 WeakPolarHBondContact O-CG 3.35Å; L484-L488 PolarHBondContact O-N 2.94Å; Q485-L488 PolarHBondContact O-N 2.9Å; L488-F491 PolarHBondContact O-N 3.32Å; L488-R492 VanDerWaalsContact O-CB 3.3Å; L488-R492 WeakPolarHBondContact O-CB 3.38Å; L488-R492 PolarHBondContact O-N 2.85Å; L488-I512 HydrophobicContact CD1-CD1 3.4Å; L488-I512 HydrophobicContact CD1-CG1 4.15Å; L488-I512 HydrophobicContact CD2-CD1 4.32Å; L488-I512 HydrophobicContact CD2-CG1 4.18Å; L488-L533 HydrophobicContact CD1-CD1 4.33Å; L488-Y537 HydrophobicContact CD1-CE2 3.93Å |
| 489 | S | 94.8 | Very high | 90.4 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 58% | 0.58 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | -179.6 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | Q485 D486 W487 K493 | Q485-S489 PolarHBondContact O-N 3.13Å; Q485-S489 PolarHBondContact O-OG 3.3Å; Q485-S489 VanDerWaalsContact O-OG 3.13Å; D486-S489 PolarHBondContact O-N 2.93Å; W487-S489 VanDerWaalsContact C-N 3.34Å; S489-K493 VanDerWaalsContact O-CB 3.29Å; S489-K493 WeakPolarHBondContact O-CB 3.44Å; S489-K493 PolarHBondContact O-N 2.88Å |
| 490 | E | 96.2 | Very high | 88.2 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 176.9 | -174.3 | 177.9 | -170.9 | 0 | 0 | 112 | D486 W487 R492 K493 S494 | D486-E490 WeakPolarHBondContact O-CB 3.39Å; D486-E490 PolarHBondContact O-N 2.93Å; W487-E490 PolarHBondContact O-N 2.92Å; E490-R492 PolarHBondContact O-N 3.36Å; E490-K493 PolarHBondContact O-N 3.4Å; E490-S494 WeakPolarHBondContact O-CB 3.31Å; E490-S494 PolarHBondContact O-N 3.04Å; E490-S494 PolarHBondContact O-OG 2.67Å |
| 491 | F | 96 | Very high | 86.2 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 179.2 | -178.6 | -106.1 | 0 | 0 | 0 | 110.7 | M1 D422 A424 F444 K446 Y461 W487 L488 K493 S494 T495 | M1-F491 HydrophobicContact CE-CD2 4.43Å; M1-F491 HydrophobicContact CE-CE2 4.37Å; M1-F491 HydrophobicContact SD-CE2 4.31Å; D422-F491 HydrophobicContact CB-CE2 4.36Å; D422-F491 HydrophobicContact CB-CZ 4.02Å; A424-F491 HydrophobicContact CB-CD2 3.62Å; A424-F491 HydrophobicContact CB-CE2 3.65Å; F444-F491 HydrophobicContact CB-CB 4.16Å; F444-F491 HydrophobicContact CB-CD1 3.63Å; F444-F491 HydrophobicContact CB-CD2 3.78Å; F444-F491 HydrophobicContact CB-CE1 3.86Å; F444-F491 HydrophobicContact CB-CE2 4.02Å; F444-F491 HydrophobicContact CB-CG 3.57Å; F444-F491 HydrophobicContact CB-CZ 4.05Å; F444-F491 HydrophobicContact CD1-CB 4.39Å; F444-F491 HydrophobicContact CG-CB 4.24Å; F444-F491 HydrophobicContact CG-CD1 4.47Å; F444-F491 HydrophobicContact CG-CG 4.18Å; K446-F491 HydrophobicContact CB-CE1 4.23Å; K446-F491 HydrophobicContact CB-CZ 4.31Å; Y461-F491 HydrophobicContact CD1-CD1 4.04Å; Y461-F491 AromaticContact CD1-CE1 3.87Å; Y461-F491 HydrophobicContact CD1-CE1 3.87Å; Y461-F491 HydrophobicContact CE1-CD1 4.16Å; Y461-F491 HydrophobicContact CE1-CE1 4Å; W487-F491 VanDerWaalsContact O-CB 3.24Å; W487-F491 WeakPolarHBondContact O-CB 3.43Å; W487-F491 PolarHBondContact O-N 3.06Å; L488-F491 PolarHBondContact O-N 3.32Å; F491-K493 PolarHBondContact O-N 3.38Å; F491-S494 PolarHBondContact O-N 3.21Å; F491-S494 PolarHBondContact O-OG 2.75Å; F491-T495 HydrophobicContact CD2-CG2 4.1Å; F491-T495 HydrophobicContact CE1-CG2 4.39Å; F491-T495 HydrophobicContact CE2-CG2 3.74Å; F491-T495 HydrophobicContact CZ-CG2 3.91Å; F491-T495 WeakPolarHBondContact O-CB 3.3Å; F491-T495 WeakPolarHBondContact O-CG2 3.31Å; F491-T495 PolarHBondContact O-N 2.83Å; F491-T495 PolarHBondContact O-OG1 3.18Å |
| 492 | R | 93.4 | Very high | 84.3 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.9 | -175.1 | 168.3 | 175.7 | 176.1 | -2.1 | 111.9 | Y461 L488 E490 S494 T495 S496 D510 G622 | Y461-R492 HydrophobicContact CE2-CG 4.33Å; L488-R492 VanDerWaalsContact O-CB 3.3Å; L488-R492 WeakPolarHBondContact O-CB 3.38Å; L488-R492 PolarHBondContact O-N 2.85Å; E490-R492 PolarHBondContact O-N 3.36Å; R492-S494 PolarHBondContact O-N 3.01Å; R492-T495 PolarHBondContact O-N 3.41Å; R492-S496 WeakPolarHBondContact O-CB 3.39Å; R492-S496 PolarHBondContact O-N 3.07Å; R492-S496 PolarHBondContact O-OG 3.23Å; R492-D510 IonicContact NH1-OD2 3.66Å; R492-G622 VanDerWaalsContact NH2-C 3.33Å; R492-G622 PolarHBondContact NH2-O 2.99Å |
| 493 | K | 92.5 | Very high | 82.7 | Confident | 176 Ų | 176 | 67.3 Ų | 67.3 | 77% | 0.765 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 176.2 | -178.1 | -178.3 | 176.9 | -176.6 | 0 | 112.5 | S489 E490 F491 T495 | S489-K493 VanDerWaalsContact O-CB 3.29Å; S489-K493 WeakPolarHBondContact O-CB 3.44Å; S489-K493 PolarHBondContact O-N 2.88Å; E490-K493 PolarHBondContact O-N 3.4Å; F491-K493 PolarHBondContact O-N 3.38Å; K493-T495 VanDerWaalsContact C-N 3.33Å; K493-T495 PolarHBondContact O-N 3.47Å |
| 494 | S | 92.7 | Very high | 81.8 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.8 | -24.5 | -176.4 | 73.3 | 0 | 0 | 0 | 0 | 113.8 | E490 F491 R492 | E490-S494 WeakPolarHBondContact O-CB 3.31Å; E490-S494 PolarHBondContact O-N 3.04Å; E490-S494 PolarHBondContact O-OG 2.67Å; F491-S494 PolarHBondContact O-N 3.21Å; F491-S494 PolarHBondContact O-OG 2.75Å; R492-S494 PolarHBondContact O-N 3.01Å |
| 495 | T | 92.3 | Very high | 81.4 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 6% | 0.055 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -108.1 | -6.6 | -176.4 | 58 | 0 | 0 | 0 | 0 | 113.4 | M1 D422 K446 Y461 F491 R492 K493 S497 | M1-T495 HydrophobicContact CE-CG2 4.05Å; M1-T495 HydrophobicContact SD-CG2 4.45Å; D422-T495 HydrophobicContact CB-CG2 3.68Å; K446-T495 PolarHBondContact NZ-O 3.12Å; Y461-T495 WeakPolarHBondContact CE1-OG1 3.25Å; Y461-T495 PolarHBondContact OH-OG1 3Å; F491-T495 HydrophobicContact CD2-CG2 4.1Å; F491-T495 HydrophobicContact CE1-CG2 4.39Å; F491-T495 HydrophobicContact CE2-CG2 3.74Å; F491-T495 HydrophobicContact CZ-CG2 3.91Å; F491-T495 WeakPolarHBondContact O-CB 3.3Å; F491-T495 WeakPolarHBondContact O-CG2 3.31Å; F491-T495 PolarHBondContact O-N 2.83Å; F491-T495 PolarHBondContact O-OG1 3.18Å; R492-T495 PolarHBondContact O-N 3.41Å; K493-T495 VanDerWaalsContact C-N 3.33Å; K493-T495 PolarHBondContact O-N 3.47Å; T495-S497 PolarHBondContact O-N 3.19Å |
| 496 | S | 85.8 | Confident | 81 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 38% | 0.378 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -70.6 | 121.7 | 172.1 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | R492 S498 | R492-S496 WeakPolarHBondContact O-CB 3.39Å; R492-S496 PolarHBondContact O-N 3.07Å; R492-S496 PolarHBondContact O-OG 3.23Å; S496-S498 PolarHBondContact O-N 3.12Å |
| 497 | S | 68 | Low | 80.9 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | trans | -68.6 | 111.1 | 177.2 | -72.3 | 0 | 0 | 0 | 0 | 110.8 | T495 N502 E505 | T495-S497 PolarHBondContact O-N 3.19Å; S497-N502 PolarHBondContact OG-ND2 2.76Å; S497-E505 PolarHBondContact N-OE2 3.46Å; S497-E505 VanDerWaalsContact OG-CD 3.28Å; S497-E505 PolarHBondContact OG-OE1 3.41Å | ||
| 498 | S | 54 | Low | 80.7 | Confident | 124 Ų | 124 | 65.7 Ų | 65.7 | 87% | 0.867 | 38% | 0.384 | S | S | * | . | trans | -104.4 | 4.2 | 167.8 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | S496 | S496-S498 PolarHBondContact O-N 3.12Š| ||
| 499 | S | 53.3 | Low | 80.7 | Confident | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | trans | -79.6 | 129.5 | -178.7 | 166.7 | 0 | 0 | 0 | 0 | 110.9 | A501 N502 | S499-A501 PolarHBondContact O-N 2.83Å; S499-A501 WeakPolarHBondContact OG-CB 3.35Å; S499-A501 PolarHBondContact OG-N 2.78Å; S499-A501 VanDerWaalsContact OG-N 3.13Å; S499-N502 PolarHBondContact O-N 2.97Å; S499-N502 VanDerWaalsContact O-N 3.17Å | ||
| 500 | T | 50.3 | Low | 80.8 | Confident | 155 Ų | 155 | 61.3 Ų | 61.3 | 95% | 0.951 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -7.4 | 171.8 | 54.2 | 0 | 0 | 0 | 0 | 114 | ||
| 501 | A | 55.3 | Low | 80.9 | Confident | 83 Ų | 83 | 55.8 Ų | 55.8 | 69% | 0.686 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -7.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | S499 | S499-A501 PolarHBondContact O-N 2.83Å; S499-A501 WeakPolarHBondContact OG-CB 3.35Å; S499-A501 PolarHBondContact OG-N 2.78Å; S499-A501 VanDerWaalsContact OG-N 3.13Å |
| 502 | N | 59.8 | Low | 81.1 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 43% | 0.428 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -106.6 | 147.1 | 177.7 | -72.8 | -13.1 | 0 | 0 | 0 | 110.5 | S497 S499 | S497-N502 PolarHBondContact OG-ND2 2.76Å; S499-N502 PolarHBondContact O-N 2.97Å; S499-N502 VanDerWaalsContact O-N 3.17Å |
| 503 | P | 64.4 | Low | 81.3 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | trans | -59.9 | 144.1 | 169.6 | 26.4 | -32.7 | 0 | 0 | 0 | 109.6 | ||||
| 504 | E | 80.3 | Confident | 81.6 | Confident | 126 Ų | 126 | 44.1 Ų | 44.1 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | trans | -54.7 | 139.8 | 173 | -170.8 | 174.8 | -166.5 | 0 | 0 | 110 | Q456 R457 L506 | Q456-E504 WeakPolarHBondContact CB-O 3.4Å; Q456-E504 HydrophobicContact CG-CB 4.22Å; Q456-E504 PolarHBondContact NE2-OE2 3.38Å; R457-E504 PolarHBondContact N-O 2.96Å; E504-L506 HydrophobicContact CG-CD2 4.45Å | ||
| 505 | E | 88.4 | Confident | 81.9 | Confident | 33 Ų | 33 | 40.8 Ų | 40.8 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.1 | -174.6 | -66 | 177.6 | 157.7 | 0 | 0 | 110.2 | K446 R457 V459 S497 | K446-E505 IonicContact NZ-OE1 2.93Å; K446-E505 PolarHBondContact NZ-OE1 3.31Å; K446-E505 IonicContact NZ-OE2 2.68Å; K446-E505 PolarHBondContact NZ-OE2 2.81Å; R457-E505 HydrophobicContact CB-CG 4.49Å; R457-E505 IonicContact NH1-OE1 3.74Å; R457-E505 CarbonylContact O-C 3.55Å; R457-E505 WeakPolarHBondContact O-CA 3.29Å; V459-E505 HydrophobicContact CG1-CG 4.49Å; V459-E505 HydrophobicContact CG2-CB 4.31Å; S497-E505 PolarHBondContact N-OE2 3.46Å; S497-E505 VanDerWaalsContact OG-CD 3.28Å; S497-E505 PolarHBondContact OG-OE1 3.41Å |
| 506 | L | 91.2 | Very high | 82.2 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.9 | 177.4 | -50.5 | -166.7 | 0 | 0 | 0 | 109.5 | T452 Q456 R457 I458 V459 E504 Y624 W627 | T452-L506 HydrophobicContact CG2-CD1 3.41Å; T452-L506 VanDerWaalsContact CG2-CD1 3.41Å; T452-L506 HydrophobicContact CG2-CG 4.37Å; Q456-L506 HydrophobicContact CB-CG 4.34Å; R457-L506 PolarHBondContact O-N 2.73Å; I458-L506 CarbonylContact C-O 3.54Å; I458-L506 WeakPolarHBondContact CA-O 3.48Å; V459-L506 PolarHBondContact N-O 2.91Å; E504-L506 HydrophobicContact CG-CD2 4.45Å; L506-Y624 HydrophobicContact CB-CD2 4.41Å; L506-Y624 HydrophobicContact CB-CG 4.34Å; L506-Y624 HydrophobicContact CD1-CD1 4.38Å; L506-Y624 HydrophobicContact CD1-CD2 4.32Å; L506-Y624 HydrophobicContact CD1-CE1 4.38Å; L506-Y624 HydrophobicContact CD1-CE2 4.3Å; L506-Y624 HydrophobicContact CD1-CG 4.34Å; L506-Y624 HydrophobicContact CD2-CD2 3.52Å; L506-Y624 HydrophobicContact CD2-CE2 3.59Å; L506-Y624 HydrophobicContact CD2-CG 4.23Å; L506-Y624 HydrophobicContact CG-CD2 4.29Å; L506-W627 HydrophobicContact CB-CH2 3.96Å; L506-W627 HydrophobicContact CB-CZ3 4.27Å; L506-W627 HydrophobicContact CD1-CH2 4.1Å; L506-W627 HydrophobicContact CD1-CZ2 3.91Å |
| 507 | V | 93.8 | Very high | 82.7 | Confident | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114.4 | -178.5 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | V459 Y461 L623 Y624 | V459-V507 HydrophobicContact CG2-CG2 4.03Å; V459-V507 CarbonylContact O-C 3.55Å; V459-V507 WeakPolarHBondContact O-CA 3.36Å; Y461-V507 HydrophobicContact CD2-CG1 3.85Å; Y461-V507 HydrophobicContact CE2-CG1 4.12Å; Y461-V507 HydrophobicContact CE2-CG2 3.97Å; V507-L623 HydrophobicContact CG1-CD2 3.91Å; V507-Y624 PolarHBondContact O-N 2.89Å; V507-Y624 VanDerWaalsContact O-N 3.12Å |
| 508 | A | 94.7 | Very high | 84.1 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -38.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | W115 F124 V449 I458 V459 W627 V629 V655 | W115-A508 HydrophobicContact CZ3-CB 4.04Å; F124-A508 HydrophobicContact CE2-CB 4.45Å; V449-A508 HydrophobicContact CG2-CB 4.21Å; I458-A508 HydrophobicContact CG2-CB 3.84Å; V459-A508 PolarHBondContact O-N 3Å; A508-W627 HydrophobicContact CB-CE3 4.31Å; A508-W627 HydrophobicContact CB-CZ3 3.88Å; A508-V629 VanDerWaalsContact O-CG2 3.29Å; A508-V629 WeakPolarHBondContact O-CG2 3.33Å; A508-V655 HydrophobicContact CB-CG1 4.41Å; A508-V655 HydrophobicContact CB-CG2 4.42Å; A508-V655 WeakPolarHBondContact O-CG2 3.49Å |
| 509 | F | 97.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 159.5 | -178.2 | 54.6 | -102.3 | 0 | 0 | 0 | 110.9 | F124 F126 F364 V447 V449 G460 Y461 I462 V511 L653 | F124-F509 HydrophobicContact CB-CD1 4.37Å; F124-F509 HydrophobicContact CB-CE1 4.14Å; F124-F509 AromaticContact CD1-CE1 3.79Å; F124-F509 HydrophobicContact CD1-CE1 3.79Å; F124-F509 AromaticContact CD2-CD1 3.67Å; F124-F509 HydrophobicContact CD2-CD1 3.67Å; F124-F509 AromaticContact CD2-CE1 3.66Å; F124-F509 HydrophobicContact CD2-CE1 3.66Å; F124-F509 HydrophobicContact CE1-CE1 4.07Å; F124-F509 HydrophobicContact CE2-CD1 4.06Å; F124-F509 AromaticContact CE2-CE1 3.94Å; F124-F509 HydrophobicContact CE2-CE1 3.94Å; F124-F509 AromaticContact CG-CD1 3.96Å; F124-F509 HydrophobicContact CG-CD1 3.96Å; F124-F509 AromaticContact CG-CE1 3.57Å; F124-F509 HydrophobicContact CG-CE1 3.57Å; F124-F509 HydrophobicContact CZ-CE1 4.12Å; F126-F509 AromaticContact CE1-CD2 3.86Å; F126-F509 HydrophobicContact CE1-CD2 3.86Å; F126-F509 AromaticContact CE1-CE2 3.64Å; F126-F509 HydrophobicContact CE1-CE2 3.64Å; F126-F509 HydrophobicContact CE1-CZ 4.13Å; F126-F509 HydrophobicContact CZ-CD1 4.05Å; F126-F509 AromaticContact CZ-CD2 3.59Å; F126-F509 HydrophobicContact CZ-CD2 3.59Å; F126-F509 HydrophobicContact CZ-CE1 4.11Å; F126-F509 AromaticContact CZ-CE2 3.66Å; F126-F509 HydrophobicContact CZ-CE2 3.66Å; F126-F509 AromaticContact CZ-CG 3.8Å; F126-F509 HydrophobicContact CZ-CG 3.8Å; F126-F509 AromaticContact CZ-CZ 3.92Å; F126-F509 HydrophobicContact CZ-CZ 3.92Å; F364-F509 HydrophobicContact CD2-CZ 4.47Å; F364-F509 HydrophobicContact CE2-CE1 4.16Å; F364-F509 HydrophobicContact CE2-CE2 4.22Å; F364-F509 AromaticContact CE2-CZ 3.53Å; F364-F509 HydrophobicContact CE2-CZ 3.53Å; F364-F509 HydrophobicContact CZ-CE1 4.42Å; F364-F509 HydrophobicContact CZ-CE2 4.43Å; F364-F509 AromaticContact CZ-CZ 3.62Å; F364-F509 HydrophobicContact CZ-CZ 3.62Å; V447-F509 HydrophobicContact CG2-CE2 4.24Å; V447-F509 HydrophobicContact CG2-CZ 4.01Å; V449-F509 HydrophobicContact CG1-CE1 3.9Å; V449-F509 HydrophobicContact CG1-CZ 3.81Å; V449-F509 HydrophobicContact CG2-CE1 4.4Å; G460-F509 WeakPolarHBondContact CA-O 3.5Å; Y461-F509 PolarHBondContact N-O 3.03Å; I462-F509 HydrophobicContact CD1-CE2 4.09Å; I462-F509 HydrophobicContact CG1-CE2 3.87Å; F509-V511 HydrophobicContact CD2-CG2 4.32Å; F509-L653 HydrophobicContact CB-CD1 4.24Å |
| 510 | D | 97.9 | Very high | 88.2 | Confident | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 113.2 | 172.9 | -177.1 | -14.7 | 0 | 0 | 0 | 108.1 | Y461 R492 Y537 Y618 T619 | Y461-D510 WeakPolarHBondContact O-CA 3.43Å; R492-D510 IonicContact NH1-OD2 3.66Å; D510-Y537 VanDerWaalsContact CG-OH 3.25Å; D510-Y537 WeakPolarHBondContact OD1-CE1 3.29Å; D510-Y537 PolarHBondContact OD1-OH 2.78Å; D510-Y537 PolarHBondContact OD2-OH 3.05Å; D510-Y537 VanDerWaalsContact OD2-OH 3.14Å; D510-Y618 WeakPolarHBondContact O-CA 3.33Å; D510-T619 HydrophobicContact CB-CG2 3.63Å; D510-T619 PolarHBondContact O-N 2.92Å; D510-T619 VanDerWaalsContact O-N 3.11Å |
