| 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 | 33.3 | Very low | 49 | Very low | 226 Ų | 226 | 79.4 Ų | 79.4 | 100% | 1.113 | 45% | 0.454 | S | S | * | . | 0 | 92.9 | 0 | -72.5 | -176 | -177.5 | 0 | 0 | 105.6 | |||||
| 2 | S | 32 | Very low | 50.2 | Low | 116 Ų | 116 | 77.7 Ų | 77.7 | 81% | 0.811 | 45% | 0.448 | S | S | * | . | trans | -136.1 | 25.4 | -171.1 | -33.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3 | G | 36.9 | Very low | 51.3 | Low | 48 Ų | 48 | 72.9 Ų | 72.9 | 50% | 0.495 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -89.5 | 136.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 4 | N | 52.7 | Low | 52.3 | Low | 44 Ų | 44 | 68.7 Ų | 68.7 | 24% | 0.235 | 40% | 0.396 | C | S | . | . | trans | 84.1 | 18 | 156.4 | -67 | 6.8 | 0 | 0 | 0 | 120.5 | G6 M7 E8 | N4-G6 VanDerWaalsContact C-N 3.29Å; N4-G6 PolarHBondContact O-N 3.4Å; N4-G6 VanDerWaalsContact O-N 3.15Å; N4-M7 HydrophobicContact CB-CB 3.7Å; N4-M7 HydrophobicContact CB-CG 4.05Å; N4-M7 HydrophobicContact CB-SD 4.1Å; N4-M7 PolarHBondContact ND2-SD 3.42Å; N4-M7 WeakPolarHBondContact O-CA 3.15Å; N4-M7 VanDerWaalsContact O-CB 3.32Å; N4-M7 WeakPolarHBondContact O-CB 3.47Å; N4-M7 PolarHBondContact O-N 2.98Å; N4-M7 WeakPolarHBondContact OD1-CE 3.18Å; N4-M7 PolarHBondContact OD1-SD 3.29Å; N4-E8 WeakPolarHBondContact O-CG 3.38Å; N4-E8 PolarHBondContact O-N 2.93Å | ||
| 5 | I | 50.6 | Low | 53.1 | Low | 119 Ų | 119 | 67.1 Ų | 67.1 | 61% | 0.61 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -53.6 | -41.8 | 177.5 | -60.2 | 171.4 | 0 | 0 | 0 | 113.1 | ||
| 6 | G | 49.7 | Very low | 54 | Low | 39 Ų | 39 | 70.8 Ų | 70.8 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.6 | -28.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | N4 | N4-G6 VanDerWaalsContact C-N 3.29Å; N4-G6 PolarHBondContact O-N 3.4Å; N4-G6 VanDerWaalsContact O-N 3.15Å |
| 7 | M | 51.8 | Low | 54.7 | Low | 12 Ų | 12 | 66.9 Ų | 66.9 | 6% | 0.059 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.8 | -39.6 | 177.4 | -71.5 | -161 | -147.6 | 0 | 0 | 111.4 | N4 Q9 L10 I11 L131 Q279 N283 | N4-M7 HydrophobicContact CB-CB 3.7Å; N4-M7 HydrophobicContact CB-CG 4.05Å; N4-M7 HydrophobicContact CB-SD 4.1Å; N4-M7 PolarHBondContact ND2-SD 3.42Å; N4-M7 WeakPolarHBondContact O-CA 3.15Å; N4-M7 VanDerWaalsContact O-CB 3.32Å; N4-M7 WeakPolarHBondContact O-CB 3.47Å; N4-M7 PolarHBondContact O-N 2.98Å; N4-M7 WeakPolarHBondContact OD1-CE 3.18Å; N4-M7 PolarHBondContact OD1-SD 3.29Å; M7-Q9 PolarHBondContact O-N 3.31Å; M7-L10 PolarHBondContact O-N 3.44Å; M7-I11 WeakPolarHBondContact O-CG1 3.47Å; M7-I11 PolarHBondContact O-N 3.05Å; M7-L131 HydrophobicContact CB-CD1 4.1Å; M7-L131 HydrophobicContact CB-CD2 3.43Å; M7-L131 VanDerWaalsContact CB-CD2 3.43Å; M7-L131 HydrophobicContact CB-CG 3.83Å; M7-L131 HydrophobicContact CE-CD1 