| 511 | V | 98.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.3 | -166.9 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | F126 Y461 I462 S463 F509 M616 L617 M651 L653 | F126-V511 HydrophobicContact CD1-CB 4.29Å; F126-V511 HydrophobicContact CD1-CG1 4.04Å; F126-V511 HydrophobicContact CD1-CG2 4.17Å; F126-V511 HydrophobicContact CD2-CG2 4.46Å; F126-V511 HydrophobicContact CE1-CB 4.2Å; F126-V511 HydrophobicContact CE1-CG1 4.45Å; F126-V511 HydrophobicContact CE1-CG2 3.83Å; F126-V511 HydrophobicContact CE2-CG2 4.16Å; F126-V511 HydrophobicContact CG-CG1 4.32Å; F126-V511 HydrophobicContact CG-CG2 4.48Å; F126-V511 HydrophobicContact CZ-CG2 3.84Å; Y461-V511 PolarHBondContact O-N 2.81Å; I462-V511 CarbonylContact C-O 3.51Å; I462-V511 WeakPolarHBondContact CA-O 3.4Å; S463-V511 PolarHBondContact N-O 2.78Å; F509-V511 HydrophobicContact CD2-CG2 4.32Å; V511-M616 HydrophobicContact CG1-SD 3.83Å; V511-L617 VanDerWaalsContact CA-O 3.3Å; V511-L617 WeakPolarHBondContact CA-O 3.05Å; V511-L617 WeakPolarHBondContact CG1-O 3.43Å; V511-M651 HydrophobicContact CG1-CE 4.26Å; V511-M651 HydrophobicContact CG2-CE 4.21Å; V511-L653 HydrophobicContact CG2-CD1 3.74Å |
| 512 | I | 98.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.8 | 171.3 | -55.7 | 168.2 | 0 | 0 | 0 | 108.8 | S463 L484 L488 L533 Y537 L617 | S463-I512 CarbonylContact O-C 3.38Å; S463-I512 WeakPolarHBondContact O-CA 3.33Å; L484-I512 HydrophobicContact CD2-CG2 4.31Å; L488-I512 HydrophobicContact CD1-CD1 3.4Å; L488-I512 HydrophobicContact CD1-CG1 4.15Å; L488-I512 HydrophobicContact CD2-CD1 4.32Å; L488-I512 HydrophobicContact CD2-CG1 4.18Å; I512-L533 HydrophobicContact CD1-CD1 3.86Å; I512-Y537 HydrophobicContact CD1-CD1 3.47Å; I512-Y537 VanDerWaalsContact CD1-CD1 3.47Å; I512-Y537 HydrophobicContact CD1-CD2 3.52Å; I512-Y537 HydrophobicContact CD1-CE1 3.51Å; I512-Y537 HydrophobicContact CD1-CE2 3.57Å; I512-Y537 HydrophobicContact CD1-CG 3.47Å; I512-Y537 VanDerWaalsContact CD1-CG 3.47Å; I512-Y537 HydrophobicContact CG1-CD1 3.76Å; I512-Y537 HydrophobicContact CG1-CE1 3.59Å; I512-Y537 HydrophobicContact CG1-CE2 4.48Å; I512-Y537 HydrophobicContact CG1-CG 4.27Å; I512-L617 HydrophobicContact CB-CB 4.3Å; I512-L617 HydrophobicContact CB-CD1 4.43Å; I512-L617 PolarHBondContact N-O 2.95Å; I512-L617 PolarHBondContact O-N 3.33Å |
| 513 | C | 98.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 169.7 | 173.1 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | C366 S463 C464 T465 Y615 M616 | C366-C513 WeakPolarHBondContact CB-SG 3.29Å; C366-C513 PolarHBondContact SG-SG 3.42Å; S463-C513 PolarHBondContact O-N 2.85Å; C464-C513 VanDerWaalsContact CA-O 3.31Å; C464-C513 WeakPolarHBondContact CA-O 3.34Å; T465-C513 PolarHBondContact N-O 3.28Å; C513-Y615 WeakPolarHBondContact CA-O 3.18Å; C513-Y615 VanDerWaalsContact CB-O 3.23Å; C513-Y615 WeakPolarHBondContact CB-O 3.41Å; C513-M616 HydrophobicContact CB-CE 3.74Å; C513-M616 HydrophobicContact CB-SD 3.53Å; C513-M616 VanDerWaalsContact CB-SD 3.53Å |
| 514 | G | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.4 | -170.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T465 L516 D614 Y615 | T465-G514 WeakPolarHBondContact O-CA 3.3Å; G514-L516 PolarHBondContact O-N 3.14Å; G514-D614 WeakPolarHBondContact O-CA 3.32Å; G514-Y615 PolarHBondContact N-O 2.88Å; G514-Y615 VanDerWaalsContact N-O 3.08Å; G514-Y615 PolarHBondContact O-N 2.84Å |
| 515 | D | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 105.7 | 179.9 | -176.1 | -8.9 | 0 | 0 | 0 | 109.7 | N130 Q368 T465 H466 L467 N517 H646 | N130-D515 PolarHBondContact ND2-OD2 3.11Å; Q368-D515 HydrophobicContact CG-CB 4.31Å; T465-D515 PolarHBondContact O-N 3.15Å; H466-D515 WeakPolarHBondContact CA-O 3.42Å; H466-D515 IonicContact NE2-OD2 3.17Å; L467-D515 PolarHBondContact N-O 3.3Å; D515-N517 PolarHBondContact OD1-N 2.87Å; D515-N517 PolarHBondContact OD1-ND2 2.99Å; D515-H646 IonicContact OD2-CE1 2.83Å; D515-H646 PolarHBondContact OD2-CE1 3.04Å; D515-H646 VanDerWaalsContact OD2-CE1 3.28Å; D515-H646 IonicContact OD2-NE2 3.65Å |
| 516 | L | 98.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | trans | -88.9 | -7.7 | -179.5 | -55.1 | -167.5 | 0 | 0 | 0 | 112.8 | T465 L467 R477 G514 F518 I613 Y615 | T465-L516 HydrophobicContact CG2-CD2 3.49Å; T465-L516 VanDerWaalsContact CG2-CD2 3.49Å; L467-L516 HydrophobicContact CD1-CB 4.01Å; L467-L516 HydrophobicContact CD1-CD2 3.92Å; L467-L516 HydrophobicContact CD1-CG 4.49Å; L467-L516 HydrophobicContact CG-CB 4.44Å; L467-L516 HydrophobicContact CG-CD2 3.97Å; R477-L516 WeakPolarHBondContact CD-O 3.25Å; G514-L516 PolarHBondContact O-N 3.14Å; L516-F518 HydrophobicContact CB-CD1 3.74Å; L516-F518 HydrophobicContact CB-CE1 3.5Å; L516-F518 HydrophobicContact CB-CZ 4.21Å; L516-F518 HydrophobicContact CD1-CE1 3.8Å; L516-F518 HydrophobicContact CD1-CZ 3.84Å; L516-F518 HydrophobicContact CG-CE1 4.27Å; L516-F518 WeakPolarHBondContact O-CD1 3.38Å; L516-F518 PolarHBondContact O-N 3.48Å; L516-I613 PolarHBondContact N-O 3.26Å; L516-Y615 HydrophobicContact CB-CD2 3.72Å; L516-Y615 HydrophobicContact CB-CE2 3.89Å; L516-Y615 HydrophobicContact CD1-CD1 4.33Å; L516-Y615 HydrophobicContact CD1-CD2 3.44Å; L516-Y615 VanDerWaalsContact CD1-CD2 3.44Å; L516-Y615 HydrophobicContact CD1-CE2 3.98Å; L516-Y615 HydrophobicContact CD1-CG 3.63Å; L516-Y615 HydrophobicContact CG-CD2 3.49Å; L516-Y615 VanDerWaalsContact CG-CD2 3.49Å; L516-Y615 HydrophobicContact CG-CE2 4.14Å; L516-Y615 HydrophobicContact CG-CG 4.06Å | ||
| 517 | N | 97.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 55.6 | 18.4 | 178.1 | -82.8 | -73.4 | 0 | 0 | 0 | 115.9 | H466 L467 Q468 A469 R477 D515 | H466-N517 PolarHBondContact CD2-ND2 3.25Å; H466-N517 VanDerWaalsContact CD2-ND2 3.34Å; H466-N517 PolarHBondContact NE2-ND2 3.09Å; H466-N517 VanDerWaalsContact NE2-ND2 3.2Å; L467-N517 PolarHBondContact O-ND2 3.12Å; L467-N517 VanDerWaalsContact O-ND2 3.16Å; Q468-N517 VanDerWaalsContact O-CB 3.26Å; Q468-N517 WeakPolarHBondContact O-CB 3.32Å; A469-N517 VanDerWaalsContact CA-CG 3.49Å; R477-N517 PolarHBondContact NH1-O 3.39Å; D515-N517 PolarHBondContact OD1-N 2.87Å; D515-N517 PolarHBondContact OD1-ND2 2.99Å |
| 518 | F | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -136.1 | 142.8 | 172.2 | 73.4 | -100 | 0 | 0 | 0 | 109.9 | L467 L481 L516 D525 E528 F534 Y615 | L467-F518 HydrophobicContact CD1-CE1 4.26Å; L481-F518 HydrophobicContact CD1-CE1 3.82Å; L481-F518 HydrophobicContact CD1-CZ 4.18Å; L481-F518 HydrophobicContact CD2-CE1 4.28Å; L516-F518 HydrophobicContact CB-CD1 3.74Å; L516-F518 HydrophobicContact CB-CE1 3.5Å; L516-F518 HydrophobicContact CB-CZ 4.21Å; L516-F518 HydrophobicContact CD1-CE1 3.8Å; L516-F518 HydrophobicContact CD1-CZ 3.84Å; L516-F518 HydrophobicContact CG-CE1 4.27Å; L516-F518 WeakPolarHBondContact O-CD1 3.38Å; L516-F518 PolarHBondContact O-N 3.48Å; F518-D525 WeakPolarHBondContact CA-OD2 3.19Å; F518-D525 HydrophobicContact CB-CB 3.88Å; F518-E528 HydrophobicContact CB-CB 4.09Å; F518-E528 HydrophobicContact CB-CG 4.1Å; F518-E528 HydrophobicContact CD1-CB 3.61Å; F518-E528 HydrophobicContact CD1-CG 3.87Å; F518-E528 HydrophobicContact CD2-CB 3.45Å; F518-E528 VanDerWaalsContact CD2-CB 3.45Å; F518-E528 HydrophobicContact CD2-CG 4.36Å; F518-E528 HydrophobicContact CE1-CB 3.81Å; F518-E528 HydrophobicContact CE1-CG 4.38Å; F518-E528 HydrophobicContact CE2-CB 3.66Å; F518-E528 HydrophobicContact CG-CB 3.44Å; F518-E528 VanDerWaalsContact CG-CB 3.44Å; F518-E528 HydrophobicContact CG-CG 3.87Å; F518-E528 HydrophobicContact CZ-CB 3.84Å; F518-F534 AromaticContact CE2-CE2 3.99Å; F518-F534 HydrophobicContact CE2-CE2 3.99Å; F518-F534 AromaticContact CE2-CZ 3.93Å; F518-F534 HydrophobicContact CE2-CZ 3.93Å; F518-F534 AromaticContact CZ-CE2 3.78Å; F518-F534 HydrophobicContact CZ-CE2 3.78Å; F518-F534 AromaticContact CZ-CZ 3.7Å; F518-F534 HydrophobicContact CZ-CZ 3.7Å; F518-Y615 HydrophobicContact CE2-CE2 4.36Å; F518-Y615 AromaticContact CE2-CZ 3.94Å; F518-Y615 WeakPolarHBondContact CE2-OH 3.41Å; F518-Y615 VanDerWaalsContact O-CE2 3.27Å; F518-Y615 WeakPolarHBondContact O-CE2 3.47Å; F518-Y615 PolarHBondContact O-OH 2.73Å | ||
| 519 | D | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -94.6 | 167.9 | -179.8 | 67.3 | 48.7 | 0 | 0 | 0 | 112.6 | C521 S522 D525 Q529 R611 R612 I613 | D519-C521 PolarHBondContact OD1-N 2.96Å; D519-S522 VanDerWaalsContact CG-OG 3.31Å; D519-S522 WeakPolarHBondContact OD1-CA 3.48Å; D519-S522 WeakPolarHBondContact OD1-CB 3.4Å; D519-S522 PolarHBondContact OD1-N 3.46Å; D519-S522 PolarHBondContact OD1-OG 3.39Å; D519-S522 VanDerWaalsContact OD2-CB 3.29Å; D519-S522 WeakPolarHBondContact OD2-CB 3.48Å; D519-S522 PolarHBondContact OD2-OG 2.82Å; D519-D525 VanDerWaalsContact CG-OD2 3.32Å; D519-D525 PolarHBondContact N-OD2 3.12Å; D519-D525 WeakPolarHBondContact O-CB 3.44Å; D519-Q529 VanDerWaalsContact O-CG 3.3Å; D519-Q529 WeakPolarHBondContact O-CG 3.16Å; D519-Q529 PolarHBondContact O-NE2 3.45Å; D519-R611 HydrophobicContact CB-CB 4.03Å; D519-R611 HydrophobicContact CB-CG 4.3Å; D519-R611 WeakPolarHBondContact OD2-CG 3.38Å; D519-R611 IonicContact OD2-CZ 3.85Å; D519-R611 IonicContact OD2-NE 3.36Å; D519-R611 PolarHBondContact OD2-NE 3.38Å; D519-R611 IonicContact OD2-NH2 3.27Å; D519-R611 PolarHBondContact OD2-NH2 3.02Å; D519-R612 WeakPolarHBondContact CA-O 3.34Å; D519-I613 HydrophobicContact CB-CG2 4.19Å | ||
| 520 | N | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -106.1 | 32.8 | 173.6 | -166.1 | 51.3 | 0 | 0 | 0 | 112.5 | R542 G544 G546 E547 D548 | N520-R542 PolarHBondContact OD1-NH1 2.87Å; N520-G544 PolarHBondContact ND2-O 3.34Å; N520-G544 VanDerWaalsContact ND2-O 3.11Å; N520-G544 PolarHBondContact OD1-O 2.98Å; N520-G546 CarbonylContact O-C 3.6Å; N520-G546 WeakPolarHBondContact O-CA 3.34Å; N520-G546 PolarHBondContact OD1-N 3.07Å; N520-E547 PolarHBondContact ND2-O 2.64Å; N520-E547 PolarHBondContact O-N 2.93Å; N520-D548 WeakPolarHBondContact CB-OD1 3.42Å; N520-D548 PolarHBondContact ND2-OD1 2.95Å |
| 521 | C | 92.4 | Very high | 96.2 | Very high | 49 Ų | 49 | 28.5 Ų | 28.5 | 33% | 0.331 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -140.9 | -21.7 | -178 | 68 | 0 | 0 | 0 | 0 | 115.1 | D519 | D519-C521 PolarHBondContact OD1-N 2.96Š|
| 522 | S | 91.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | trans | -88.7 | 152.3 | -179.1 | 78 | 0 | 0 | 0 | 0 | 111.6 | D519 E524 D525 Q529 | D519-S522 VanDerWaalsContact CG-OG 3.31Å; D519-S522 WeakPolarHBondContact OD1-CA 3.48Å; D519-S522 WeakPolarHBondContact OD1-CB 3.4Å; D519-S522 PolarHBondContact OD1-N 3.46Å; D519-S522 PolarHBondContact OD1-OG 3.39Å; D519-S522 VanDerWaalsContact OD2-CB 3.29Å; D519-S522 WeakPolarHBondContact OD2-CB 3.48Å; D519-S522 PolarHBondContact OD2-OG 2.82Å; S522-E524 PolarHBondContact O-N 3.37Å; S522-D525 PolarHBondContact OG-N 2.98Å; S522-D525 PolarHBondContact OG-OD2 3.45Å; S522-Q529 PolarHBondContact O-NE2 2.92Å | ||
| 523 | S | 90.3 | Very high | 96.1 | Very high | 104 Ų | 104 | 30.8 Ų | 30.8 | 73% | 0.727 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -74.5 | -15.3 | 171.9 | 57 | 0 | 0 | 0 | 0 | 113.6 | ||
| 524 | E | 89.8 | Confident | 96 | Very high | 61 Ų | 61 | 31.7 Ų | 31.7 | 29% | 0.285 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -34.8 | -177.6 | -60 | -169.9 | 153.9 | 0 | 0 | 111.1 | T474 S522 K526 K593 | T474-E524 PolarHBondContact OG1-O 2.84Å; S522-E524 PolarHBondContact O-N 3.37Å; E524-K526 VanDerWaalsContact C-N 3.31Å; E524-K526 PolarHBondContact O-N 3.16Å; E524-K593 WeakPolarHBondContact OE1-CE 3.46Å; E524-K593 IonicContact OE1-NZ 2.83Å |
| 525 | D | 93.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 18.8 | -177.5 | -67 | -30.5 | 0 | 0 | 0 | 112.9 | R477 F518 D519 S522 L527 E528 Q529 R611 | R477-D525 IonicContact CZ-OD1 2.6Å; R477-D525 IonicContact NH2-OD1 3.28Å; R477-D525 PolarHBondContact NH2-OD1 3.2Å; F518-D525 WeakPolarHBondContact CA-OD2 3.19Å; F518-D525 HydrophobicContact CB-CB 3.88Å; D519-D525 VanDerWaalsContact CG-OD2 3.32Å; D519-D525 PolarHBondContact N-OD2 3.12Å; D519-D525 WeakPolarHBondContact O-CB 3.44Å; S522-D525 PolarHBondContact OG-N 2.98Å; S522-D525 PolarHBondContact OG-OD2 3.45Å; D525-L527 VanDerWaalsContact C-N 3.32Å; D525-L527 PolarHBondContact O-N 2.98Å; D525-E528 VanDerWaalsContact CA-OE2 3.23Å; D525-E528 WeakPolarHBondContact CA-OE2 3.49Å; D525-E528 PolarHBondContact O-N 3.27Å; D525-E528 VanDerWaalsContact O-OE2 3.05Å; D525-Q529 WeakPolarHBondContact O-CB 3.5Å; D525-Q529 VanDerWaalsContact O-CD 3.29Å; D525-Q529 WeakPolarHBondContact O-CG 3.44Å; D525-Q529 PolarHBondContact O-N 2.91Å; D525-R611 IonicContact OD2-NH2 2.79Å; D525-R611 PolarHBondContact OD2-NH2 3.26Å |
| 526 | K | 94.6 | Very high | 95.8 | Very high | 113 Ų | 113 | 40.6 Ų | 40.6 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -35.3 | -172 | -178.9 | 179.6 | 174.7 | -175 | 0 | 113.7 | E524 Q530 | E524-K526 VanDerWaalsContact C-N 3.31Å; E524-K526 PolarHBondContact O-N 3.16Å; K526-Q530 VanDerWaalsContact O-CG 3.31Å; K526-Q530 WeakPolarHBondContact O-CG 3.37Å; K526-Q530 PolarHBondContact O-N 2.77Å |
| 527 | L | 96.7 | Very high | 95.8 | Very high | 100 Ų | 100 | 41.5 Ų | 41.5 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.3 | -40.2 | -176.4 | -59.5 | -177.9 | 0 | 0 | 0 | 110.7 | T474 D525 Q530 H531 | T474-L527 HydrophobicContact CG2-CB 3.55Å; T474-L527 HydrophobicContact CG2-CD1 3.7Å; T474-L527 HydrophobicContact CG2-CG 3.9Å; D525-L527 VanDerWaalsContact C-N 3.32Å; D525-L527 PolarHBondContact O-N 2.98Å; L527-Q530 PolarHBondContact O-N 2.72Å; L527-H531 PolarHBondContact O-N 3.49Å |
| 528 | E | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 173.7 | -55.4 | 93.6 | 140.9 | 0 | 0 | 110.8 | T474 R477 L481 F518 D525 Q530 H531 F534 | T474-E528 WeakPolarHBondContact CA-OE1 3.49Å; T474-E528 WeakPolarHBondContact CB-OE1 3.41Å; T474-E528 VanDerWaalsContact CG2-CD 3.41Å; T474-E528 HydrophobicContact CG2-CG 4.4Å; T474-E528 WeakPolarHBondContact CG2-OE2 3.38Å; T474-E528 PolarHBondContact OG1-OE1 2.89Å; T474-E528 PolarHBondContact OG1-OE2 3.5Å; R477-E528 HydrophobicContact CB-CG 3.88Å; R477-E528 IonicContact CZ-OE1 2.82Å; R477-E528 IonicContact NE-OE1 2.86Å; R477-E528 PolarHBondContact NE-OE1 2.85Å; R477-E528 IonicContact NH2-OE1 2.8Å; R477-E528 PolarHBondContact NH2-OE1 3.09Å; L481-E528 HydrophobicContact CD1-CB 4.25Å; F518-E528 HydrophobicContact CB-CB 4.09Å; F518-E528 HydrophobicContact CB-CG 4.1Å; F518-E528 HydrophobicContact CD1-CB 3.61Å; F518-E528 HydrophobicContact CD1-CG 3.87Å; F518-E528 HydrophobicContact CD2-CB 3.45Å; F518-E528 VanDerWaalsContact CD2-CB 3.45Å; F518-E528 HydrophobicContact CD2-CG 4.36Å; F518-E528 HydrophobicContact CE1-CB 3.81Å; F518-E528 HydrophobicContact CE1-CG 4.38Å; F518-E528 HydrophobicContact CE2-CB 3.66Å; F518-E528 HydrophobicContact CG-CB 3.44Å; F518-E528 VanDerWaalsContact CG-CB 3.44Å; F518-E528 HydrophobicContact CG-CG 3.87Å; F518-E528 HydrophobicContact CZ-CB 3.84Å; D525-E528 VanDerWaalsContact CA-OE2 3.23Å; D525-E528 WeakPolarHBondContact CA-OE2 3.49Å; D525-E528 PolarHBondContact O-N 3.27Å; D525-E528 VanDerWaalsContact O-OE2 3.05Å; E528-Q530 PolarHBondContact O-N 3.31Å; E528-H531 WeakPolarHBondContact O-CB 3.19Å; E528-H531 PolarHBondContact O-N 2.94Å; E528-F534 WeakPolarHBondContact O-CE2 3.33Å |
| 529 | Q | 97.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.5 | -33.6 | 175.2 | -70.6 | 161.4 | 13.7 | 0 | 0 | 112.3 | D519 S522 D525 R542 P545 G546 | D519-Q529 VanDerWaalsContact O-CG 3.3Å; D519-Q529 WeakPolarHBondContact O-CG 3.16Å; D519-Q529 PolarHBondContact O-NE2 3.45Å; S522-Q529 PolarHBondContact O-NE2 2.92Å; D525-Q529 WeakPolarHBondContact O-CB 3.5Å; D525-Q529 VanDerWaalsContact O-CD 3.29Å; D525-Q529 WeakPolarHBondContact O-CG 3.44Å; D525-Q529 PolarHBondContact O-N 2.91Å; Q529-R542 VanDerWaalsContact O-CZ 3.22Å; Q529-R542 PolarHBondContact O-NH1 3.05Å; Q529-R542 PolarHBondContact O-NH2 3.33Å; Q529-P545 HydrophobicContact CB-CB 4.08Å; Q529-G546 VanDerWaalsContact OE1-CA 3.24Å |
| 530 | Q | 97.8 | Very high | 96 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4.2 | -178.6 | -68 | -178 | -24.2 | 0 | 0 | 113.8 | K526 L527 E528 P545 | K526-Q530 VanDerWaalsContact O-CG 3.31Å; K526-Q530 WeakPolarHBondContact O-CG 3.37Å; K526-Q530 PolarHBondContact O-N 2.77Å; L527-Q530 PolarHBondContact O-N 2.72Å; E528-Q530 PolarHBondContact O-N 3.31Å; Q530-P545 HydrophobicContact CG-CB 3.78Å; Q530-P545 HydrophobicContact CG-CG 4.32Å |
| 531 | H | 98.4 | Very high | 96 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | trans | -60.5 | 144.6 | -178.6 | -161.3 | -89.1 | 0 | 0 | 0 | 112 | C478 L481 D482 Q485 L527 E528 L533 F534 | C478-H531 PolarHBondContact O-NE2 2.96Å; L481-H531 VanDerWaalsContact C-CE1 3.43Å; L481-H531 WeakPolarHBondContact CB-CE1 3.39Å; L481-H531 VanDerWaalsContact CB-NE2 3.33Å; L481-H531 WeakPolarHBondContact CB-NE2 3.22Å; L481-H531 HydrophobicContact CD1-CB 3.97Å; D482-H531 PolarHBondContact N-NE2 3.32Å; D482-H531 IonicContact OD1-CE1 2.88Å; D482-H531 IonicContact OD1-NE2 2.68Å; D482-H531 PolarHBondContact OD1-NE2 2.76Å; D482-H531 VanDerWaalsContact OD1-NE2 3.07Å; Q485-H531 PolarHBondContact NE2-CE1 2.88Å; Q485-H531 PolarHBondContact NE2-ND1 2.64Å; Q485-H531 VanDerWaalsContact NE2-ND1 3.18Å; L527-H531 PolarHBondContact O-N 3.49Å; E528-H531 WeakPolarHBondContact O-CB 3.19Å; E528-H531 PolarHBondContact O-N 2.94Å; H531-L533 WeakPolarHBondContact ND1-CB 3.4Å; H531-L533 PolarHBondContact ND1-N 2.86Å; H531-L533 VanDerWaalsContact ND1-N 3.19Å; H531-L533 PolarHBondContact O-N 3.08Å; H531-F534 HydrophobicContact CB-CD2 4.49Å; H531-F534 PolarHBondContact O-N 3.03Å | ||
| 532 | S | 97.6 | Very high | 96.3 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -12.5 | 178.6 | 52 | 0 | 0 | 0 | 0 | 113.5 | Q485 F534 T535 H536 | Q485-S532 PolarHBondContact NE2-OG 3.12Å; Q485-S532 PolarHBondContact OE1-OG 3.46Å; Q485-S532 VanDerWaalsContact OE1-OG 3.07Å; S532-F534 PolarHBondContact O-N 2.75Å; S532-T535 VanDerWaalsContact O-CB 3.25Å; S532-T535 WeakPolarHBondContact O-CB 3.31Å; S532-T535 PolarHBondContact O-N 3.47Å; S532-H536 PolarHBondContact O-CD2 2.8Å |
| 533 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | -177.2 | -176.5 | 70.5 | 0 | 0 | 0 | 109.2 | L481 L484 Q485 L488 I512 H531 T535 H536 Y537 L617 | L481-L533 HydrophobicContact CD2-CD2 3.76Å; L484-L533 HydrophobicContact CD2-CD2 4.17Å; Q485-L533 HydrophobicContact CG-CB 4.48Å; Q485-L533 HydrophobicContact CG-CD1 3.66Å; Q485-L533 VanDerWaalsContact NE2-CB 3.33Å; L488-L533 HydrophobicContact CD1-CD1 4.33Å; I512-L533 HydrophobicContact CD1-CD1 3.86Å; H531-L533 WeakPolarHBondContact ND1-CB 3.4Å; H531-L533 PolarHBondContact ND1-N 2.86Å; H531-L533 VanDerWaalsContact ND1-N 3.19Å; H531-L533 PolarHBondContact O-N 3.08Å; L533-T535 PolarHBondContact O-N 2.98Å; L533-H536 PolarHBondContact O-N 3.26Å; L533-H536 VanDerWaalsContact O-N 3.16Å; L533-Y537 HydrophobicContact CD1-CD2 3.91Å; L533-Y537 HydrophobicContact CD1-CE2 4.48Å; L533-Y537 PolarHBondContact O-N 2.91Å; L533-L617 HydrophobicContact CD2-CD1 4.13Å |
| 534 | F | 97.9 | Very high | 96.8 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 10% | 0.101 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73 | -4.9 | 178.3 | -61.4 | -71.2 | 0 | 0 | 0 | 114 | F518 E528 H531 S532 Y537 D539 Y615 L617 | F518-F534 AromaticContact CE2-CE2 3.99Å; F518-F534 HydrophobicContact CE2-CE2 3.99Å; F518-F534 AromaticContact CE2-CZ 3.93Å; F518-F534 HydrophobicContact CE2-CZ 3.93Å; F518-F534 AromaticContact CZ-CE2 3.78Å; F518-F534 HydrophobicContact CZ-CE2 3.78Å; F518-F534 AromaticContact CZ-CZ 3.7Å; F518-F534 HydrophobicContact CZ-CZ 3.7Å; E528-F534 WeakPolarHBondContact O-CE2 3.33Å; H531-F534 HydrophobicContact CB-CD2 4.49Å; H531-F534 PolarHBondContact O-N 3.03Å; S532-F534 PolarHBondContact O-N 2.75Å; F534-Y537 WeakPolarHBondContact CA-O 3.3Å; F534-D539 HydrophobicContact CD1-CB 4.35Å; F534-D539 HydrophobicContact CE1-CB 4.42Å; F534-Y615 HydrophobicContact CE1-CD1 4.15Å; F534-Y615 HydrophobicContact CE1-CE1 4.12Å; F534-Y615 HydrophobicContact CZ-CD1 4.37Å; F534-Y615 HydrophobicContact CZ-CE1 4.05Å; F534-L617 HydrophobicContact CD1-CD2 4.49Å; F534-L617 HydrophobicContact CE1-CD1 4.19Å; F534-L617 HydrophobicContact CE1-CD2 4.08Å |
| 535 | T | 96 | Very high | 97.2 | Very high | 106 Ų | 106 | 45.9 Ų | 45.9 | 65% | 0.65 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -83.5 | -37.1 | 169.2 | -54.2 | 0 | 0 | 0 | 0 | 111 | S532 L533 | S532-T535 VanDerWaalsContact O-CB 3.25Å; S532-T535 WeakPolarHBondContact O-CB 3.31Å; S532-T535 PolarHBondContact O-N 3.47Å; L533-T535 PolarHBondContact O-N 2.98Å |
| 536 | H | 96.1 | Very high | 97.2 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -91.3 | -34 | -179.3 | -62.5 | -65.4 | 0 | 0 | 0 | 113.2 | S532 L533 T619 E621 | S532-H536 PolarHBondContact O-CD2 2.8Å; L533-H536 PolarHBondContact O-N 3.26Å; L533-H536 VanDerWaalsContact O-N 3.16Å; H536-T619 WeakPolarHBondContact O-CB 3.25Å; H536-T619 PolarHBondContact O-OG1 3.33Å; H536-E621 IonicContact CG-OE2 3.94Å; H536-E621 IonicContact ND1-OE1 3.99Å; H536-E621 IonicContact ND1-OE2 3.07Å; H536-E621 PolarHBondContact ND1-OE2 3.16Å |
| 537 | Y | 98.2 | Very high | 97.3 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -117.1 | 118.1 | -179.5 | -72.5 | -94.7 | 0 | 0 | 0 | 110 | L488 D510 I512 L533 F534 Y618 T619 | L488-Y537 HydrophobicContact CD1-CE2 3.93Å; D510-Y537 VanDerWaalsContact CG-OH 3.25Å; D510-Y537 WeakPolarHBondContact OD1-CE1 3.29Å; D510-Y537 PolarHBondContact OD1-OH 2.78Å; D510-Y537 PolarHBondContact OD2-OH 3.05Å; D510-Y537 VanDerWaalsContact OD2-OH 3.14Å; I512-Y537 HydrophobicContact CD1-CD1 3.47Å; I512-Y537 VanDerWaalsContact CD1-CD1 3.47Å; I512-Y537 HydrophobicContact CD1-CD2 3.52Å; I512-Y537 HydrophobicContact CD1-CE1 3.51Å; I512-Y537 HydrophobicContact CD1-CE2 3.57Å; I512-Y537 HydrophobicContact CD1-CG 3.47Å; I512-Y537 VanDerWaalsContact CD1-CG 3.47Å; I512-Y537 HydrophobicContact CG1-CD1 3.76Å; I512-Y537 HydrophobicContact CG1-CE1 3.59Å; I512-Y537 HydrophobicContact CG1-CE2 4.48Å; I512-Y537 HydrophobicContact CG1-CG 4.27Å; L533-Y537 HydrophobicContact CD1-CD2 3.91Å; L533-Y537 HydrophobicContact CD1-CE2 4.48Å; L533-Y537 PolarHBondContact O-N 2.91Å; F534-Y537 WeakPolarHBondContact CA-O 3.3Å; Y537-Y618 CarbonylContact C-O 3.49Å; Y537-Y618 WeakPolarHBondContact CA-O 3.3Å; Y537-T619 HydrophobicContact CD1-CG2 4.13Å; Y537-T619 HydrophobicContact CE1-CG2 3.69Å |
| 538 | K | 97.9 | Very high | 97.3 | Very high | 89 Ų | 89 | 44 Ų | 44 | 39% | 0.387 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -78 | 136.2 | -179.1 | -60.1 | -175.3 | -174.5 | -179.8 | 0 | 110.4 | L617 Y618 E620 | K538-L617 WeakPolarHBondContact O-CA 3.4Å; K538-Y618 HydrophobicContact CB-CD1 4.25Å; K538-Y618 HydrophobicContact CB-CE1 3.79Å; K538-Y618 HydrophobicContact CD-CE2 4.39Å; K538-Y618 PolarHBondContact N-O 3.25Å; K538-Y618 PolarHBondContact O-N 3.4Å; K538-Y618 VanDerWaalsContact O-N 3.12Å; K538-E620 IonicContact NZ-OE1 3.94Å; K538-E620 PolarHBondContact NZ-OE1 2.9Å; K538-E620 IonicContact NZ-OE2 3.81Å; K538-E620 PolarHBondContact NZ-OE2 3.45Å |
| 539 | D | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | trans | -100.2 | 114.2 | 169.8 | -179.9 | -12 | 0 | 0 | 0 | 109.1 | F534 C541 R542 R612 Y615 L617 | F534-D539 HydrophobicContact CD1-CB 4.35Å; F534-D539 HydrophobicContact CE1-CB 4.42Å; D539-C541 PolarHBondContact O-N 2.92Å; D539-C541 VanDerWaalsContact O-N 3.15Å; D539-C541 WeakPolarHBondContact OD1-CB 3.23Å; D539-C541 PolarHBondContact OD1-N 3.13Å; D539-R542 HydrophobicContact CB-CB 3.65Å; D539-R542 PolarHBondContact O-N 3.3Å; D539-R542 VanDerWaalsContact O-N 3.13Å; D539-R612 IonicContact OD1-NH1 2.72Å; D539-R612 PolarHBondContact OD1-NH1 3.04Å; D539-R612 IonicContact OD1-NH2 3.78Å; D539-R612 IonicContact OD2-CZ 3.96Å; D539-R612 VanDerWaalsContact OD2-CZ 3.27Å; D539-R612 IonicContact OD2-NH1 3.68Å; D539-R612 PolarHBondContact OD2-NH1 3.35Å; D539-R612 IonicContact OD2-NH2 3.74Å; D539-R612 PolarHBondContact OD2-NH2 2.9Å; D539-Y615 WeakPolarHBondContact OD2-CD1 3.25Å; D539-Y615 WeakPolarHBondContact OD2-CE1 3.46Å; D539-L617 HydrophobicContact CB-CD2 3.52Å | ||
| 540 | P | 97.9 | Very high | 97 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.9 | 179.8 | -23.8 | 33.3 | 0 | 0 | 0 | 114.4 | F350 K549 W551 M616 Y618 V631 F634 M651 | F350-P540 HydrophobicContact CE2-CB 4.43Å; F350-P540 HydrophobicContact CZ-CB 3.84Å; P540-K549 VanDerWaalsContact O-CD 3.3Å; P540-K549 WeakPolarHBondContact O-CD 3.29Å; P540-K549 VanDerWaalsContact O-CE 3.32Å; P540-K549 WeakPolarHBondContact O-CE 3.48Å; P540-K549 PolarHBondContact O-NZ 3.32Å; P540-K549 VanDerWaalsContact O-NZ 3.1Å; P540-W551 WeakPolarHBondContact O-CZ2 3.21Å; P540-M616 VanDerWaalsContact CD-O 3.27Å; P540-M616 WeakPolarHBondContact CD-O 3.39Å; P540-Y618 HydrophobicContact CG-CD1 4.2Å; P540-Y618 HydrophobicContact CG-CE1 4.02Å; P540-V631 HydrophobicContact CG-CG2 4.12Å; P540-F634 HydrophobicContact CB-CD2 3.74Å; P540-F634 HydrophobicContact CB-CE2 4.01Å; P540-F634 HydrophobicContact CB-CG 4.48Å; P540-F634 HydrophobicContact CG-CD2 3.79Å; P540-F634 HydrophobicContact CG-CE2 3.84Å; P540-M651 HydrophobicContact CG-SD 3.76Å |
| 541 | C | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -7.4 | -178.1 | -66.7 | 0 | 0 | 0 | 0 | 113.7 | D539 K549 W551 A552 F634 | D539-C541 PolarHBondContact O-N 2.92Å; D539-C541 VanDerWaalsContact O-N 3.15Å; D539-C541 WeakPolarHBondContact OD1-CB 3.23Å; D539-C541 PolarHBondContact OD1-N 3.13Å; C541-K549 WeakPolarHBondContact O-CB 3.44Å; C541-K549 PolarHBondContact O-N 3.08Å; C541-W551 HydrophobicContact CB-CH2 4.3Å; C541-W551 WeakPolarHBondContact SG-CH2 3.34Å; C541-A552 HydrophobicContact CB-CB 3.77Å; C541-F634 WeakPolarHBondContact SG-CE1 3.3Å; C541-F634 WeakPolarHBondContact SG-CZ 3.43Å |
| 542 | R | 97.1 | Very high | 96.9 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.5 | -167.8 | 178.4 | 171.6 | 166.8 | 137.8 | -5.1 | 112.1 | N520 Q529 D539 G544 | N520-R542 PolarHBondContact OD1-NH1 2.87Å; Q529-R542 VanDerWaalsContact O-CZ 3.22Å; Q529-R542 PolarHBondContact O-NH1 3.05Å; Q529-R542 PolarHBondContact O-NH2 3.33Å; D539-R542 HydrophobicContact CB-CB 3.65Å; D539-R542 PolarHBondContact O-N 3.3Å; D539-R542 VanDerWaalsContact O-N 3.13Å; R542-G544 WeakPolarHBondContact CG-O 3.48Å |
| 543 | I | 96.4 | Very high | 96.9 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -46.4 | 163.3 | -62 | 176.5 | 0 | 0 | 0 | 109.1 | E547 K549 | I543-E547 HydrophobicContact CB-CB 4.45Å; I543-E547 HydrophobicContact CB-CG 4.15Å; I543-E547 HydrophobicContact CD1-CG 4.26Å; I543-E547 PolarHBondContact N-O 2.95Å; I543-K549 HydrophobicContact CD1-CG 4.33Å; I543-K549 HydrophobicContact CG1-CB 4.41Å; I543-K549 HydrophobicContact CG1-CG 3.62Å |
| 544 | G | 96.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | -179.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N520 R542 G546 E547 | N520-G544 PolarHBondContact ND2-O 3.34Å; N520-G544 VanDerWaalsContact ND2-O 3.11Å; N520-G544 PolarHBondContact OD1-O 2.98Å; R542-G544 WeakPolarHBondContact CG-O 3.48Å; G544-G546 PolarHBondContact O-N 3.21Å; G544-E547 PolarHBondContact N-O 2.73Å; G544-E547 VanDerWaalsContact N-O 3.12Å; G544-E547 PolarHBondContact O-N 3.33Å; G544-E547 VanDerWaalsContact O-O 3.05Å |
| 545 | P | 97.4 | Very high | 96.9 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 119.8 | 176.8 | 25.8 | -32.6 | 0 | 0 | 0 | 110.6 | Q529 Q530 E547 | Q529-P545 HydrophobicContact CB-CB 4.08Å; Q530-P545 HydrophobicContact CG-CB 3.78Å; Q530-P545 HydrophobicContact CG-CG 4.32Å; P545-E547 VanDerWaalsContact C-N 3.28Å |
| 546 | G | 95.5 | Very high | 97 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 8.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N520 Q529 G544 | N520-G546 CarbonylContact O-C 3.6Å; N520-G546 WeakPolarHBondContact O-CA 3.34Å; N520-G546 PolarHBondContact OD1-N 3.07Å; Q529-G546 VanDerWaalsContact OE1-CA 3.24Å; G544-G546 PolarHBondContact O-N 3.21Å |
| 547 | E | 95.8 | Very high | 97 | Very high | 113 Ų | 113 | 35.9 Ų | 35.9 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 107.6 | -179.3 | -166.7 | 173 | -165.5 | 0 | 0 | 111.8 | N520 I543 G544 P545 | N520-E547 PolarHBondContact ND2-O 2.64Å; N520-E547 PolarHBondContact O-N 2.93Å; I543-E547 HydrophobicContact CB-CB 4.45Å; I543-E547 HydrophobicContact CB-CG 4.15Å; I543-E547 HydrophobicContact CD1-CG 4.26Å; I543-E547 PolarHBondContact N-O 2.95Å; G544-E547 PolarHBondContact N-O 2.73Å; G544-E547 VanDerWaalsContact N-O 3.12Å; G544-E547 PolarHBondContact O-N 3.33Å; G544-E547 VanDerWaalsContact O-O 3.05Å; P545-E547 VanDerWaalsContact C-N 3.28Å |
| 548 | D | 96.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 17% | 0.171 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 152.8 | 171.7 | -83.8 | -11.1 | 0 | 0 | 0 | 111.8 | N520 A552 R612 | N520-D548 WeakPolarHBondContact CB-OD1 3.42Å; N520-D548 PolarHBondContact ND2-OD1 2.95Å; D548-A552 HydrophobicContact CB-CB 4.12Å; D548-R612 IonicContact OD1-CZ 2.86Å; D548-R612 IonicContact OD1-NE 2.62Å; D548-R612 IonicContact OD1-NH2 3.42Å; D548-R612 PolarHBondContact OD1-NH2 2.79Å; D548-R612 IonicContact OD2-CZ 2.75Å; D548-R612 IonicContact OD2-NE 3.45Å; D548-R612 PolarHBondContact OD2-NE 2.95Å; D548-R612 IonicContact OD2-NH2 2.72Å |
| 549 | K | 96.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | trans | -61.1 | 150.4 | 172 | -71.9 | -179 | 174.3 | -175.8 | 0 | 110.7 | E348 P540 C541 I543 W551 A552 | E348-K549 WeakPolarHBondContact OE1-CD 3.33Å; E348-K549 WeakPolarHBondContact OE1-CE 3.34Å; E348-K549 IonicContact OE1-NZ 2.63Å; E348-K549 PolarHBondContact OE1-NZ 3.14Å; E348-K549 IonicContact OE2-NZ 3.76Å; E348-K549 PolarHBondContact OE2-NZ 2.68Å; P540-K549 VanDerWaalsContact O-CD 3.3Å; P540-K549 WeakPolarHBondContact O-CD 3.29Å; P540-K549 VanDerWaalsContact O-CE 3.32Å; P540-K549 WeakPolarHBondContact O-CE 3.48Å; P540-K549 PolarHBondContact O-NZ 3.32Å; P540-K549 VanDerWaalsContact O-NZ 3.1Å; C541-K549 WeakPolarHBondContact O-CB 3.44Å; C541-K549 PolarHBondContact O-N 3.08Å; I543-K549 HydrophobicContact CD1-CG 4.33Å; I543-K549 HydrophobicContact CG1-CB 4.41Å; I543-K549 HydrophobicContact CG1-CG 3.62Å; K549-W551 HydrophobicContact CB-CG 4.5Å; K549-W551 HydrophobicContact CD-CZ2 3.84Å; K549-W551 PolarHBondContact O-N 3.06Å; K549-A552 WeakPolarHBondContact O-CB 3.2Å; K549-A552 PolarHBondContact O-N 3.25Å | ||