4.41Å; M7-L131 HydrophobicContact CG-CD1 3.53Å; M7-L131 HydrophobicContact CG-CD2 3.85Å; M7-L131 HydrophobicContact CG-CG 3.74Å; M7-L131 HydrophobicContact SD-CB 4.49Å; M7-L131 HydrophobicContact SD-CD1 3.17Å; M7-L131 WeakPolarHBondContact SD-CD1 3.28Å; M7-L131 HydrophobicContact SD-CD2 4.04Å; M7-L131 HydrophobicContact SD-CG 3.27Å; M7-L131 WeakPolarHBondContact SD-CG 3.47Å; M7-Q279 HydrophobicContact CE-CB 4.12Å; M7-Q279 VanDerWaalsContact CE-O 3.32Å; M7-Q279 WeakPolarHBondContact CE-O 3.26Å; M7-N283 HydrophobicContact CE-CB 3.55Å; M7-N283 HydrophobicContact CG-CB 3.61Å; M7-N283 WeakPolarHBondContact CG-ND2 3.31Å; M7-N283 WeakPolarHBondContact CG-OD1 3.49Å; M7-N283 PolarHBondContact N-ND2 2.95Å; M7-N283 HydrophobicContact SD-CB 4.07Å |
| 8 | E | 53.6 | Low | 55.3 | Low | 128 Ų | 128 | 67.1 Ų | 67.1 | 60% | 0.598 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.2 | -28.5 | -179.9 | -74.6 | 176.2 | 179.2 | 0 | 0 | 112.8 | N4 P12 | N4-E8 WeakPolarHBondContact O-CG 3.38Å; N4-E8 PolarHBondContact O-N 2.93Å; E8-P12 WeakPolarHBondContact O-CD 3.33Å |
| 9 | Q | 57.5 | Low | 55.9 | Low | 114 Ų | 114 | 69.3 Ų | 69.3 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -84.6 | -30.1 | 178.3 | -64.9 | -176.8 | 0.3 | 0 | 0 | 113.2 | M7 P12 L13 | M7-Q9 PolarHBondContact O-N 3.31Å; Q9-P12 WeakPolarHBondContact O-CD 3.5Å; Q9-L13 WeakPolarHBondContact O-CD1 3.46Å; Q9-L13 WeakPolarHBondContact O-CG 3.29Å |
| 10 | L | 62.6 | Low | 56.5 | Low | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.1 | -38.4 | -174.8 | -160.3 | 85.6 | 0 | 0 | 0 | 112.3 | M7 L13 V14 L286 T287 I290 T740 | M7-L10 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 3.13Å; L10-V14 HydrophobicContact CG-CG2 4.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.36Å; L10-V14 PolarHBondContact O-N 3.41Å; L10-L286 HydrophobicContact CD2-CD2 4.15Å; L10-L286 HydrophobicContact CD2-CG 4.16Å; L10-T287 HydrophobicContact CD1-CG2 4Å; L10-I290 HydrophobicContact CD1-CD1 4.45Å; L10-I290 HydrophobicContact CD2-CD1 3.73Å; L10-I290 HydrophobicContact CG-CD1 4.2Å; L10-T740 HydrophobicContact CD1-CG2 4.03Å |
| 11 | I | 58.6 | Low | 56.9 | Low | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.5 | -51.7 | -176.9 | -60.1 | 155.8 | 0 | 0 | 0 | 112.4 | M7 L13 V14 N15 N76 L131 | M7-I11 WeakPolarHBondContact O-CG1 3.47Å; M7-I11 PolarHBondContact O-N 3.05Å; I11-L13 PolarHBondContact O-N 3.07Å; I11-V14 PolarHBondContact O-N 3.4Å; I11-N15 WeakPolarHBondContact O-CB 3.44Å; I11-N15 VanDerWaalsContact O-CG 3.25Å; I11-N15 PolarHBondContact O-N 3.45Å; I11-N76 HydrophobicContact CD1-CB 3.92Å; I11-N76 VanDerWaalsContact CD1-ND2 3.35Å; I11-N76 WeakPolarHBondContact CD1-ND2 3.35Å; I11-N76 HydrophobicContact CG2-CB 3.93Å; I11-L131 HydrophobicContact CD1-CD2 3.37Å; I11-L131 HydrophobicContact CD1-CG 4.47Å; I11-L131 HydrophobicContact CG1-CD2 3.18Å; I11-L131 HydrophobicContact CG1-CG 4.49Å |