| 550 | P | 94.5 | Very high | 96 | Very high | 109 Ų | 109 | 41.5 Ų | 41.5 | 71% | 0.708 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.6 | -174.1 | -26.3 | 34.8 | 0 | 0 | 0 | 115.2 | N609 | P550-N609 PolarHBondContact O-ND2 3.48Š|
| 551 | W | 95.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 15% | 0.148 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -16.3 | 179.5 | 60.5 | -101.9 | 0 | 0 | 0 | 113.8 | E348 F350 H352 P540 C541 K549 F634 F636 | E348-W551 PolarHBondContact OE1-NE1 3.31Å; F350-W551 HydrophobicContact CE2-CH2 4.12Å; F350-W551 AromaticContact CE2-CZ2 3.91Å; F350-W551 HydrophobicContact CE2-CZ2 3.91Å; F350-W551 HydrophobicContact CZ-CH2 4.32Å; F350-W551 AromaticContact CZ-CZ2 3.82Å; F350-W551 HydrophobicContact CZ-CZ2 3.82Å; H352-W551 HydrophobicContact CB-CD2 3.99Å; H352-W551 HydrophobicContact CB-CE3 3.81Å; H352-W551 HydrophobicContact CB-CH2 4.23Å; H352-W551 HydrophobicContact CB-CZ2 4.38Å; H352-W551 HydrophobicContact CB-CZ3 3.94Å; H352-W551 AromaticContact CD2-CD1 3.81Å; H352-W551 AromaticContact CD2-CD2 3.99Å; H352-W551 AromaticContact CD2-CE2 3.97Å; H352-W551 AromaticContact CD2-CG 3.93Å; H352-W551 AromaticContact CD2-NE1 3.82Å; H352-W551 VanDerWaalsContact CE1-CB 3.49Å; H352-W551 WeakPolarHBondContact CE1-CB 3.16Å; H352-W551 AromaticContact CE1-CD1 3.84Å; H352-W551 AromaticContact CE1-CG 3.58Å; H352-W551 AromaticContact CG-CD2 3.64Å; H352-W551 AromaticContact CG-CE2 3.98Å; H352-W551 AromaticContact CG-CE3 3.92Å; H352-W551 AromaticContact CG-CG 3.82Å; H352-W551 AromaticContact ND1-CD2 3.81Å; H352-W551 AromaticContact ND1-CG 3.6Å; H352-W551 AromaticContact NE2-CD1 3.61Å; H352-W551 AromaticContact NE2-CG 3.79Å; P540-W551 WeakPolarHBondContact O-CZ2 3.21Å; C541-W551 HydrophobicContact CB-CH2 4.3Å; C541-W551 WeakPolarHBondContact SG-CH2 3.34Å; K549-W551 HydrophobicContact CB-CG 4.5Å; K549-W551 HydrophobicContact CD-CZ2 3.84Å; K549-W551 PolarHBondContact O-N 3.06Å; W551-F634 HydrophobicContact CH2-CB 4.26Å; W551-F634 AromaticContact CH2-CD1 3.93Å; W551-F634 HydrophobicContact CH2-CD1 3.93Å; W551-F634 HydrophobicContact CH2-CG 4.12Å; W551-F634 AromaticContact CZ3-CD1 3.8Å; W551-F634 HydrophobicContact CZ3-CD1 3.8Å; W551-F634 HydrophobicContact CZ3-CE1 4.34Å; W551-F634 HydrophobicContact CZ3-CG 4.4Å; W551-F636 AromaticContact CE3-CE2 3.99Å; W551-F636 HydrophobicContact CE3-CE2 3.99Å; W551-F636 AromaticContact CZ3-CE2 3.75Å; W551-F636 HydrophobicContact CZ3-CE2 3.75Å; W551-F636 HydrophobicContact CZ3-CZ 4.3Å |
| 552 | A | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | trans | -71.1 | 140.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C541 D548 K549 N609 F636 | C541-A552 HydrophobicContact CB-CB 3.77Å; D548-A552 HydrophobicContact CB-CB 4.12Å; K549-A552 WeakPolarHBondContact O-CB 3.2Å; K549-A552 PolarHBondContact O-N 3.25Å; A552-N609 WeakPolarHBondContact O-CB 3.41Å; A552-N609 PolarHBondContact O-ND2 2.95Å; A552-F636 HydrophobicContact CB-CZ 4.29Å | ||
| 553 | I | 98.1 | Very high | 95 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | trans | -124 | 159.8 | -178.8 | 67.3 | 164 | 0 | 0 | 0 | 110.8 | I354 L577 R583 L587 N609 F636 L647 | I354-I553 HydrophobicContact CD1-CD1 3.82Å; I354-I553 HydrophobicContact CD1-CG2 4.47Å; I354-I553 HydrophobicContact CG1-CD1 3.96Å; I553-L577 HydrophobicContact CD1-CB 4.34Å; I553-L577 HydrophobicContact CD1-CD1 4.26Å; I553-R583 VanDerWaalsContact CG2-CD 3.46Å; I553-L587 HydrophobicContact CB-CD1 4.36Å; I553-N609 HydrophobicContact CB-CB 4.36Å; I553-N609 HydrophobicContact CG2-CB 4.2Å; I553-F636 HydrophobicContact CD1-CB 3.99Å; I553-F636 HydrophobicContact CD1-CD1 4.41Å; I553-F636 HydrophobicContact CD1-CD2 4.28Å; I553-F636 HydrophobicContact CD1-CG 3.99Å; I553-F636 HydrophobicContact CG1-CB 4.17Å; I553-F636 HydrophobicContact CG1-CD1 3.75Å; I553-F636 HydrophobicContact CG1-CD2 3.69Å; I553-F636 HydrophobicContact CG1-CE1 3.99Å; I553-F636 HydrophobicContact CG1-CE2 3.92Å; I553-F636 HydrophobicContact CG1-CG 3.59Å; I553-F636 HydrophobicContact CG1-CZ 4.07Å; I553-F636 WeakPolarHBondContact O-CE1 3.28Å; I553-L647 HydrophobicContact CD1-CD1 3.91Å | ||
| 554 | G | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -62.6 | 150.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L587 N609 R611 | G554-L587 WeakPolarHBondContact O-CD2 3.46Å; G554-N609 PolarHBondContact N-O 3.35Å; G554-R611 CarbonylContact C-O 3.49Å; G554-R611 WeakPolarHBondContact CA-O 3.4Å | ||
| 555 | T | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -109.4 | -15.6 | -177.7 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | R611 R612 I613 D614 F636 H646 L647 V649 | T555-R611 PolarHBondContact N-O 3.36Å; T555-R612 HydrophobicContact CG2-CG 3.98Å; T555-I613 PolarHBondContact OG1-N 3.06Å; T555-D614 WeakPolarHBondContact CB-OD2 3.44Å; T555-D614 HydrophobicContact CG2-CB 4.17Å; T555-D614 PolarHBondContact OG1-N 3.43Å; T555-D614 VanDerWaalsContact OG1-N 3.14Å; T555-D614 PolarHBondContact OG1-OD2 2.64Å; T555-F636 HydrophobicContact CG2-CD1 3.92Å; T555-F636 HydrophobicContact CG2-CE1 3.91Å; T555-H646 CarbonylContact O-C 3.46Å; T555-H646 WeakPolarHBondContact O-CA 3.24Å; T555-L647 PolarHBondContact O-N 3.18Å; T555-V649 HydrophobicContact CG2-CG2 3.67Å | ||
| 556 | L | 97.4 | Very high | 94.1 | Very high | 26 Ų | 26 | 48 Ų | 48 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -88.9 | 117.2 | 175.1 | -174.7 | 63.8 | 0 | 0 | 0 | 110.7 | L587 V588 R611 I613 | L556-L587 WeakPolarHBondContact O-CA 3.32Å; L556-V588 HydrophobicContact CB-CB 4.29Å; L556-V588 HydrophobicContact CB-CG2 4.42Å; L556-V588 HydrophobicContact CD2-CB 3.86Å; L556-V588 HydrophobicContact CD2-CG1 4.04Å; L556-V588 HydrophobicContact CD2-CG2 3.84Å; L556-V588 HydrophobicContact CG-CB 3.99Å; L556-V588 HydrophobicContact CG-CG2 3.71Å; L556-V588 PolarHBondContact O-N 3.14Å; L556-R611 PolarHBondContact N-O 3.28Å; L556-I613 HydrophobicContact CB-CD1 4.05Å; L556-I613 HydrophobicContact CB-CG1 4.34Å; L556-I613 HydrophobicContact CD1-CD1 4.31Å; L556-I613 HydrophobicContact CD2-CD1 4.07Å; L556-I613 HydrophobicContact CG-CD1 4.38Å |
| 557 | L | 96.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -79.5 | 145.9 | 175.5 | -64.8 | 163 | 0 | 0 | 0 | 110.2 | P559 L562 L573 Y586 L587 V588 D645 L647 | L557-P559 WeakPolarHBondContact O-CD 3.35Å; L557-L562 HydrophobicContact CD1-CD1 4.18Å; L557-L573 HydrophobicContact CD1-CD2 4.39Å; L557-L573 HydrophobicContact CD2-CD1 4.06Å; L557-L573 HydrophobicContact CD2-CD2 4.4Å; L557-Y586 CarbonylContact C-O 2.94Å; L557-Y586 WeakPolarHBondContact CA-O 3.23Å; L557-L587 HydrophobicContact CD2-CD2 3.99Å; L557-V588 WeakPolarHBondContact O-CG2 3.21Å; L557-D645 VanDerWaalsContact CB-O 3.29Å; L557-D645 WeakPolarHBondContact CB-O 3.19Å; L557-D645 PolarHBondContact N-O 3.05Å; L557-L647 HydrophobicContact CD1-CD2 4.11Å; L557-L647 HydrophobicContact CD2-CD2 4.14Å; L557-L647 HydrophobicContact CD2-CG 4.4Å; L557-L647 HydrophobicContact CG-CD2 4.28Å; L557-L647 HydrophobicContact CG-CG 4.37Å |
| 558 | D | 94.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 43.1 Ų | 43.1 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | trans | -68.3 | 115.1 | 169.4 | -173.9 | -16.9 | 0 | 0 | 0 | 108.9 | E560 G561 Y586 V588 | D558-E560 PolarHBondContact O-N 3.34Å; D558-E560 VanDerWaalsContact O-N 3.14Å; D558-E560 PolarHBondContact OD1-N 3.03Å; D558-G561 PolarHBondContact O-N 2.79Å; D558-Y586 PolarHBondContact N-O 3.34Å; D558-V588 HydrophobicContact CB-CG2 4.48Å | ||
| 559 | P | 90.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 43 Ų | 43 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -58.8 | -30.2 | -176.8 | -24.7 | 35.5 | 0 | 0 | 0 | 112.5 | N143 L557 G561 L562 | N143-P559 HydrophobicContact CB-CB 3.73Å; N143-P559 PolarHBondContact ND2-O 2.76Å; L557-P559 WeakPolarHBondContact O-CD 3.35Å; P559-G561 VanDerWaalsContact C-N 3.28Å; P559-G561 PolarHBondContact O-N 2.84Å; P559-L562 WeakPolarHBondContact O-CB 3.35Å; P559-L562 PolarHBondContact O-N 2.9Å |
| 560 | E | 89.3 | Confident | 93.5 | Very high | 147 Ų | 147 | 42.7 Ų | 42.7 | 69% | 0.687 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -61.8 | -36.5 | -176.8 | -67 | -166 | 171.2 | 0 | 0 | 112.8 | T42 D558 | T42-E560 PolarHBondContact OG1-O 2.81Å; D558-E560 PolarHBondContact O-N 3.34Å; D558-E560 VanDerWaalsContact O-N 3.14Å; D558-E560 PolarHBondContact OD1-N 3.03Å |
| 561 | G | 89.5 | Confident | 93.7 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -90.5 | 0.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | D558 P559 Y563 D564 V567 | D558-G561 PolarHBondContact O-N 2.79Å; P559-G561 VanDerWaalsContact C-N 3.28Å; P559-G561 PolarHBondContact O-N 2.84Å; G561-Y563 PolarHBondContact O-N 3.37Å; G561-D564 PolarHBondContact O-N 3.43Å; G561-D564 VanDerWaalsContact O-N 3.08Å; G561-V567 WeakPolarHBondContact O-CG2 3.31Å |
| 562 | L | 90.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.8 | -170.4 | -171.1 | 62.7 | 0 | 0 | 0 | 114.5 | V144 L557 P559 T644 | V144-L562 HydrophobicContact CG1-CD2 3.35Å; L557-L562 HydrophobicContact CD1-CD1 4.18Å; P559-L562 WeakPolarHBondContact O-CB 3.35Å; P559-L562 PolarHBondContact O-N 2.9Å; L562-T644 WeakPolarHBondContact CD1-O 3.3Å |
| 563 | Y | 91.5 | Very high | 93.8 | Very high | 29 Ų | 29 | 42 Ų | 42 | 11% | 0.114 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 15.5 | -177.2 | -56.3 | -64.5 | 0 | 0 | 0 | 113.8 | T42 Y43 R46 N143 V144 F145 G561 | T42-Y563 WeakPolarHBondContact OG1-CD2 3.49Å; Y43-Y563 HydrophobicContact CD2-CG 4.44Å; R46-Y563 PolarHBondContact NH1-O 3.02Å; N143-Y563 WeakPolarHBondContact O-CE2 3.44Å; N143-Y563 PolarHBondContact O-OH 3.08Å; V144-Y563 WeakPolarHBondContact CA-OH 3.41Å; F145-Y563 WeakPolarHBondContact CD1-OH 3.34Å; F145-Y563 HydrophobicContact CE1-CE1 4.38Å; F145-Y563 AromaticContact CE1-CZ 3.99Å; G561-Y563 PolarHBondContact O-N 3.37Å |
| 564 | D | 92.6 | Very high | 93.8 | Very high | 42 Ų | 42 | 43.6 Ų | 43.6 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | trans | -69.4 | 140.2 | 172.1 | -66.2 | -16.1 | 0 | 0 | 0 | 110 | R46 G561 E566 V567 C568 Y586 | R46-D564 IonicContact CZ-OD1 3.65Å; R46-D564 IonicContact NH1-OD1 3.78Å; R46-D564 IonicContact NH2-OD1 2.66Å; R46-D564 PolarHBondContact NH2-OD1 2.99Å; G561-D564 PolarHBondContact O-N 3.43Å; G561-D564 VanDerWaalsContact O-N 3.08Å; D564-E566 PolarHBondContact O-N 3.07Å; D564-E566 VanDerWaalsContact O-N 3.12Å; D564-V567 HydrophobicContact CB-CG2 4.04Å; D564-V567 WeakPolarHBondContact O-CG2 3.46Å; D564-V567 PolarHBondContact O-N 3.34Å; D564-C568 WeakPolarHBondContact O-CB 3.24Å; D564-C568 PolarHBondContact O-N 3.21Å; D564-Y586 HydrophobicContact CB-CE1 3.94Å; D564-Y586 PolarHBondContact OD2-OH 2.73Å | ||
| 565 | E | 89.6 | Confident | 93.7 | Very high | 161 Ų | 161 | 50.1 Ų | 50.1 | 75% | 0.752 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.4 | -176.7 | -63.5 | -174.6 | 169.1 | 0 | 0 | 112.4 | V567 N572 | E565-V567 PolarHBondContact O-N 3.42Å; E565-N572 PolarHBondContact O-ND2 3.39Å |
| 566 | E | 90.1 | Very high | 93.7 | Very high | 125 Ų | 125 | 51.1 Ų | 51.1 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.4 | 176.8 | -58.8 | -179.7 | 168.9 | 0 | 0 | 113.6 | D564 N572 V576 Y586 | D564-E566 PolarHBondContact O-N 3.07Å; D564-E566 VanDerWaalsContact O-N 3.12Å; E566-N572 CarbonylContact O-C 3.57Å; E566-N572 VanDerWaalsContact O-CB 3.27Å; E566-N572 WeakPolarHBondContact O-CB 3.2Å; E566-V576 VanDerWaalsContact O-CG2 3.27Å; E566-V576 WeakPolarHBondContact O-CG2 3.32Å; E566-Y586 PolarHBondContact OE2-OH 3.16Å |
| 567 | V | 90.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136 | -5.8 | -176.6 | -63.5 | 0 | 0 | 0 | 0 | 114.7 | G561 D564 E565 T569 L573 V576 Y586 | G561-V567 WeakPolarHBondContact O-CG2 3.31Å; D564-V567 HydrophobicContact CB-CG2 4.04Å; D564-V567 WeakPolarHBondContact O-CG2 3.46Å; D564-V567 PolarHBondContact O-N 3.34Å; E565-V567 PolarHBondContact O-N 3.42Å; V567-T569 PolarHBondContact O-N 2.83Å; V567-T569 VanDerWaalsContact O-N 3.12Å; V567-L573 HydrophobicContact CB-CB 4.39Å; V567-L573 HydrophobicContact CB-CD1 3.96Å; V567-L573 HydrophobicContact CG1-CD1 3.96Å; V567-V576 HydrophobicContact CG1-CB 4.08Å; V567-V576 HydrophobicContact CG1-CG1 3.91Å; V567-V576 HydrophobicContact CG1-CG2 3.9Å; V567-Y586 HydrophobicContact CB-CD1 4.28Å; V567-Y586 HydrophobicContact CB-CE1 4.15Å; V567-Y586 HydrophobicContact CG1-CD1 3.63Å; V567-Y586 HydrophobicContact CG1-CD2 3.83Å; V567-Y586 HydrophobicContact CG1-CE1 3.52Å; V567-Y586 HydrophobicContact CG1-CE2 3.71Å; V567-Y586 HydrophobicContact CG1-CG 3.77Å; V567-Y586 HydrophobicContact CG2-CD1 3.81Å; V567-Y586 HydrophobicContact CG2-CE1 3.5Å |
| 568 | C | 87.6 | Confident | 93.7 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -71.1 | -8.5 | -174 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | D564 | D564-C568 WeakPolarHBondContact O-CB 3.24Å; D564-C568 PolarHBondContact O-N 3.21Å |
| 569 | T | 95.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -115.6 | 150.7 | 175.1 | 73.3 | 0 | 0 | 0 | 0 | 111.4 | V567 D571 N572 L573 | V567-T569 PolarHBondContact O-N 2.83Å; V567-T569 VanDerWaalsContact O-N 3.12Å; T569-D571 VanDerWaalsContact C-N 3.33Å; T569-D571 PolarHBondContact O-N 3.02Å; T569-N572 PolarHBondContact O-N 3.41Å; T569-N572 VanDerWaalsContact O-N 3.16Å; T569-N572 VanDerWaalsContact OG1-CB 3.23Å; T569-N572 WeakPolarHBondContact OG1-CB 3.2Å; T569-N572 PolarHBondContact OG1-N 3.42Å; T569-N572 PolarHBondContact OG1-ND2 2.75Å; T569-L573 PolarHBondContact O-N 2.98Å |
| 570 | P | 97.2 | Very high | 93.9 | Very high | 28 Ų | 28 | 55.5 Ų | 55.5 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.5 | -45.5 | 179.5 | -31.2 | 38.4 | 0 | 0 | 0 | 114.6 | A356 Q574 T638 | A356-P570 HydrophobicContact CB-CB 4.11Å; P570-Q574 WeakPolarHBondContact O-CB 3.35Å; P570-Q574 PolarHBondContact O-N 2.7Å; P570-T638 WeakPolarHBondContact CA-O 3.12Å; P570-T638 PolarHBondContact O-OG1 3.25Å |
| 571 | D | 97.5 | Very high | 94 | Very high | 76 Ų | 76 | 55.1 Ų | 55.1 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.9 | -35.3 | -179.1 | -68.2 | -34.6 | 0 | 0 | 0 | 112.1 | A356 T569 K575 | A356-D571 WeakPolarHBondContact CB-OD1 3.5Å; T569-D571 VanDerWaalsContact C-N 3.33Å; T569-D571 PolarHBondContact O-N 3.02Å; D571-K575 VanDerWaalsContact O-CG 3.28Å; D571-K575 WeakPolarHBondContact O-CG 3.32Å; D571-K575 PolarHBondContact O-N 3.22Å; D571-K575 VanDerWaalsContact O-N 3.14Å |
| 572 | N | 97.2 | Very high | 94.2 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.4 | -47.6 | 178.4 | -70.7 | -5.6 | 0 | 0 | 0 | 110.5 | E565 E566 T569 Q574 K575 V576 | E565-N572 PolarHBondContact O-ND2 3.39Å; E566-N572 CarbonylContact O-C 3.57Å; E566-N572 VanDerWaalsContact O-CB 3.27Å; E566-N572 WeakPolarHBondContact O-CB 3.2Å; T569-N572 PolarHBondContact O-N 3.41Å; T569-N572 VanDerWaalsContact O-N 3.16Å; T569-N572 VanDerWaalsContact OG1-CB 3.23Å; T569-N572 WeakPolarHBondContact OG1-CB 3.2Å; T569-N572 PolarHBondContact OG1-N 3.42Å; T569-N572 PolarHBondContact OG1-ND2 2.75Å; N572-Q574 VanDerWaalsContact C-N 3.28Å; N572-Q574 PolarHBondContact O-N 2.85Å; N572-K575 PolarHBondContact O-N 3.48Å; N572-K575 VanDerWaalsContact O-N 3.15Å; N572-V576 WeakPolarHBondContact O-CG2 3.36Å; N572-V576 PolarHBondContact O-N 2.84Å |
| 573 | L | 97.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 175.4 | -177.8 | 59.1 | 0 | 0 | 0 | 111.6 | L557 V567 T569 V576 L577 T638 A641 L647 | L557-L573 HydrophobicContact CD1-CD2 4.39Å; L557-L573 HydrophobicContact CD2-CD1 4.06Å; L557-L573 HydrophobicContact CD2-CD2 4.4Å; V567-L573 HydrophobicContact CB-CB 4.39Å; V567-L573 HydrophobicContact CB-CD1 3.96Å; V567-L573 HydrophobicContact CG1-CD1 3.96Å; T569-L573 PolarHBondContact O-N 2.98Å; L573-V576 PolarHBondContact O-N 3.26Å; L573-L577 HydrophobicContact CD1-CD1 3.78Å; L573-L577 HydrophobicContact CD1-CD2 4.26Å; L573-L577 HydrophobicContact CD1-CG 3.8Å; L573-L577 HydrophobicContact CG-CD1 3.85Å; L573-L577 HydrophobicContact CG-CG 4.25Å; L573-L577 WeakPolarHBondContact O-CB 3.43Å; L573-L577 VanDerWaalsContact O-CG 3.25Å; L573-L577 WeakPolarHBondContact O-CG 3.36Å; L573-L577 PolarHBondContact O-N 3.36Å; L573-T638 HydrophobicContact CB-CG2 4.22Å; L573-T638 HydrophobicContact CD2-CG2 4.03Å; L573-T638 HydrophobicContact CG-CG2 3.76Å; L573-A641 HydrophobicContact CB-CB 4.16Å; L573-A641 HydrophobicContact CD2-CB 3.78Å; L573-L647 HydrophobicContact CD2-CD2 4Å |
| 574 | Q | 98.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 56.9 Ų | 56.9 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.1 | -53.7 | 173.4 | -177.7 | -173.7 | 33 | 0 | 0 | 111.2 | I354 P570 N572 V576 L577 E578 T638 | I354-Q574 HydrophobicContact CG2-CG 4.12Å; I354-Q574 PolarHBondContact O-NE2 2.89Å; P570-Q574 WeakPolarHBondContact O-CB 3.35Å; P570-Q574 PolarHBondContact O-N 2.7Å; N572-Q574 VanDerWaalsContact C-N 3.28Å; N572-Q574 PolarHBondContact O-N 2.85Å; Q574-V576 VanDerWaalsContact C-N 3.3Å; Q574-V576 PolarHBondContact O-N 3.35Å; Q574-L577 PolarHBondContact O-N 3.24Å; Q574-E578 WeakPolarHBondContact O-CG 2.99Å; Q574-E578 PolarHBondContact O-N 3.36Å; Q574-T638 HydrophobicContact CB-CG2 4.39Å |
| 575 | K | 97.4 | Very high | 94.5 | Very high | 136 Ų | 136 | 55.8 Ų | 55.8 | 59% | 0.591 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.6 | -40.9 | -179.9 | -70.7 | 167.2 | -170.1 | 165.2 | 0 | 112.3 | D571 N572 | D571-K575 VanDerWaalsContact O-CG 3.28Å; D571-K575 WeakPolarHBondContact O-CG 3.32Å; D571-K575 PolarHBondContact O-N 3.22Å; D571-K575 VanDerWaalsContact O-N 3.14Å; N572-K575 PolarHBondContact O-N 3.48Å; N572-K575 VanDerWaalsContact O-N 3.15Å |
| 576 | V | 97 | Very high | 94.7 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 178.5 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | E566 V567 N572 L573 Q574 E578 S579 G582 Y586 | E566-V576 VanDerWaalsContact O-CG2 3.27Å; E566-V576 WeakPolarHBondContact O-CG2 3.32Å; V567-V576 HydrophobicContact CG1-CB 4.08Å; V567-V576 HydrophobicContact CG1-CG1 3.91Å; V567-V576 HydrophobicContact CG1-CG2 3.9Å; N572-V576 WeakPolarHBondContact O-CG2 3.36Å; N572-V576 PolarHBondContact O-N 2.84Å; L573-V576 PolarHBondContact O-N 3.26Å; Q574-V576 VanDerWaalsContact C-N 3.3Å; Q574-V576 PolarHBondContact O-N 3.35Å; V576-E578 VanDerWaalsContact C-N 3.28Å; V576-E578 PolarHBondContact O-N 2.67Å; V576-S579 PolarHBondContact O-N 2.64Å; V576-S579 VanDerWaalsContact O-N 3.07Å; V576-S579 PolarHBondContact O-OG 2.9Å; V576-G582 WeakPolarHBondContact O-CA 3.11Å; V576-Y586 HydrophobicContact CG1-CD2 3.41Å; V576-Y586 VanDerWaalsContact CG1-CD2 3.41Å; V576-Y586 HydrophobicContact CG1-CE2 3.82Å; V576-Y586 HydrophobicContact CG1-CG 4.23Å |
| 577 | L | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.9 | -19.4 | -176.7 | -63.9 | 178.6 | 0 | 0 | 0 | 113.8 | I354 I553 L573 Q574 S579 R583 L587 T638 L647 | I354-L577 HydrophobicContact CD1-CB 3.91Å; I354-L577 WeakPolarHBondContact CD1-O 3.46Å; I354-L577 HydrophobicContact CG2-CB 4.4Å; I553-L577 HydrophobicContact CD1-CB 4.34Å; I553-L577 HydrophobicContact CD1-CD1 4.26Å; L573-L577 HydrophobicContact CD1-CD1 3.78Å; L573-L577 HydrophobicContact CD1-CD2 4.26Å; L573-L577 HydrophobicContact CD1-CG 3.8Å; L573-L577 HydrophobicContact CG-CD1 3.85Å; L573-L577 HydrophobicContact CG-CG 4.25Å; L573-L577 WeakPolarHBondContact O-CB 3.43Å; L573-L577 VanDerWaalsContact O-CG 3.25Å; L573-L577 WeakPolarHBondContact O-CG 3.36Å; L573-L577 PolarHBondContact O-N 3.36Å; Q574-L577 PolarHBondContact O-N 3.24Å; L577-S579 PolarHBondContact O-N 3.35Å; L577-R583 HydrophobicContact CB-CG 4.49Å; L577-R583 HydrophobicContact CD2-CG 4.22Å; L577-R583 WeakPolarHBondContact O-CD 3.28Å; L577-R583 WeakPolarHBondContact O-CG 3.21Å; L577-R583 PolarHBondContact O-NH1 2.92Å; L577-L587 HydrophobicContact CD2-CD1 4.07Å; L577-L587 HydrophobicContact CD2-CD2 3.89Å; L577-L587 HydrophobicContact CD2-CG 3.77Å; L577-T638 HydrophobicContact CD1-CG2 3.88Å; L577-L647 HydrophobicContact CD1-CD1 3.55Å; L577-L647 HydrophobicContact CD1-CD2 4.01Å; L577-L647 HydrophobicContact CD1-CG 4.42Å |
| 578 | E | 96.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 45 Ų | 45 | 41% | 0.411 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.9 | -26.7 | 169.5 | -77.2 | -170.3 | -149.1 | 0 | 0 | 112.7 | K342 I354 Q574 V576 R583 | K342-E578 IonicContact NZ-OE2 2.85Å; K342-E578 PolarHBondContact NZ-OE2 3.17Å; I354-E578 HydrophobicContact CD1-CG 4.18Å; Q574-E578 WeakPolarHBondContact O-CG 2.99Å; Q574-E578 PolarHBondContact O-N 3.36Å; V576-E578 VanDerWaalsContact C-N 3.28Å; V576-E578 PolarHBondContact O-N 2.67Å; E578-R583 PolarHBondContact O-NH1 3.26Å; E578-R583 VanDerWaalsContact O-NH1 3.14Å |
| 579 | S | 95.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 31% | 0.308 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -90.7 | 143.6 | 177.3 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | V576 L577 E581 G582 R583 | V576-S579 PolarHBondContact O-N 2.64Å; V576-S579 VanDerWaalsContact O-N 3.07Å; V576-S579 PolarHBondContact O-OG 2.9Å; L577-S579 PolarHBondContact O-N 3.35Å; S579-E581 VanDerWaalsContact C-N 3.33Å; S579-G582 PolarHBondContact O-N 3.04Å; S579-G582 WeakPolarHBondContact OG-CA 3.17Å; S579-G582 PolarHBondContact OG-N 3.27Å; S579-R583 WeakPolarHBondContact O-CG 2.93Å; S579-R583 PolarHBondContact O-N 2.85Å; S579-R583 PolarHBondContact O-NH1 3.36Å |
| 580 | E | 93.5 | Very high | 94.9 | Very high | 88 Ų | 88 | 44.8 Ų | 44.8 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.2 | -38.4 | 177.4 | -172.1 | -175.6 | 157.6 | 0 | 0 | 111.4 | R583 K584 | E580-R583 PolarHBondContact O-N 3.1Å; E580-K584 HydrophobicContact CG-CD 4.5Å; E580-K584 WeakPolarHBondContact O-CG 3.49Å; E580-K584 PolarHBondContact O-N 3.29Å; E580-K584 WeakPolarHBondContact OE1-CE 3.41Å; E580-K584 IonicContact OE1-NZ 3.5Å; E580-K584 PolarHBondContact OE1-NZ 2.85Å |
| 581 | E | 92.1 | Very high | 93.7 | Very high | 139 Ų | 139 | 48.9 Ų | 48.9 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 177.4 | -64 | 70.7 | -154.6 | 0 | 0 | 111.5 | S579 K584 G585 | S579-E581 VanDerWaalsContact C-N 3.33Å; E581-K584 PolarHBondContact O-N 2.95Å; E581-G585 PolarHBondContact O-N 3.12Å |
| 582 | G | 93.9 | Very high | 91.8 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V576 S579 K584 G585 Y586 | V576-G582 WeakPolarHBondContact O-CA 3.11Å; S579-G582 PolarHBondContact O-N 3.04Å; S579-G582 WeakPolarHBondContact OG-CA 3.17Å; S579-G582 PolarHBondContact OG-N 3.27Å; G582-K584 PolarHBondContact O-N 2.75Å; G582-G585 WeakPolarHBondContact O-CA 3.29Å; G582-G585 PolarHBondContact O-N 2.99Å; G582-Y586 WeakPolarHBondContact O-CD2 3.32Å; G582-Y586 PolarHBondContact O-N 3.31Å |
| 583 | R | 95.6 | Very high | 89.7 | Confident | 30 Ų | 30 | 54.3 Ų | 54.3 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 172.6 | -71.9 | -166.8 | -60.2 | -81.3 | 5 | 112 | I553 L577 E578 S579 E580 G585 Y586 L587 N609 | I553-R583 VanDerWaalsContact CG2-CD 3.46Å; L577-R583 HydrophobicContact CB-CG 4.49Å; L577-R583 HydrophobicContact CD2-CG 4.22Å; L577-R583 WeakPolarHBondContact O-CD 3.28Å; L577-R583 WeakPolarHBondContact O-CG 3.21Å; L577-R583 PolarHBondContact O-NH1 2.92Å; E578-R583 PolarHBondContact O-NH1 3.26Å; E578-R583 VanDerWaalsContact O-NH1 3.14Å; S579-R583 WeakPolarHBondContact O-CG 2.93Å; S579-R583 PolarHBondContact O-N 2.85Å; S579-R583 PolarHBondContact O-NH1 3.36Å; E580-R583 PolarHBondContact O-N 3.1Å; R583-G585 PolarHBondContact O-N 3.21Å; R583-Y586 PolarHBondContact O-N 2.94Å; R583-L587 HydrophobicContact CB-CD1 3.93Å; R583-L587 HydrophobicContact CG-CD1 3.84Å; R583-L587 WeakPolarHBondContact O-CB 3.33Å; R583-L587 PolarHBondContact O-N 3.3Å; R583-N609 PolarHBondContact NE-OD1 2.97Å; R583-N609 VanDerWaalsContact NE-OD1 3.12Å; R583-N609 PolarHBondContact NH2-OD1 3Å |
| 584 | K | 92.6 | Very high | 87 | Confident | 40 Ų | 40 | 61 Ų | 61 | 17% | 0.174 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -20.3 | 174.9 | -71.2 | 174.6 | -175.4 | 168.9 | 0 | 114.2 | E580 E581 G582 Y589 L606 | E580-K584 HydrophobicContact CG-CD 4.5Å; E580-K584 WeakPolarHBondContact O-CG 3.49Å; E580-K584 PolarHBondContact O-N 3.29Å; E580-K584 WeakPolarHBondContact OE1-CE 3.41Å; E580-K584 IonicContact OE1-NZ 3.5Å; E580-K584 PolarHBondContact OE1-NZ 2.85Å; E581-K584 PolarHBondContact O-N 2.95Å; G582-K584 PolarHBondContact O-N 2.75Å; K584-Y589 HydrophobicContact CB-CE2 4.5Å; K584-Y589 HydrophobicContact CG-CE2 4.25Å; K584-L606 HydrophobicContact CB-CD1 4.35Å; K584-L606 HydrophobicContact CD-CB 4.48Å; K584-L606 WeakPolarHBondContact CE-O 3.07Å; K584-L606 HydrophobicContact CG-CB 4.29Å; K584-L606 HydrophobicContact CG-CD1 4.42Å |
| 585 | G | 91.3 | Very high | 84.3 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -86.7 | -31.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | E581 G582 R583 | E581-G585 PolarHBondContact O-N 3.12Å; G582-G585 WeakPolarHBondContact O-CA 3.29Å; G582-G585 PolarHBondContact O-N 2.99Å; R583-G585 PolarHBondContact O-N 3.21Å |
| 586 | Y | 95.4 | Very high | 81.1 | Confident | 23 Ų | 23 | 62 Ų | 62 | 9% | 0.09 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -131.7 | -6.2 | -165.4 | -68.4 | -83 | 0 | 0 | 0 | 115.2 | L557 D558 D564 E566 V567 V576 G582 R583 | L557-Y586 CarbonylContact C-O 2.94Å; L557-Y586 WeakPolarHBondContact CA-O 3.23Å; D558-Y586 PolarHBondContact N-O 3.34Å; D564-Y586 HydrophobicContact CB-CE1 3.94Å; D564-Y586 PolarHBondContact OD2-OH 2.73Å; E566-Y586 PolarHBondContact OE2-OH 3.16Å; V567-Y586 HydrophobicContact CB-CD1 4.28Å; V567-Y586 HydrophobicContact CB-CE1 4.15Å; V567-Y586 HydrophobicContact CG1-CD1 3.63Å; V567-Y586 HydrophobicContact CG1-CD2 3.83Å; V567-Y586 HydrophobicContact CG1-CE1 3.52Å; V567-Y586 HydrophobicContact CG1-CE2 3.71Å; V567-Y586 HydrophobicContact CG1-CG 3.77Å; V567-Y586 HydrophobicContact CG2-CD1 3.81Å; V567-Y586 HydrophobicContact CG2-CE1 3.5Å; V576-Y586 HydrophobicContact CG1-CD2 3.41Å; V576-Y586 VanDerWaalsContact CG1-CD2 3.41Å; V576-Y586 HydrophobicContact CG1-CE2 3.82Å; V576-Y586 HydrophobicContact CG1-CG 4.23Å; G582-Y586 WeakPolarHBondContact O-CD2 3.32Å; G582-Y586 PolarHBondContact O-N 3.31Å; R583-Y586 PolarHBondContact O-N 2.94Å |
| 587 | L | 95.9 | Very high | 78.1 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -101 | 147.3 | 169.7 | -62.4 | 177.1 | 0 | 0 | 0 | 110.4 | I553 G554 L556 L557 L577 R583 Y589 N609 L647 | I553-L587 HydrophobicContact CB-CD1 4.36Å; G554-L587 WeakPolarHBondContact O-CD2 3.46Å; L556-L587 WeakPolarHBondContact O-CA 3.32Å; L557-L587 HydrophobicContact CD2-CD2 3.99Å; L577-L587 HydrophobicContact CD2-CD1 4.07Å; L577-L587 HydrophobicContact CD2-CD2 3.89Å; L577-L587 HydrophobicContact CD2-CG 3.77Å; R583-L587 HydrophobicContact CB-CD1 3.93Å; R583-L587 HydrophobicContact CG-CD1 3.84Å; R583-L587 WeakPolarHBondContact O-CB 3.33Å; R583-L587 PolarHBondContact O-N 3.3Å; L587-Y589 HydrophobicContact CB-CE2 4.28Å; L587-Y589 WeakPolarHBondContact O-CD2 3.3Å; L587-N609 WeakPolarHBondContact CD1-O 3.32Å; L587-L647 HydrophobicContact CD2-CD1 4.23Å |
| 588 | V | 93.9 | Very high | 75.2 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 21% | 0.212 | 41% | 0.405 | C | S | . | . | trans | -71.5 | 134.6 | 171 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | L556 L557 D558 G610 R611 | L556-V588 HydrophobicContact CB-CB 4.29Å; L556-V588 HydrophobicContact CB-CG2 4.42Å; L556-V588 HydrophobicContact CD2-CB 3.86Å; L556-V588 HydrophobicContact CD2-CG1 4.04Å; L556-V588 HydrophobicContact CD2-CG2 3.84Å; L556-V588 HydrophobicContact CG-CB 3.99Å; L556-V588 HydrophobicContact CG-CG2 3.71Å; L556-V588 PolarHBondContact O-N 3.14Å; L557-V588 WeakPolarHBondContact O-CG2 3.21Å; D558-V588 HydrophobicContact CB-CG2 4.48Å; V588-G610 CarbonylContact O-C 3.5Å; V588-G610 WeakPolarHBondContact O-CA 3.36Å; V588-R611 WeakPolarHBondContact O-CG 3.35Å; V588-R611 PolarHBondContact O-N 3.39Å | ||
| 589 | Y | 92 | Very high | 72.3 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 8% | 0.075 | 42% | 0.415 | C | S | . | . | trans | -113.3 | 156.5 | 174.3 | -82.9 | -103.4 | 0 | 0 | 0 | 110.9 | K584 L587 T591 L606 G608 G610 | K584-Y589 HydrophobicContact CB-CE2 4.5Å; K584-Y589 HydrophobicContact CG-CE2 4.25Å; L587-Y589 HydrophobicContact CB-CE2 4.28Å; L587-Y589 WeakPolarHBondContact O-CD2 3.3Å; Y589-T591 PolarHBondContact O-N 2.9Å; Y589-L606 HydrophobicContact CD1-CB 3.81Å; Y589-L606 HydrophobicContact CD1-CD1 4.48Å; Y589-L606 HydrophobicContact CD1-CD2 4.33Å; Y589-L606 HydrophobicContact CD1-CG 4.42Å; Y589-L606 HydrophobicContact CD2-CD1 4.01Å; Y589-L606 HydrophobicContact CE1-CB 3.97Å; Y589-L606 HydrophobicContact CE2-CD1 4.48Å; Y589-L606 HydrophobicContact CG-CB 4.18Å; Y589-L606 HydrophobicContact CG-CD1 4.02Å; Y589-L606 HydrophobicContact CG-CD2 4.11Å; Y589-L606 HydrophobicContact CG-CG 4.32Å; Y589-G608 VanDerWaalsContact CE1-O 3.23Å; Y589-G608 WeakPolarHBondContact CE1-O 3.42Å; Y589-G608 PolarHBondContact OH-O 2.89Å; Y589-G610 VanDerWaalsContact CZ-N 3.32Å; Y589-G610 PolarHBondContact OH-N 3.46Å | ||
| 590 | P | 85.4 | Confident | 69.8 | Low | 41 Ų | 41 | 83 Ų | 83 | 27% | 0.266 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 126.8 | 173.5 | -23.6 | 34.2 | 0 | 0 | 0 | 111.4 | S592 R611 | P590-S592 PolarHBondContact O-N 2.73Å; P590-R611 HydrophobicContact CG-CG 4.01Å |
| 591 | T | 72.6 | Confident | 67.2 | Low | 115 Ų | 115 | 81.1 Ų | 81.1 | 71% | 0.706 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 126.8 | 177.1 | 29 | 0 | 0 | 0 | 0 | 111 | Y589 K593 | Y589-T591 PolarHBondContact O-N 2.9Å; T591-K593 PolarHBondContact O-N 2.93Å |
| 592 | S | 56.8 | Low | 64.8 | Low | 74 Ų | 74 | 85 Ų | 85 | 52% | 0.517 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 123.9 | 172.3 | 179 | 0 | 0 | 0 | 0 | 109.9 | P590 N594 H595 | P590-S592 PolarHBondContact O-N 2.73Å; S592-N594 PolarHBondContact O-N 3.32Å; S592-H595 PolarHBondContact O-N 2.8Å |
| 593 | K | 52.3 | Low | 62.8 | Low | 169 Ų | 169 | 91.2 Ų | 91.2 | 74% | 0.735 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -8 | 179.4 | -68.5 | -173.9 | 179 | -178.8 | 0 | 115.3 | E524 T591 | E524-K593 WeakPolarHBondContact OE1-CE 3.46Å; E524-K593 IonicContact OE1-NZ 2.83Å; T591-K593 PolarHBondContact O-N 2.93Å |