| 12 | P | 63.5 | Low | 58.5 | Low | 59 Ų | 59 | 56.8 Ų | 56.8 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -32.9 | -177.1 | -20.6 | 34.4 | 0 | 0 | 0 | 111.6 | E8 Q9 R16 | E8-P12 WeakPolarHBondContact O-CD 3.33Å; Q9-P12 WeakPolarHBondContact O-CD 3.5Å; P12-R16 WeakPolarHBondContact O-CB 3.48Å; P12-R16 VanDerWaalsContact O-CG 3.26Å; P12-R16 WeakPolarHBondContact O-CG 3.36Å; P12-R16 PolarHBondContact O-N 2.64Å |
| 13 | L | 64.8 | Low | 60 | Low | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.5 | -46.8 | 179.8 | -72.1 | 174.2 | 0 | 0 | 0 | 112.3 | Q9 L10 I11 N15 R16 L17 V736 S739 | Q9-L13 WeakPolarHBondContact O-CD1 3.46Å; Q9-L13 WeakPolarHBondContact O-CG 3.29Å; L10-L13 PolarHBondContact O-N 3.13Å; I11-L13 PolarHBondContact O-N 3.07Å; L13-N15 VanDerWaalsContact C-N 3.31Å; L13-N15 PolarHBondContact O-N 3.03Å; L13-R16 PolarHBondContact O-N 3.35Å; L13-L17 PolarHBondContact O-N 2.68Å; L13-V736 HydrophobicContact CB-CG2 3.87Å; L13-V736 HydrophobicContact CD1-CG1 4.49Å; L13-V736 HydrophobicContact CD1-CG2 4.22Å; L13-V736 HydrophobicContact CD2-CG2 4.07Å; L13-V736 HydrophobicContact CG-CG2 4.26Å; L13-S739 VanDerWaalsContact CD1-OG 3.32Å; L13-S739 WeakPolarHBondContact CD1-OG 3.38Å |
| 14 | V | 65.5 | Low | 61.3 | Low | 14 Ų | 14 | 53.4 Ų | 53.4 | 9% | 0.085 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | L10 I11 L17 Q18 L32 I290 | L10-V14 HydrophobicContact CG-CG2 4.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.36Å; L10-V14 PolarHBondContact O-N 3.41Å; I11-V14 PolarHBondContact O-N 3.4Å; V14-L17 WeakPolarHBondContact O-CB 3.26Å; V14-L17 PolarHBondContact O-N 3.24Å; V14-Q18 WeakPolarHBondContact O-CG 3.34Å; V14-Q18 PolarHBondContact O-N 2.93Å; V14-L32 HydrophobicContact CG1-CD1 4.48Å; V14-I290 HydrophobicContact CG2-CD1 3.64Å |
| 15 | N | 63.7 | Low | 61.6 | Low | 45 Ų | 45 | 54.6 Ų | 54.6 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 176.9 | -69.5 | -8 | 0 | 0 | 0 | 111.7 | I11 L13 L17 Q18 D19 N132 | I11-N15 WeakPolarHBondContact O-CB 3.44Å; I11-N15 VanDerWaalsContact O-CG 3.25Å; I11-N15 PolarHBondContact O-N 3.45Å; L13-N15 VanDerWaalsContact C-N 3.31Å; L13-N15 PolarHBondContact O-N 3.03Å; N15-L17 PolarHBondContact O-N 3.21Å; N15-Q18 WeakPolarHBondContact O-CB 3.48Å; N15-Q18 PolarHBondContact O-N 2.91Å; N15-Q18 VanDerWaalsContact O-N 3.11Å; N15-D19 VanDerWaalsContact O-CG 3.23Å; N15-D19 PolarHBondContact O-N 3.09Å; N15-N132 PolarHBondContact OD1-ND2 3.17Å |