| 594 | N | 42.3 | Very low | 60.4 | Low | 145 Ų | 145 | 94.1 Ų | 94.1 | 78% | 0.775 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 6.2 | -176.9 | -70.5 | -17.3 | 0 | 0 | 0 | 115 | S592 | S592-N594 PolarHBondContact O-N 3.32Š|
| 595 | H | 40.6 | Very low | 58.7 | Low | 117 Ų | 117 | 96.8 Ų | 96.8 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | trans | -117.8 | 117.1 | 176.7 | -76.1 | -64.5 | 0 | 0 | 0 | 112.4 | S592 | S592-H595 PolarHBondContact O-N 2.8Š| ||
| 596 | S | 30.2 | Very low | 57.6 | Low | 78 Ų | 78 | 98.3 Ų | 98.3 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | trans | -60 | 145.5 | 166 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | S598 | S596-S598 PolarHBondContact O-N 3.08Š| ||
| 597 | S | 35.6 | Very low | 56.6 | Low | 137 Ų | 137 | 106.3 Ų | 106.3 | 96% | 0.958 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 12.4 | -176.7 | 52.9 | 0 | 0 | 0 | 0 | 117.1 | ||
| 598 | S | 35.2 | Very low | 55.9 | Low | 98 Ų | 98 | 108 Ų | 108 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | 9 | -172.5 | 56 | 0 | 0 | 0 | 0 | 114.7 | S596 | S596-S598 PolarHBondContact O-N 3.08Š|
| 599 | Q | 36.7 | Very low | 55.8 | Low | 134 Ų | 134 | 108 Ų | 108 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | trans | -121.3 | 114.9 | 171.7 | -67.7 | -165.4 | -16.5 | 0 | 0 | 110.6 | G601 | Q599-G601 PolarHBondContact O-N 3Š| ||
| 600 | K | 42.7 | Very low | 56 | Low | 227 Ų | 227 | 107.2 Ų | 107.2 | 99% | 0.987 | 59% | 0.592 | S | S | * | * | trans | -52.1 | 81.1 | 154.3 | -101.2 | 178.9 | 171.4 | 176.3 | 0 | 107.7 | ||||
| 601 | G | 37.3 | Very low | 56.4 | Low | 47 Ų | 47 | 107.1 Ų | 107.1 | 49% | 0.485 | 59% | 0.586 | S | S | . | * | trans | -83.8 | 128 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q599 K603 | Q599-G601 PolarHBondContact O-N 3Å; G601-K603 PolarHBondContact O-N 2.94Å | ||
| 602 | R | 43.4 | Very low | 57.7 | Low | 221 Ų | 221 | 101.7 Ų | 101.7 | 83% | 0.834 | 55% | 0.553 | S | S | * | * | trans | -29 | 114.6 | -179.7 | -71.7 | 171.8 | 171.6 | 176.9 | -3.6 | 114 | A604 S605 | R602-A604 PolarHBondContact O-N 3.31Å; R602-S605 PolarHBondContact O-N 2.94Å | ||
| 603 | K | 51.7 | Low | 59.6 | Low | 141 Ų | 141 | 98.3 Ų | 98.3 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -52.7 | -9 | 170.1 | -64.2 | -174.2 | 175.3 | -171 | 0 | 114.6 | G601 | G601-K603 PolarHBondContact O-N 2.94Š|
| 604 | A | 45.4 | Very low | 61.8 | Low | 90 Ų | 90 | 90.4 Ų | 90.4 | 74% | 0.744 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -77.2 | -16.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R602 | R602-A604 PolarHBondContact O-N 3.31Š|
| 605 | S | 56.2 | Low | 64.5 | Low | 96 Ų | 96 | 83.6 Ų | 83.6 | 67% | 0.671 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -103.5 | 4.5 | -178 | 68.8 | 0 | 0 | 0 | 0 | 115.2 | R602 K607 | R602-S605 PolarHBondContact O-N 2.94Å; S605-K607 PolarHBondContact O-N 3.15Å |
| 606 | L | 68.3 | Low | 67.3 | Low | 52 Ų | 52 | 78 Ų | 78 | 27% | 0.272 | 43% | 0.432 | S | S | . | . | trans | -73.7 | 117.2 | 176.3 | -62.1 | 177.4 | 0 | 0 | 0 | 109.3 | K584 Y589 | K584-L606 HydrophobicContact CB-CD1 4.35Å; K584-L606 HydrophobicContact CD-CB 4.48Å; K584-L606 WeakPolarHBondContact CE-O 3.07Å; K584-L606 HydrophobicContact CG-CB 4.29Å; K584-L606 HydrophobicContact CG-CD1 4.42Å; Y589-L606 HydrophobicContact CD1-CB 3.81Å; Y589-L606 HydrophobicContact CD1-CD1 4.48Å; Y589-L606 HydrophobicContact CD1-CD2 4.33Å; Y589-L606 HydrophobicContact CD1-CG 4.42Å; Y589-L606 HydrophobicContact CD2-CD1 4.01Å; Y589-L606 HydrophobicContact CE1-CB 3.97Å; Y589-L606 HydrophobicContact CE2-CD1 4.48Å; Y589-L606 HydrophobicContact CG-CB 4.18Å; Y589-L606 HydrophobicContact CG-CD1 4.02Å; Y589-L606 HydrophobicContact CG-CD2 4.11Å; Y589-L606 HydrophobicContact CG-CG 4.32Å | ||
| 607 | K | 73.6 | Confident | 70.5 | Confident | 191 Ų | 191 | 74.3 Ų | 74.3 | 83% | 0.83 | 41% | 0.406 | S | S | * | . | trans | -98.3 | 143.6 | 175.4 | -69.1 | -174.7 | 178.1 | -176.6 | 0 | 109.8 | S605 | S605-K607 PolarHBondContact O-N 3.15Š| ||
| 608 | G | 82.5 | Confident | 73.5 | Confident | 41 Ų | 41 | 69 Ų | 69 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 91.6 | -171.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y589 | Y589-G608 VanDerWaalsContact CE1-O 3.23Å; Y589-G608 WeakPolarHBondContact CE1-O 3.42Å; Y589-G608 PolarHBondContact OH-O 2.89Å |
| 609 | N | 91.9 | Very high | 76.4 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -109.8 | 21.8 | -174.3 | -67.7 | -38.2 | 0 | 0 | 0 | 113.4 | P550 A552 I553 G554 R583 L587 | P550-N609 PolarHBondContact O-ND2 3.48Å; A552-N609 WeakPolarHBondContact O-CB 3.41Å; A552-N609 PolarHBondContact O-ND2 2.95Å; I553-N609 HydrophobicContact CB-CB 4.36Å; I553-N609 HydrophobicContact CG2-CB 4.2Å; G554-N609 PolarHBondContact N-O 3.35Å; R583-N609 PolarHBondContact NE-OD1 2.97Å; R583-N609 VanDerWaalsContact NE-OD1 3.12Å; R583-N609 PolarHBondContact NH2-OD1 3Å; L587-N609 WeakPolarHBondContact CD1-O 3.32Å |
| 610 | G | 94.3 | Very high | 79 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | trans | 99.1 | 175.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V588 Y589 | V588-G610 CarbonylContact O-C 3.5Å; V588-G610 WeakPolarHBondContact O-CA 3.36Å; Y589-G610 VanDerWaalsContact CZ-N 3.32Å; Y589-G610 PolarHBondContact OH-N 3.46Å | ||
| 611 | R | 95.8 | Very high | 81.1 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | trans | -83.8 | 112.9 | 177.9 | -64.2 | -172.9 | 77 | -145.6 | -1.9 | 110.5 | D519 D525 G554 T555 L556 V588 P590 I613 | D519-R611 HydrophobicContact CB-CB 4.03Å; D519-R611 HydrophobicContact CB-CG 4.3Å; D519-R611 WeakPolarHBondContact OD2-CG 3.38Å; D519-R611 IonicContact OD2-CZ 3.85Å; D519-R611 IonicContact OD2-NE 3.36Å; D519-R611 PolarHBondContact OD2-NE 3.38Å; D519-R611 IonicContact OD2-NH2 3.27Å; D519-R611 PolarHBondContact OD2-NH2 3.02Å; D525-R611 IonicContact OD2-NH2 2.79Å; D525-R611 PolarHBondContact OD2-NH2 3.26Å; G554-R611 CarbonylContact C-O 3.49Å; G554-R611 WeakPolarHBondContact CA-O 3.4Å; T555-R611 PolarHBondContact N-O 3.36Å; L556-R611 PolarHBondContact N-O 3.28Å; V588-R611 WeakPolarHBondContact O-CG 3.35Å; V588-R611 PolarHBondContact O-N 3.39Å; P590-R611 HydrophobicContact CG-CG 4.01Å; R611-I613 HydrophobicContact CB-CG2 4.3Å | ||
| 612 | R | 97.8 | Very high | 83.1 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | trans | -95.6 | 104 | 174.1 | -175.9 | 176.8 | 63.6 | 86.6 | -4.3 | 108.8 | D519 D539 D548 T555 Y615 | D519-R612 WeakPolarHBondContact CA-O 3.34Å; D539-R612 IonicContact OD1-NH1 2.72Å; D539-R612 PolarHBondContact OD1-NH1 3.04Å; D539-R612 IonicContact OD1-NH2 3.78Å; D539-R612 IonicContact OD2-CZ 3.96Å; D539-R612 VanDerWaalsContact OD2-CZ 3.27Å; D539-R612 IonicContact OD2-NH1 3.68Å; D539-R612 PolarHBondContact OD2-NH1 3.35Å; D539-R612 IonicContact OD2-NH2 3.74Å; D539-R612 PolarHBondContact OD2-NH2 2.9Å; D548-R612 IonicContact OD1-CZ 2.86Å; D548-R612 IonicContact OD1-NE 2.62Å; D548-R612 IonicContact OD1-NH2 3.42Å; D548-R612 PolarHBondContact OD1-NH2 2.79Å; D548-R612 IonicContact OD2-CZ 2.75Å; D548-R612 IonicContact OD2-NE 3.45Å; D548-R612 PolarHBondContact OD2-NE 2.95Å; D548-R612 IonicContact OD2-NH2 2.72Å; T555-R612 HydrophobicContact CG2-CG 3.98Å; R612-Y615 VanDerWaalsContact NH1-CD1 3.34Å; R612-Y615 PolarHBondContact O-OH 2.71Å | ||
| 613 | I | 98 | Very high | 85.1 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | trans | -115 | -12.4 | -174.6 | 64.7 | 173.6 | 0 | 0 | 0 | 113 | L516 D519 T555 L556 R611 Y615 | L516-I613 PolarHBondContact N-O 3.26Å; D519-I613 HydrophobicContact CB-CG2 4.19Å; T555-I613 PolarHBondContact OG1-N 3.06Å; L556-I613 HydrophobicContact CB-CD1 4.05Å; L556-I613 HydrophobicContact CB-CG1 4.34Å; L556-I613 HydrophobicContact CD1-CD1 4.31Å; L556-I613 HydrophobicContact CD2-CD1 4.07Å; L556-I613 HydrophobicContact CG-CD1 4.38Å; R611-I613 HydrophobicContact CB-CG2 4.3Å; I613-Y615 VanDerWaalsContact O-CD2 3.24Å; I613-Y615 WeakPolarHBondContact O-CD2 3.45Å; I613-Y615 WeakPolarHBondContact O-CE2 3.46Å | ||
| 614 | D | 98.7 | Very high | 86.5 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.5 | 173.1 | -55.8 | -89 | 0 | 0 | 0 | 109.1 | G514 T555 H646 V649 | G514-D614 WeakPolarHBondContact O-CA 3.32Å; T555-D614 WeakPolarHBondContact CB-OD2 3.44Å; T555-D614 HydrophobicContact CG2-CB 4.17Å; T555-D614 PolarHBondContact OG1-N 3.43Å; T555-D614 VanDerWaalsContact OG1-N 3.14Å; T555-D614 PolarHBondContact OG1-OD2 2.64Å; D614-H646 IonicContact OD1-CE1 3.62Å; D614-H646 IonicContact OD1-ND1 3.31Å; D614-H646 PolarHBondContact OD1-ND1 2.82Å; D614-H646 IonicContact OD2-CE1 3.14Å; D614-H646 IonicContact OD2-CG 3.93Å; D614-H646 IonicContact OD2-ND1 3.47Å; D614-H646 PolarHBondContact OD2-ND1 3.44Å; D614-V649 HydrophobicContact CB-CG2 4.19Å |
| 615 | Y | 98.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.9 | -173.3 | -69.1 | -103.5 | 0 | 0 | 0 | 112 | C513 G514 L516 F518 F534 D539 R612 I613 L617 | C513-Y615 WeakPolarHBondContact CA-O 3.18Å; C513-Y615 VanDerWaalsContact CB-O 3.23Å; C513-Y615 WeakPolarHBondContact CB-O 3.41Å; G514-Y615 PolarHBondContact N-O 2.88Å; G514-Y615 VanDerWaalsContact N-O 3.08Å; G514-Y615 PolarHBondContact O-N 2.84Å; L516-Y615 HydrophobicContact CB-CD2 3.72Å; L516-Y615 HydrophobicContact CB-CE2 3.89Å; L516-Y615 HydrophobicContact CD1-CD1 4.33Å; L516-Y615 HydrophobicContact CD1-CD2 3.44Å; L516-Y615 VanDerWaalsContact CD1-CD2 3.44Å; L516-Y615 HydrophobicContact CD1-CE2 3.98Å; L516-Y615 HydrophobicContact CD1-CG 3.63Å; L516-Y615 HydrophobicContact CG-CD2 3.49Å; L516-Y615 VanDerWaalsContact CG-CD2 3.49Å; L516-Y615 HydrophobicContact CG-CE2 4.14Å; L516-Y615 HydrophobicContact CG-CG 4.06Å; F518-Y615 HydrophobicContact CE2-CE2 4.36Å; F518-Y615 AromaticContact CE2-CZ 3.94Å; F518-Y615 WeakPolarHBondContact CE2-OH 3.41Å; F518-Y615 VanDerWaalsContact O-CE2 3.27Å; F518-Y615 WeakPolarHBondContact O-CE2 3.47Å; F518-Y615 PolarHBondContact O-OH 2.73Å; F534-Y615 HydrophobicContact CE1-CD1 4.15Å; F534-Y615 HydrophobicContact CE1-CE1 4.12Å; F534-Y615 HydrophobicContact CZ-CD1 4.37Å; F534-Y615 HydrophobicContact CZ-CE1 4.05Å; D539-Y615 WeakPolarHBondContact OD2-CD1 3.25Å; D539-Y615 WeakPolarHBondContact OD2-CE1 3.46Å; R612-Y615 VanDerWaalsContact NH1-CD1 3.34Å; R612-Y615 PolarHBondContact O-OH 2.71Å; I613-Y615 VanDerWaalsContact O-CD2 3.24Å; I613-Y615 WeakPolarHBondContact O-CD2 3.45Å; I613-Y615 WeakPolarHBondContact O-CE2 3.46Å; Y615-L617 HydrophobicContact CD1-CD2 4.14Å |
| 616 | M | 98.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 105.9 | 172.2 | -175.5 | 69.1 | 68 | 0 | 0 | 107.5 | F126 V511 C513 P540 F634 V649 M651 | F126-M616 HydrophobicContact CB-CE 4.08Å; F126-M616 HydrophobicContact CB-SD 3.79Å; V511-M616 HydrophobicContact CG1-SD 3.83Å; C513-M616 HydrophobicContact CB-CE 3.74Å; C513-M616 HydrophobicContact CB-SD 3.53Å; C513-M616 VanDerWaalsContact CB-SD 3.53Å; P540-M616 VanDerWaalsContact CD-O 3.27Å; P540-M616 WeakPolarHBondContact CD-O 3.39Å; M616-F634 HydrophobicContact CB-CE2 4.07Å; M616-F634 HydrophobicContact CB-CZ 4.38Å; M616-V649 HydrophobicContact CB-CG1 4.12Å; M616-M651 HydrophobicContact CG-CB 3.48Å; M616-M651 VanDerWaalsContact CG-CB 3.48Å; M616-M651 HydrophobicContact CG-CE 3.7Å; M616-M651 HydrophobicContact CG-CG 4.38Å; M616-M651 HydrophobicContact CG-SD 4.06Å; M616-M651 HydrophobicContact SD-CB 4.5Å; M616-M651 HydrophobicContact SD-CE 4.26Å |
| 617 | L | 98.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 150.3 | -170.2 | -45.6 | 178 | 0 | 0 | 0 | 110.2 | V511 I512 L533 F534 K538 D539 Y615 | V511-L617 VanDerWaalsContact CA-O 3.3Å; V511-L617 WeakPolarHBondContact CA-O 3.05Å; V511-L617 WeakPolarHBondContact CG1-O 3.43Å; I512-L617 HydrophobicContact CB-CB 4.3Å; I512-L617 HydrophobicContact CB-CD1 4.43Å; I512-L617 PolarHBondContact N-O 2.95Å; I512-L617 PolarHBondContact O-N 3.33Å; L533-L617 HydrophobicContact CD2-CD1 4.13Å; F534-L617 HydrophobicContact CD1-CD2 4.49Å; F534-L617 HydrophobicContact CE1-CD1 4.19Å; F534-L617 HydrophobicContact CE1-CD2 4.08Å; K538-L617 WeakPolarHBondContact O-CA 3.4Å; D539-L617 HydrophobicContact CB-CD2 3.52Å; Y615-L617 HydrophobicContact CD1-CD2 4.14Å |
| 618 | Y | 98.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 45 Ų | 45 | 10% | 0.102 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.2 | 174.4 | 72.9 | -74 | 0 | 0 | 0 | 110.6 | D510 Y537 K538 P540 E620 V629 V631 M651 L653 | D510-Y618 WeakPolarHBondContact O-CA 3.33Å; Y537-Y618 CarbonylContact C-O 3.49Å; Y537-Y618 WeakPolarHBondContact CA-O 3.3Å; K538-Y618 HydrophobicContact CB-CD1 4.25Å; K538-Y618 HydrophobicContact CB-CE1 3.79Å; K538-Y618 HydrophobicContact CD-CE2 4.39Å; K538-Y618 PolarHBondContact N-O 3.25Å; K538-Y618 PolarHBondContact O-N 3.4Å; K538-Y618 VanDerWaalsContact O-N 3.12Å; P540-Y618 HydrophobicContact CG-CD1 4.2Å; P540-Y618 HydrophobicContact CG-CE1 4.02Å; Y618-E620 HydrophobicContact CE2-CG 4.02Å; Y618-V629 HydrophobicContact CD2-CG1 4.41Å; Y618-V631 HydrophobicContact CD1-CG2 4.11Å; Y618-V631 HydrophobicContact CE1-CG2 3.53Å; Y618-M651 HydrophobicContact CD1-CE 4.47Å; Y618-M651 HydrophobicContact CD1-SD 4.02Å; Y618-L653 HydrophobicContact CD1-CD2 4.49Å; Y618-L653 HydrophobicContact CD2-CD2 4.31Å; Y618-L653 HydrophobicContact CG-CD2 4.13Å |
| 619 | T | 95.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | trans | -118.2 | 150.4 | 169.8 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | D510 H536 Y537 E621 | D510-T619 HydrophobicContact CB-CG2 3.63Å; D510-T619 PolarHBondContact O-N 2.92Å; D510-T619 VanDerWaalsContact O-N 3.11Å; H536-T619 WeakPolarHBondContact O-CB 3.25Å; H536-T619 PolarHBondContact O-OG1 3.33Å; Y537-T619 HydrophobicContact CD1-CG2 4.13Å; Y537-T619 HydrophobicContact CE1-CG2 3.69Å; T619-E621 WeakPolarHBondContact OG1-CB 3.14Å; T619-E621 PolarHBondContact OG1-N 2.87Å | ||
| 620 | E | 90.8 | Very high | 91.3 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 43% | 0.425 | 23% | 0.226 | S | C | . | . | trans | -97.7 | -7.3 | 167.2 | -68.9 | 164.7 | -156.4 | 0 | 0 | 110.7 | K538 Y618 | K538-E620 IonicContact NZ-OE1 3.94Å; K538-E620 PolarHBondContact NZ-OE1 2.9Å; K538-E620 IonicContact NZ-OE2 3.81Å; K538-E620 PolarHBondContact NZ-OE2 3.45Å; Y618-E620 HydrophobicContact CE2-CG 4.02Å | ||
| 621 | E | 87.8 | Confident | 91.4 | Very high | 104 Ų | 104 | 46.2 Ų | 46.2 | 49% | 0.486 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 134.5 | -176.3 | -59.6 | -176.7 | 171.2 | 0 | 0 | 111.7 | H536 T619 L623 | H536-E621 IonicContact CG-OE2 3.94Å; H536-E621 IonicContact ND1-OE1 3.99Å; H536-E621 IonicContact ND1-OE2 3.07Å; H536-E621 PolarHBondContact ND1-OE2 3.16Å; T619-E621 WeakPolarHBondContact OG1-CB 3.14Å; T619-E621 PolarHBondContact OG1-N 2.87Å; E621-L623 PolarHBondContact O-N 2.93Å |
| 622 | G | 79.5 | Confident | 91.4 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 51% | 0.505 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 13.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R492 | R492-G622 VanDerWaalsContact NH2-C 3.33Å; R492-G622 PolarHBondContact NH2-O 2.99Å |
| 623 | L | 85.1 | Confident | 91.3 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -71.1 | 168.7 | 168.1 | -56.1 | -174.9 | 0 | 0 | 0 | 110.5 | V507 E621 L625 V629 | V507-L623 HydrophobicContact CG1-CD2 3.91Å; E621-L623 PolarHBondContact O-N 2.93Å; L623-L625 PolarHBondContact O-N 2.94Å; L623-V629 HydrophobicContact CD1-CB 3.83Å; L623-V629 HydrophobicContact CD1-CG2 3.29Å |
| 624 | Y | 80.3 | Confident | 91.3 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 27% | 0.271 | 24% | 0.24 | S | C | . | . | trans | -58.5 | 126.5 | 172.6 | -176.2 | -110.5 | 0 | 0 | 0 | 109.9 | L506 V507 E626 W627 | L506-Y624 HydrophobicContact CB-CD2 4.41Å; L506-Y624 HydrophobicContact CB-CG 4.34Å; L506-Y624 HydrophobicContact CD1-CD1 4.38Å; L506-Y624 HydrophobicContact CD1-CD2 4.32Å; L506-Y624 HydrophobicContact CD1-CE1 4.38Å; L506-Y624 HydrophobicContact CD1-CE2 4.3Å; L506-Y624 HydrophobicContact CD1-CG 4.34Å; L506-Y624 HydrophobicContact CD2-CD2 3.52Å; L506-Y624 HydrophobicContact CD2-CE2 3.59Å; L506-Y624 HydrophobicContact CD2-CG 4.23Å; L506-Y624 HydrophobicContact CG-CD2 4.29Å; V507-Y624 PolarHBondContact O-N 2.89Å; V507-Y624 VanDerWaalsContact O-N 3.12Å; Y624-E626 HydrophobicContact CD1-CB 4.15Å; Y624-E626 HydrophobicContact CE1-CB 3.78Å; Y624-E626 HydrophobicContact CE1-CG 4.06Å; Y624-E626 VanDerWaalsContact CE1-OE2 3.31Å; Y624-E626 WeakPolarHBondContact CE1-OE2 3.42Å; Y624-E626 PolarHBondContact O-N 3.38Å; Y624-E626 PolarHBondContact OH-OE2 3.41Å; Y624-W627 AromaticContact CD1-CD1 3.64Å; Y624-W627 AromaticContact CD1-CD2 3.94Å; Y624-W627 HydrophobicContact CD1-CD2 3.94Å; Y624-W627 AromaticContact CD1-CE2 3.8Å; Y624-W627 AromaticContact CD1-CG 3.85Å; Y624-W627 HydrophobicContact CD1-CG 3.85Å; Y624-W627 HydrophobicContact CD1-CZ2 4.48Å; Y624-W627 AromaticContact CD1-NE1 3.59Å; Y624-W627 AromaticContact CE1-NE1 3.95Å; Y624-W627 PolarHBondContact O-N 3.45Å | ||
| 625 | L | 74.4 | Confident | 91.3 | Very high | 175 Ų | 175 | 48.5 Ų | 48.5 | 92% | 0.916 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.9 | -162.8 | -76.8 | 163.5 | 0 | 0 | 0 | 114.9 | L623 | L623-L625 PolarHBondContact O-N 2.94Š|
| 626 | E | 79.2 | Confident | 91.3 | Very high | 132 Ų | 132 | 48.6 Ų | 48.6 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -8.7 | -177.7 | -59.4 | 177.4 | 151.1 | 0 | 0 | 112.7 | Y624 | Y624-E626 HydrophobicContact CD1-CB 4.15Å; Y624-E626 HydrophobicContact CE1-CB 3.78Å; Y624-E626 HydrophobicContact CE1-CG 4.06Å; Y624-E626 VanDerWaalsContact CE1-OE2 3.31Å; Y624-E626 WeakPolarHBondContact CE1-OE2 3.42Å; Y624-E626 PolarHBondContact O-N 3.38Å; Y624-E626 PolarHBondContact OH-OE2 3.41Å |
| 627 | W | 87.6 | Confident | 91.3 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | trans | -97.6 | 135.7 | -176.7 | -66.3 | -0.6 | 0 | 0 | 0 | 111.8 | W115 A117 I458 L506 A508 Y624 V655 S656 T657 | W115-W627 HydrophobicContact CH2-CE3 4.25Å; W115-W627 AromaticContact CH2-CH2 3.97Å; W115-W627 HydrophobicContact CH2-CH2 3.97Å; W115-W627 AromaticContact CH2-CZ3 3.82Å; W115-W627 HydrophobicContact CH2-CZ3 3.82Å; W115-W627 HydrophobicContact CZ3-CH2 4.3Å; W115-W627 HydrophobicContact CZ3-CZ3 4.14Å; A117-W627 HydrophobicContact CB-CZ2 4.09Å; I458-W627 HydrophobicContact CB-CH2 4.3Å; I458-W627 HydrophobicContact CD1-CH2 3.77Å; I458-W627 HydrophobicContact CD1-CZ2 4.42Å; I458-W627 HydrophobicContact CG1-CH2 3.84Å; I458-W627 HydrophobicContact CG2-CH2 3.51Å; I458-W627 HydrophobicContact CG2-CZ3 3.53Å; L506-W627 HydrophobicContact CB-CH2 3.96Å; L506-W627 HydrophobicContact CB-CZ3 4.27Å; L506-W627 HydrophobicContact CD1-CH2 4.1Å; L506-W627 HydrophobicContact CD1-CZ2 3.91Å; A508-W627 HydrophobicContact CB-CE3 4.31Å; A508-W627 HydrophobicContact CB-CZ3 3.88Å; Y624-W627 AromaticContact CD1-CD1 3.64Å; Y624-W627 AromaticContact CD1-CD2 3.94Å; Y624-W627 HydrophobicContact CD1-CD2 3.94Å; Y624-W627 AromaticContact CD1-CE2 3.8Å; Y624-W627 AromaticContact CD1-CG 3.85Å; Y624-W627 HydrophobicContact CD1-CG 3.85Å; Y624-W627 HydrophobicContact CD1-CZ2 4.48Å; Y624-W627 AromaticContact CD1-NE1 3.59Å; Y624-W627 AromaticContact CE1-NE1 3.95Å; Y624-W627 PolarHBondContact O-N 3.45Å; W627-V655 HydrophobicContact CB-CG1 4.15Å; W627-V655 HydrophobicContact CD2-CG1 4.14Å; W627-V655 HydrophobicContact CE3-CG1 3.66Å; W627-V655 HydrophobicContact CG-CG1 4.38Å; W627-V655 HydrophobicContact CZ3-CG1 4.4Å; W627-S656 CarbonylContact C-O 3.33Å; W627-S656 VanDerWaalsContact CA-O 3.23Å; W627-S656 WeakPolarHBondContact CA-O 3.2Å; W627-T657 HydrophobicContact CZ2-CG2 4.44Å | ||
| 628 | K | 90.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 48.6 Ų | 48.6 | 52% | 0.522 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132 | 174.6 | -163.7 | -171.7 | -167.6 | -169.2 | 0 | 109.2 | E630 V655 S656 | K628-E630 HydrophobicContact CD-CG 4.03Å; K628-E630 WeakPolarHBondContact CE-OE1 3.34Å; K628-E630 HydrophobicContact CG-CG 4.09Å; K628-E630 IonicContact NZ-OE1 3.21Å; K628-E630 PolarHBondContact NZ-OE1 3.05Å; K628-V655 WeakPolarHBondContact O-CA 3.4Å; K628-S656 PolarHBondContact N-O 3.14Å; K628-S656 PolarHBondContact O-N 3.12Å |
| 629 | V | 92.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.4 | 174.1 | 179 | 0 | 0 | 0 | 0 | 109.5 | A508 Y618 L623 L653 M654 V655 | A508-V629 VanDerWaalsContact O-CG2 3.29Å; A508-V629 WeakPolarHBondContact O-CG2 3.33Å; Y618-V629 HydrophobicContact CD2-CG1 4.41Å; L623-V629 HydrophobicContact CD1-CB 3.83Å; L623-V629 HydrophobicContact CD1-CG2 3.29Å; V629-L653 HydrophobicContact CG1-CB 4.14Å; V629-L653 HydrophobicContact CG1-CD1 4.04Å; V629-L653 HydrophobicContact CG1-CD2 4.16Å; V629-L653 HydrophobicContact CG1-CG 4.35Å; V629-M654 WeakPolarHBondContact CA-O 3.5Å; V629-V655 HydrophobicContact CG2-CB 4.46Å; V629-V655 HydrophobicContact CG2-CG1 4.2Å; V629-V655 HydrophobicContact CG2-CG2 4.01Å |
| 630 | E | 93.9 | Very high | 91.5 | Very high | 87 Ų | 87 | 47.8 Ų | 47.8 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.1 | 179.7 | -61.1 | -173.2 | 135.5 | 0 | 0 | 110 | K628 E632 L653 M654 | K628-E630 HydrophobicContact CD-CG 4.03Å; K628-E630 WeakPolarHBondContact CE-OE1 3.34Å; K628-E630 HydrophobicContact CG-CG 4.09Å; K628-E630 IonicContact NZ-OE1 3.21Å; K628-E630 PolarHBondContact NZ-OE1 3.05Å; E630-E632 PolarHBondContact O-N 3.18Å; E630-L653 CarbonylContact O-C 3.47Å; E630-L653 WeakPolarHBondContact O-CA 3.42Å; E630-M654 PolarHBondContact N-O 3.06Å; E630-M654 PolarHBondContact O-N 2.72Å |
| 631 | V | 96.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 125.1 | 169.1 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | F350 P540 Y618 M651 L653 | F350-V631 HydrophobicContact CB-CB 4.32Å; F350-V631 HydrophobicContact CB-CG1 4.19Å; F350-V631 WeakPolarHBondContact CB-O 3.11Å; F350-V631 HydrophobicContact CD1-CB 3.94Å; F350-V631 HydrophobicContact CD1-CG1 4.1Å; F350-V631 HydrophobicContact CD2-CB 4.43Å; F350-V631 HydrophobicContact CD2-CG1 3.7Å; F350-V631 HydrophobicContact CE1-CB 4.34Å; F350-V631 HydrophobicContact CE1-CG1 4.39Å; F350-V631 HydrophobicContact CE2-CG1 4.03Å; F350-V631 HydrophobicContact CG-CB 4Å; F350-V631 HydrophobicContact CG-CG1 3.74Å; F350-V631 HydrophobicContact CZ-CG1 4.36Å; P540-V631 HydrophobicContact CG-CG2 4.12Å; Y618-V631 HydrophobicContact CD1-CG2 4.11Å; Y618-V631 HydrophobicContact CE1-CG2 3.53Å; V631-M651 HydrophobicContact CG1-CG 4.2Å; V631-M651 HydrophobicContact CG2-SD 4.24Å; V631-L653 HydrophobicContact CB-CD2 4.49Å; V631-L653 HydrophobicContact CG2-CD2 3.87Å |
| 632 | E | 95.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 23% | 0.234 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -39.5 | 172.3 | -176.1 | -177.9 | -179.4 | 0 | 0 | 110.2 | S123 K168 D351 E630 R652 | S123-E632 WeakPolarHBondContact CB-OE2 3.18Å; S123-E632 PolarHBondContact OG-OE2 2.66Å; K168-E632 IonicContact NZ-OE1 2.92Å; K168-E632 PolarHBondContact NZ-OE1 2.93Å; D351-E632 PolarHBondContact N-O 3.22Å; E630-E632 PolarHBondContact O-N 3.18Å; E632-R652 HydrophobicContact CB-CB 4.32Å; E632-R652 HydrophobicContact CB-CG 4.18Å; E632-R652 PolarHBondContact N-O 3.35Å; E632-R652 WeakPolarHBondContact OE2-CD 3.4Å |
| 633 | E | 96.9 | Very high | 92.9 | Very high | 40 Ų | 40 | 37.4 Ų | 37.4 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 141.4 | -171.5 | -169.5 | -173.1 | 167.6 | 0 | 0 | 110.9 | D351 M651 R652 | D351-E633 CarbonylContact O-C 3.57Å; D351-E633 VanDerWaalsContact O-CA 3.23Å; D351-E633 WeakPolarHBondContact O-CA 3.46Å; E633-M651 CarbonylContact O-C 3.6Å; E633-M651 WeakPolarHBondContact O-CA 3.44Å; E633-R652 HydrophobicContact CB-CB 3.82Å; E633-R652 PolarHBondContact O-N 3.48Å; E633-R652 IonicContact OE2-CZ 3.48Å; E633-R652 IonicContact OE2-NE 3.89Å; E633-R652 PolarHBondContact OE2-NE 3.16Å; E633-R652 VanDerWaalsContact OE2-NE 3.14Å; E633-R652 IonicContact OE2-NH2 3.29Å |
| 634 | F | 98.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.9 | 169.1 | -163.7 | -79.5 | 0 | 0 | 0 | 110.6 | F350 D351 H352 E353 P540 C541 W551 M616 F636 V649 A650 M651 | F350-F634 HydrophobicContact CD2-CB 4.29Å; F350-F634 HydrophobicContact CE2-CB 3.82Å; D351-F634 PolarHBondContact O-N 3.07Å; H352-F634 VanDerWaalsContact CA-O 3.22Å; H352-F634 WeakPolarHBondContact CA-O 3.38Å; E353-F634 PolarHBondContact N-O 3.12Å; P540-F634 HydrophobicContact CB-CD2 3.74Å; P540-F634 HydrophobicContact CB-CE2 4.01Å; P540-F634 HydrophobicContact CB-CG 4.48Å; P540-F634 HydrophobicContact CG-CD2 3.79Å; P540-F634 HydrophobicContact CG-CE2 3.84Å; C541-F634 WeakPolarHBondContact SG-CE1 3.3Å; C541-F634 WeakPolarHBondContact SG-CZ 3.43Å; W551-F634 HydrophobicContact CH2-CB 4.26Å; W551-F634 AromaticContact CH2-CD1 3.93Å; W551-F634 HydrophobicContact CH2-CD1 3.93Å; W551-F634 HydrophobicContact CH2-CG 4.12Å; W551-F634 AromaticContact CZ3-CD1 3.8Å; W551-F634 HydrophobicContact CZ3-CD1 3.8Å; W551-F634 HydrophobicContact CZ3-CE1 4.34Å; W551-F634 HydrophobicContact CZ3-CG 4.4Å; M616-F634 HydrophobicContact CB-CE2 4.07Å; M616-F634 HydrophobicContact CB-CZ 4.38Å; F634-F636 HydrophobicContact CD1-CE2 4.44Å; F634-F636 HydrophobicContact CE1-CE1 4.26Å; F634-F636 HydrophobicContact CE1-CE2 4.24Å; F634-F636 AromaticContact CE1-CZ 3.98Å; F634-F636 HydrophobicContact CE1-CZ 3.98Å; F634-V649 HydrophobicContact CD1-CG1 4.47Å; F634-V649 HydrophobicContact CE1-CG1 3.45Å; F634-V649 VanDerWaalsContact CE1-CG1 3.45Å; F634-V649 HydrophobicContact CE2-CG1 4.09Å; F634-V649 HydrophobicContact CZ-CG1 3.22Å; F634-A650 CarbonylContact C-O 3.49Å; F634-A650 WeakPolarHBondContact CA-O 3.33Å; F634-M651 HydrophobicContact CD2-CB 4.06Å; F634-M651 HydrophobicContact CD2-CG 4.24Å; F634-M651 HydrophobicContact CE2-CB 4.38Å |
| 635 | S | 98.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 141.9 | -177.8 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | E353 V649 A650 | E353-S635 VanDerWaalsContact O-CA 3.25Å; E353-S635 WeakPolarHBondContact O-CA 3.23Å; S635-V649 WeakPolarHBondContact O-CA 3.22Å; S635-A650 PolarHBondContact N-O 3.28Å; S635-A650 PolarHBondContact O-N 3.27Å |
| 636 | F | 98.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125 | 164.6 | -59.7 | -84.9 | 0 | 0 | 0 | 108.5 | E353 I354 S355 W551 A552 I553 T555 F634 V649 | E353-F636 PolarHBondContact O-N 3.24Å; I354-F636 CarbonylContact C-O 3.54Å; I354-F636 VanDerWaalsContact CA-O 3.3Å; I354-F636 WeakPolarHBondContact CA-O 3.27Å; S355-F636 PolarHBondContact N-O 3.47Å; W551-F636 AromaticContact CE3-CE2 3.99Å; W551-F636 HydrophobicContact CE3-CE2 3.99Å; W551-F636 AromaticContact CZ3-CE2 3.75Å; W551-F636 HydrophobicContact CZ3-CE2 3.75Å; W551-F636 HydrophobicContact CZ3-CZ 4.3Å; A552-F636 HydrophobicContact CB-CZ 4.29Å; I553-F636 HydrophobicContact CD1-CB 3.99Å; I553-F636 HydrophobicContact CD1-CD1 4.41Å; I553-F636 HydrophobicContact CD1-CD2 4.28Å; I553-F636 HydrophobicContact CD1-CG 3.99Å; I553-F636 HydrophobicContact CG1-CB 4.17Å; I553-F636 HydrophobicContact CG1-CD1 3.75Å; I553-F636 HydrophobicContact CG1-CD2 3.69Å; I553-F636 HydrophobicContact CG1-CE1 3.99Å; I553-F636 HydrophobicContact CG1-CE2 3.92Å; I553-F636 HydrophobicContact CG1-CG 3.59Å; I553-F636 HydrophobicContact CG1-CZ 4.07Å; I553-F636 WeakPolarHBondContact O-CE1 3.28Å; T555-F636 HydrophobicContact CG2-CD1 3.92Å; T555-F636 HydrophobicContact CG2-CE1 3.91Å; F634-F636 HydrophobicContact CD1-CE2 4.44Å; F634-F636 HydrophobicContact CE1-CE1 4.26Å; F634-F636 HydrophobicContact CE1-CE2 4.24Å; F634-F636 AromaticContact CE1-CZ 3.98Å; F634-F636 HydrophobicContact CE1-CZ 3.98Å; F636-V649 HydrophobicContact CD1-CG2 4.13Å; F636-V649 HydrophobicContact CE1-CG2 4.41Å |
| 637 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.4 | -165.9 | -61.3 | 157 | 0 | 0 | 0 | 110.2 | S355 F358 Q639 P648 A650 | S355-I637 CarbonylContact O-C 3.55Å; S355-I637 VanDerWaalsContact O-CA 3.3Å; S355-I637 WeakPolarHBondContact O-CA 3.46Å; F358-I637 HydrophobicContact CD1-CD1 3.65Å; F358-I637 HydrophobicContact CD2-CG2 3.91Å; F358-I637 HydrophobicContact CE1-CD1 3.88Å; F358-I637 HydrophobicContact CE2-CG2 4.03Å; F358-I637 HydrophobicContact CG-CD1 4.09Å; F358-I637 HydrophobicContact CG-CG2 4.27Å; F358-I637 HydrophobicContact CZ-CD1 4.49Å; I637-Q639 HydrophobicContact CG2-CB 3.75Å; I637-P648 HydrophobicContact CB-CB 3.96Å; I637-P648 HydrophobicContact CB-CG 4.36Å; I637-P648 HydrophobicContact CD1-CB 4.02Å; I637-P648 HydrophobicContact CG2-CB 4.44Å; I637-P648 HydrophobicContact CG2-CG 4.46Å; I637-P648 PolarHBondContact N-O 3.02Å; I637-P648 VanDerWaalsContact O-CD 3.31Å; I637-P648 WeakPolarHBondContact O-CD 3.48Å; I637-A650 HydrophobicContact CD1-CB 3.72Å |
| 638 | T | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | trans | -105.4 | 5.2 | 177.2 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | I354 S355 A356 P570 L573 Q574 L577 L640 A641 L647 | I354-T638 HydrophobicContact CG2-CG2 3.78Å; S355-T638 PolarHBondContact O-N 2.91Å; S355-T638 PolarHBondContact O-OG1 3.08Å; A356-T638 WeakPolarHBondContact CA-OG1 3.45Å; P570-T638 WeakPolarHBondContact CA-O 3.12Å; P570-T638 PolarHBondContact O-OG1 3.25Å; L573-T638 HydrophobicContact CB-CG2 4.22Å; L573-T638 HydrophobicContact CD2-CG2 4.03Å; L573-T638 HydrophobicContact CG-CG2 3.76Å; Q574-T638 HydrophobicContact CB-CG2 4.39Å; L577-T638 HydrophobicContact CD1-CG2 3.88Å; T638-L640 PolarHBondContact O-N 2.81Å; T638-A641 VanDerWaalsContact O-CB 3.32Å; T638-A641 WeakPolarHBondContact O-CB 3.4Å; T638-A641 PolarHBondContact O-N 3.26Å; T638-L647 HydrophobicContact CG2-CD2 4.26Å | ||
| 639 | Q | 98.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 12.7 Ų | 12.7 | 6% | 0.056 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.4 | -176.7 | -154.8 | 176.5 | 4.3 | 0 | 0 | 113.4 | R157 A356 F358 I637 A641 | R157-Q639 HydrophobicContact CB-CG 4.23Å; R157-Q639 WeakPolarHBondContact CD-O 3.33Å; R157-Q639 PolarHBondContact NH1-O 3.04Å; R157-Q639 PolarHBondContact O-NE2 3.5Å; R157-Q639 PolarHBondContact O-OE1 3.16Å; A356-Q639 WeakPolarHBondContact O-CA 3.4Å; A356-Q639 VanDerWaalsContact O-CB 3.3Å; A356-Q639 WeakPolarHBondContact O-CB 3.27Å; A356-Q639 WeakPolarHBondContact O-CG 3.4Å; F358-Q639 HydrophobicContact CD2-CB 4.12Å; F358-Q639 VanDerWaalsContact CD2-OE1 3.31Å; F358-Q639 HydrophobicContact CE2-CB 4.44Å; I637-Q639 HydrophobicContact CG2-CB 3.75Å; Q639-A641 VanDerWaalsContact C-N 3.34Å |
| 640 | L | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 17 | 177.7 | -53.6 | -171.3 | 0 | 0 | 0 | 114 | A129 V131 I154 R157 I158 F358 T638 G642 L643 T644 P648 | A129-L640 HydrophobicContact CB-CD1 4.5Å; V131-L640 HydrophobicContact CG1-CD1 4.33Å; I154-L640 HydrophobicContact CB-CD2 4.49Å; I154-L640 HydrophobicContact CG1-CD2 4.37Å; I154-L640 HydrophobicContact CG2-CD1 4.13Å; I154-L640 HydrophobicContact CG2-CD2 4.21Å; R157-L640 HydrophobicContact CB-CD2 4.08Å; I158-L640 HydrophobicContact CG1-CD2 4.39Å; F358-L640 HydrophobicContact CE2-CD1 4.18Å; F358-L640 HydrophobicContact CE2-CD2 4.01Å; F358-L640 HydrophobicContact CE2-CG 3.89Å; F358-L640 HydrophobicContact CZ-CD1 4.22Å; F358-L640 HydrophobicContact CZ-CG 4.39Å; T638-L640 PolarHBondContact O-N 2.81Å; L640-G642 PolarHBondContact O-N 3.47Å; L640-L643 HydrophobicContact CD2-CD1 4.46Å; L640-L643 WeakPolarHBondContact O-CA 3.41Å; L640-L643 VanDerWaalsContact O-CB 3.32Å; L640-L643 WeakPolarHBondContact O-CB 3.3Å; L640-L643 PolarHBondContact O-N 3.5Å; L640-T644 HydrophobicContact CB-CG2 3.86Å; L640-T644 HydrophobicContact CD1-CG2 4.18Å; L640-P648 HydrophobicContact CB-CG 4.47Å; L640-P648 HydrophobicContact CD1-CG 3.64Å; L640-P648 HydrophobicContact CG-CG 3.94Å |
| 641 | A | 97.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 8.5 Ų | 8.5 | 3% | 0.025 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 129.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R157 L573 T638 Q639 L643 | R157-A641 PolarHBondContact NH1-O 2.86Å; R157-A641 VanDerWaalsContact NH1-O 3.08Å; L573-A641 HydrophobicContact CB-CB 4.16Å; L573-A641 HydrophobicContact CD2-CB 3.78Å; T638-A641 VanDerWaalsContact O-CB 3.32Å; T638-A641 WeakPolarHBondContact O-CB 3.4Å; T638-A641 PolarHBondContact O-N 3.26Å; Q639-A641 VanDerWaalsContact C-N 3.34Å; A641-L643 PolarHBondContact O-N 3.4Å |
| 642 | G | 94.2 | Very high | 97.8 | Very high | 15 Ų | 15 | 8.4 Ų | 8.4 | 16% | 0.155 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -0.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L640 | L640-G642 PolarHBondContact O-N 3.47Š|
| 643 | L | 96.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 6.1 Ų | 6.1 | 4% | 0.037 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -10.4 | -175.1 | -55.7 | 176.2 | 0 | 0 | 0 | 114.1 | R150 E153 I154 R157 L640 A641 | R150-L643 HydrophobicContact CG-CD2 4.21Å; R150-L643 PolarHBondContact NE-O 3.18Å; R150-L643 PolarHBondContact NH2-O 2.89Å; E153-L643 HydrophobicContact CB-CD1 4.42Å; E153-L643 HydrophobicContact CG-CD1 3.62Å; E153-L643 HydrophobicContact CG-CD2 4.02Å; E153-L643 HydrophobicContact CG-CG 4.49Å; I154-L643 HydrophobicContact CD1-CB 4.23Å; I154-L643 HydrophobicContact CG1-CB 3.91Å; I154-L643 HydrophobicContact CG1-CD1 3.9Å; R157-L643 VanDerWaalsContact CZ-CD1 3.48Å; L640-L643 HydrophobicContact CD2-CD1 4.46Å; L640-L643 WeakPolarHBondContact O-CA 3.41Å; L640-L643 VanDerWaalsContact O-CB 3.32Å; L640-L643 WeakPolarHBondContact O-CB 3.3Å; L640-L643 PolarHBondContact O-N 3.5Å; A641-L643 PolarHBondContact O-N 3.4Å |
| 644 | T | 97 | Very high | 97.8 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | trans | -161.9 | 159.6 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | N130 L562 L640 H646 | N130-T644 PolarHBondContact O-OG1 3.26Å; L562-T644 WeakPolarHBondContact CD1-O 3.3Å; L640-T644 HydrophobicContact CB-CG2 3.86Å; L640-T644 HydrophobicContact CD1-CG2 4.18Å; T644-H646 VanDerWaalsContact C-N 3.33Å; T644-H646 WeakPolarHBondContact CG2-O 2.97Å | ||
| 645 | D | 96.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 6.5 Ų | 6.5 | 4% | 0.043 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -91.7 | 8.3 | 175.1 | 60 | -24.8 | 0 | 0 | 0 | 113 | C132 N142 L557 | C132-D645 PolarHBondContact SG-OD1 3.2Å; N142-D645 PolarHBondContact ND2-OD2 2.94Å; L557-D645 VanDerWaalsContact CB-O 3.29Å; L557-D645 WeakPolarHBondContact CB-O 3.19Å; L557-D645 PolarHBondContact N-O 3.05Å |
| 646 | H | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 7.5 Ų | 7.5 | 4% | 0.042 | 4% | 0.044 | C | C | . | . | B | Isolated β-bridge | trans | -114.5 | 146.1 | 172.3 | -73.5 | -118.9 | 0 | 0 | 0 | 112.9 | N130 D515 T555 D614 T644 P648 | N130-H646 HydrophobicContact CB-CB 3.91Å; D515-H646 IonicContact OD2-CE1 2.83Å; D515-H646 PolarHBondContact OD2-CE1 3.04Å; D515-H646 VanDerWaalsContact OD2-CE1 3.28Å; D515-H646 IonicContact OD2-NE2 3.65Å; T555-H646 CarbonylContact O-C 3.46Å; T555-H646 WeakPolarHBondContact O-CA 3.24Å; D614-H646 IonicContact OD1-CE1 3.62Å; D614-H646 IonicContact OD1-ND1 3.31Å; D614-H646 PolarHBondContact OD1-ND1 2.82Å; D614-H646 IonicContact OD2-CE1 3.14Å; D614-H646 IonicContact OD2-CG 3.93Å; D614-H646 IonicContact OD2-ND1 3.47Å; D614-H646 PolarHBondContact OD2-ND1 3.44Å; T644-H646 VanDerWaalsContact C-N 3.33Å; T644-H646 WeakPolarHBondContact CG2-O 2.97Å; H646-P648 WeakPolarHBondContact O-CD 3.41Å |
| 647 | L | 98.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 2% | 0.016 | 5% | 0.049 | C | C | . | . | trans | -84.1 | 121.4 | 166.3 | -62.1 | -179.9 | 0 | 0 | 0 | 109.5 | I553 T555 L557 L573 L577 L587 T638 | I553-L647 HydrophobicContact CD1-CD1 3.91Å; T555-L647 PolarHBondContact O-N 3.18Å; L557-L647 HydrophobicContact CD1-CD2 4.11Å; L557-L647 HydrophobicContact CD2-CD2 4.14Å; L557-L647 HydrophobicContact CD2-CG 4.4Å; L557-L647 HydrophobicContact CG-CD2 4.28Å; L557-L647 HydrophobicContact CG-CG 4.37Å; L573-L647 HydrophobicContact CD2-CD2 4Å; L577-L647 HydrophobicContact CD1-CD1 3.55Å; L577-L647 HydrophobicContact CD1-CD2 4.01Å; L577-L647 HydrophobicContact CD1-CG 4.42Å; L587-L647 HydrophobicContact CD2-CD1 4.23Å; T638-L647 HydrophobicContact CG2-CD2 4.26Å | ||
| 648 | P | 98.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | trans | -57.6 | 149.1 | 166.4 | -20.1 | 27.3 | 0 | 0 | 0 | 111.8 | S128 A129 F358 I637 L640 H646 | S128-P648 CarbonylContact O-C 3.51Å; S128-P648 WeakPolarHBondContact O-CA 3.39Å; S128-P648 WeakPolarHBondContact O-CB 3.44Å; A129-P648 HydrophobicContact CB-CB 3.71Å; A129-P648 HydrophobicContact CB-CG 3.72Å; F358-P648 HydrophobicContact CE1-CB 3.81Å; F358-P648 HydrophobicContact CE1-CG 4.34Å; F358-P648 HydrophobicContact CE2-CB 4.35Å; F358-P648 HydrophobicContact CE2-CG 4.05Å; F358-P648 HydrophobicContact CZ-CB 3.49Å; F358-P648 VanDerWaalsContact CZ-CB 3.49Å; F358-P648 HydrophobicContact CZ-CG 3.51Å; I637-P648 HydrophobicContact CB-CB 3.96Å; I637-P648 HydrophobicContact CB-CG 4.36Å; I637-P648 HydrophobicContact CD1-CB 4.02Å; I637-P648 HydrophobicContact CG2-CB 4.44Å; I637-P648 HydrophobicContact CG2-CG 4.46Å; I637-P648 PolarHBondContact N-O 3.02Å; I637-P648 VanDerWaalsContact O-CD 3.31Å; I637-P648 WeakPolarHBondContact O-CD 3.48Å; L640-P648 HydrophobicContact CB-CG 4.47Å; L640-P648 HydrophobicContact CD1-CG 3.64Å; L640-P648 HydrophobicContact CG-CG 3.94Å; H646-P648 WeakPolarHBondContact O-CD 3.41Å | ||
| 649 | V | 98.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.5 | 178 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | G127 S128 T555 D614 M616 F634 S635 F636 | G127-V649 CarbonylContact C-O 3.54Å; G127-V649 WeakPolarHBondContact CA-O 3.28Å; S128-V649 PolarHBondContact N-O 3.44Å; S128-V649 PolarHBondContact O-N 3.46Å; T555-V649 HydrophobicContact CG2-CG2 3.67Å; D614-V649 HydrophobicContact CB-CG2 4.19Å; M616-V649 HydrophobicContact CB-CG1 4.12Å; F634-V649 HydrophobicContact CD1-CG1 4.47Å; F634-V649 HydrophobicContact CE1-CG1 3.45Å; F634-V649 VanDerWaalsContact CE1-CG1 3.45Å; F634-V649 HydrophobicContact CE2-CG1 4.09Å; F634-V649 HydrophobicContact CZ-CG1 3.22Å; S635-V649 WeakPolarHBondContact O-CA 3.22Å; F636-V649 HydrophobicContact CD1-CG2 4.13Å; F636-V649 HydrophobicContact CE1-CG2 4.41Å |
| 650 | A | 98.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F126 P359 F634 S635 I637 | F126-A650 CarbonylContact O-C 3.52Å; F126-A650 WeakPolarHBondContact O-CA 3.49Å; F126-A650 WeakPolarHBondContact O-CB 3.36Å; P359-A650 HydrophobicContact CG-CB 3.73Å; F634-A650 CarbonylContact C-O 3.49Å; F634-A650 WeakPolarHBondContact CA-O 3.33Å; S635-A650 PolarHBondContact N-O 3.28Å; S635-A650 PolarHBondContact O-N 3.27Å; I637-A650 HydrophobicContact CD1-CB 3.72Å |
| 651 | M | 98.5 | Very high | 87 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.2 | 179.5 | 179 | 176.2 | 68.6 | 0 | 0 | 109.5 | F126 V511 P540 M616 Y618 V631 E633 F634 L653 | F126-M651 PolarHBondContact N-O 2.96Å; F126-M651 PolarHBondContact O-N 2.86Å; V511-M651 HydrophobicContact CG1-CE 4.26Å; V511-M651 HydrophobicContact CG2-CE 4.21Å; P540-M651 HydrophobicContact CG-SD 3.76Å; M616-M651 HydrophobicContact CG-CB 3.48Å; M616-M651 VanDerWaalsContact CG-CB 3.48Å; M616-M651 HydrophobicContact CG-CE 3.7Å; M616-M651 HydrophobicContact CG-CG 4.38Å; M616-M651 HydrophobicContact CG-SD 4.06Å; M616-M651 HydrophobicContact SD-CB 4.5Å; M616-M651 HydrophobicContact SD-CE 4.26Å; Y618-M651 HydrophobicContact CD1-CE 4.47Å; Y618-M651 HydrophobicContact CD1-SD 4.02Å; V631-M651 HydrophobicContact CG1-CG 4.2Å; V631-M651 HydrophobicContact CG2-SD 4.24Å; E633-M651 CarbonylContact O-C 3.6Å; E633-M651 WeakPolarHBondContact O-CA 3.44Å; F634-M651 HydrophobicContact CD2-CB 4.06Å; F634-M651 HydrophobicContact CD2-CG 4.24Å; F634-M651 HydrophobicContact CE2-CB 4.38Å; M651-L653 HydrophobicContact CE-CD1 3.94Å; M651-L653 HydrophobicContact CE-CD2 3.94Å; M651-L653 HydrophobicContact CE-CG 3.91Å; M651-L653 HydrophobicContact CG-CD2 4.09Å; M651-L653 HydrophobicContact CG-CG 4.38Å; M651-L653 HydrophobicContact SD-CD2 3.86Å; M651-L653 HydrophobicContact SD-CG 4.4Å |
| 652 | R | 98.1 | Very high | 84.1 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.038 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.2 | 170.4 | -170.4 | 179 | -62 | -76.3 | -2.9 | 109 | F124 A360 E632 E633 | F124-R652 CarbonylContact O-C 2.93Å; F124-R652 VanDerWaalsContact O-CA 3.31Å; F124-R652 WeakPolarHBondContact O-CA 3.31Å; A360-R652 PolarHBondContact O-NH2 3.06Å; E632-R652 HydrophobicContact CB-CB 4.32Å; E632-R652 HydrophobicContact CB-CG 4.18Å; E632-R652 PolarHBondContact N-O 3.35Å; E632-R652 WeakPolarHBondContact OE2-CD 3.4Å; E633-R652 HydrophobicContact CB-CB 3.82Å; E633-R652 PolarHBondContact O-N 3.48Å; E633-R652 IonicContact OE2-CZ 3.48Å; E633-R652 IonicContact OE2-NE 3.89Å; E633-R652 PolarHBondContact OE2-NE 3.16Å; E633-R652 VanDerWaalsContact OE2-NE 3.14Å; E633-R652 IonicContact OE2-NH2 3.29Å |
| 653 | L | 97 | Very high | 83.6 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.1 | 175 | -64.7 | -179.1 | 0 | 0 | 0 | 109.7 | S123 F124 F126 F509 V511 Y618 V629 E630 V631 M651 | S123-L653 CarbonylContact C-O 3.59Å; S123-L653 VanDerWaalsContact CA-O 3.23Å; S123-L653 WeakPolarHBondContact CA-O 3.47Å; F124-L653 PolarHBondContact N-O 3.38Å; F124-L653 PolarHBondContact O-N 3.33Å; F126-L653 HydrophobicContact CD2-CD1 4.44Å; F126-L653 HydrophobicContact CD2-CG 4.37Å; F126-L653 HydrophobicContact CE2-CB 4.13Å; F126-L653 HydrophobicContact CE2-CD1 3.8Å; F126-L653 HydrophobicContact CE2-CG 3.96Å; F126-L653 HydrophobicContact CZ-CD1 4.38Å; F509-L653 HydrophobicContact CB-CD1 4.24Å; V511-L653 HydrophobicContact CG2-CD1 3.74Å; Y618-L653 HydrophobicContact CD1-CD2 4.49Å; Y618-L653 HydrophobicContact CD2-CD2 4.31Å; Y618-L653 HydrophobicContact CG-CD2 4.13Å; V629-L653 HydrophobicContact CG1-CB 4.14Å; V629-L653 HydrophobicContact CG1-CD1 4.04Å; V629-L653 HydrophobicContact CG1-CD2 4.16Å; V629-L653 HydrophobicContact CG1-CG 4.35Å; E630-L653 CarbonylContact O-C 3.47Å; E630-L653 WeakPolarHBondContact O-CA 3.42Å; V631-L653 HydrophobicContact CB-CD2 4.49Å; V631-L653 HydrophobicContact CG2-CD2 3.87Å; M651-L653 HydrophobicContact CE-CD1 3.94Å; M651-L653 HydrophobicContact CE-CD2 3.94Å; M651-L653 HydrophobicContact CE-CG 3.91Å; M651-L653 HydrophobicContact CG-CD2 4.09Å; M651-L653 HydrophobicContact CG-CG 4.38Å; M651-L653 HydrophobicContact SD-CD2 3.86Å; M651-L653 HydrophobicContact SD-CG 4.4Å |
| 654 | M | 94.5 | Very high | 82.9 | Confident | 51 Ų | 51 | 44.1 Ų | 44.1 | 25% | 0.251 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.3 | 167.1 | 177.2 | 61.1 | 76 | 0 | 0 | 108.9 | S123 V629 E630 | S123-M654 WeakPolarHBondContact OG-CE 3.24Å; V629-M654 WeakPolarHBondContact CA-O 3.5Å; E630-M654 PolarHBondContact N-O 3.06Å; E630-M654 PolarHBondContact O-N 2.72Å |
| 655 | V | 93.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 107.2 | 171.8 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | W115 G121 K122 F124 A508 W627 K628 V629 | W115-V655 HydrophobicContact CH2-CB 4.07Å; W115-V655 HydrophobicContact CH2-CG1 3.83Å; G121-V655 CarbonylContact C-O 3.59Å; G121-V655 WeakPolarHBondContact CA-O 3.31Å; K122-V655 PolarHBondContact N-O 3.16Å; K122-V655 PolarHBondContact O-N 2.66Å; F124-V655 HydrophobicContact CD2-CG2 3.77Å; F124-V655 HydrophobicContact CE2-CB 4.4Å; F124-V655 HydrophobicContact CE2-CG2 3.87Å; A508-V655 HydrophobicContact CB-CG1 4.41Å; A508-V655 HydrophobicContact CB-CG2 4.42Å; A508-V655 WeakPolarHBondContact O-CG2 3.49Å; W627-V655 HydrophobicContact CB-CG1 4.15Å; W627-V655 HydrophobicContact CD2-CG1 4.14Å; W627-V655 HydrophobicContact CE3-CG1 3.66Å; W627-V655 HydrophobicContact CG-CG1 4.38Å; W627-V655 HydrophobicContact CZ3-CG1 4.4Å; K628-V655 WeakPolarHBondContact O-CA 3.4Å; V629-V655 HydrophobicContact CG2-CB 4.46Å; V629-V655 HydrophobicContact CG2-CG1 4.2Å; V629-V655 HydrophobicContact CG2-CG2 4.01Å |
| 656 | S | 89.3 | Confident | 81.3 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 143.8 | 179.4 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | W627 K628 | W627-S656 CarbonylContact C-O 3.33Å; W627-S656 VanDerWaalsContact CA-O 3.23Å; W627-S656 WeakPolarHBondContact CA-O 3.2Å; K628-S656 PolarHBondContact N-O 3.14Å; K628-S656 PolarHBondContact O-N 3.12Å |
| 657 | T | 80.7 | Confident | 80.2 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | trans | -93.5 | 2.6 | -171.8 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | W115 A117 G119 W627 | W115-T657 HydrophobicContact CZ2-CG2 4.39Å; A117-T657 HydrophobicContact CB-CG2 4.44Å; G119-T657 PolarHBondContact O-OG1 3.42Å; W627-T657 HydrophobicContact CZ2-CG2 4.44Å | ||
| 658 | G | 64.6 | Low | 79 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 82.4 | 5.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | D660 | G658-D660 PolarHBondContact O-N 3.49Š|
| 659 | E | 56.7 | Low | 77.5 | Confident | 161 Ų | 161 | 58.2 Ų | 58.2 | 75% | 0.752 | 34% | 0.343 | S | S | * | . | trans | -79.6 | 33.6 | 176.9 | -67.7 | -169.7 | 156.4 | 0 | 0 | 114.5 | ||||
| 660 | D | 45.8 | Very low | 75.9 | Confident | 124 Ų | 124 | 62.6 Ų | 62.6 | 66% | 0.663 | 37% | 0.368 | S | S | * | . | trans | -102 | 73.2 | 171.4 | -78.7 | -36 | 0 | 0 | 0 | 109.9 | G658 | G658-D660 PolarHBondContact O-N 3.49Š| ||
| 661 | D | 32.1 | Very low | 74 | Confident | 160 Ų | 160 | 67.7 Ų | 67.7 | 86% | 0.856 | 40% | 0.398 | S | S | * | . | trans | -165.6 | 104.8 | 155.1 | -103.3 | -18.7 | 0 | 0 | 0 | 110.8 | ||||
| 662 | P | 36.9 | Very low | 71.8 | Confident | 200 Ų | 200 | 73.6 Ų | 73.6 | 100% | 1.299 | 43% | 0.433 | S | S | * | . | trans | -85 | 0 | 159.8 | 30.9 | -30.7 | 0 | 0 | 0 | 114 |
Retrieved 662 of 662 residues in 272 ms
(Link to these results)