| 16 | R | 67.1 | Low | 61.8 | Low | 126 Ų | 126 | 51.8 Ų | 51.8 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 174.1 | -76.9 | 179.7 | -155.6 | 178 | 4.8 | 112.1 | P12 L13 D19 A20 I732 E735 | P12-R16 WeakPolarHBondContact O-CB 3.48Å; P12-R16 VanDerWaalsContact O-CG 3.26Å; P12-R16 WeakPolarHBondContact O-CG 3.36Å; P12-R16 PolarHBondContact O-N 2.64Å; L13-R16 PolarHBondContact O-N 3.35Å; R16-D19 PolarHBondContact O-N 3.04Å; R16-A20 WeakPolarHBondContact O-CB 3.3Å; R16-A20 PolarHBondContact O-N 3.24Å; R16-I732 HydrophobicContact CB-CD1 4.36Å; R16-I732 HydrophobicContact CB-CG2 4.28Å; R16-E735 IonicContact NH1-OE2 2.89Å; R16-E735 PolarHBondContact NH1-OE2 3Å |
| 17 | L | 66.5 | Low | 61.9 | Low | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 177 | -165.2 | 75 | 0 | 0 | 0 | 110.6 | L13 V14 N15 D19 A20 F21 L28 L30 L294 L297 I732 I733 | L13-L17 PolarHBondContact O-N 2.68Å; V14-L17 WeakPolarHBondContact O-CB 3.26Å; V14-L17 PolarHBondContact O-N 3.24Å; N15-L17 PolarHBondContact O-N 3.21Å; L17-D19 VanDerWaalsContact C-N 3.34Å; L17-D19 PolarHBondContact O-N 3.08Å; L17-A20 PolarHBondContact O-N 3.5Å; L17-F21 HydrophobicContact CD1-CD2 4.36Å; L17-F21 HydrophobicContact CD1-CE2 3.89Å; L17-F21 HydrophobicContact CG-CD2 4.24Å; L17-F21 HydrophobicContact CG-CE2 4.11Å; L17-F21 WeakPolarHBondContact O-CD2 3.26Å; L17-F21 PolarHBondContact O-N 3.01Å; L17-F21 VanDerWaalsContact O-N 3.12Å; L17-L28 HydrophobicContact CB-CD2 4.41Å; L17-L28 HydrophobicContact CD2-CD2 4.07Å; L17-L28 HydrophobicContact CG-CD2 3.91Å; L17-L30 HydrophobicContact CD2-CD1 3.52Å; L17-L294 HydrophobicContact CD2-CD2 4.07Å; L17-L297 HydrophobicContact CD2-CD2 4.22Å; L17-I732 HydrophobicContact CB-CG2 4.27Å; L17-I732 HydrophobicContact CD1-CB 4.46Å; L17-I732 HydrophobicContact CD1-CG2 3.93Å; L17-I733 HydrophobicContact CD1-CD1 4.29Å; L17-I733 HydrophobicContact CD1-CG1 3.57Å |
| 18 | Q | 66 | Low | 62.1 | Low | 70 Ų | 70 | 55.7 Ų | 55.7 | 33% | 0.327 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 174.7 | -74 | 177 | -14.3 | 0 | 0 | 112.5 | V14 N15 F21 S22 L28 | V14-Q18 WeakPolarHBondContact O-CG 3.34Å; V14-Q18 PolarHBondContact O-N 2.93Å; N15-Q18 WeakPolarHBondContact O-CB 3.48Å; N15-Q18 PolarHBondContact O-N 2.91Å; N15-Q18 VanDerWaalsContact O-N 3.11Å; Q18-F21 PolarHBondContact O-N 3.15Å; Q18-S22 WeakPolarHBondContact O-CB 3.25Å; Q18-S22 PolarHBondContact O-N 3.03Å; Q18-S22 PolarHBondContact O-OG 3.47Å; Q18-L28 HydrophobicContact CG-CD2 3.95Å |
| 19 | D | 65.6 | Low | 62.1 | Low | 109 Ų | 109 | 56.1 Ų | 56.1 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 178.4 | -67.9 | -24.5 | 0 | 0 | 0 | 111.4 | N15 R16 L17 F21 S22 S23 | N15-D19 VanDerWaalsContact O-CG 3.23Å; N15-D19 PolarHBondContact O-N 3.09Å; R16-D19 PolarHBondContact O-N 3.04Å; L17-D19 VanDerWaalsContact C-N 3.34Å; L17-D19 PolarHBondContact O-N 3.08Å; D19-F21 VanDerWaalsContact C-N 3.32Å; D19-F21 PolarHBondContact O-N 3.47Å; D19-S22 PolarHBondContact O-N 3.11Å; D19-S23 PolarHBondContact O-N 3.34Å |
| 20 | A | 67.7 | Low | 62.1 | Low | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -33.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R16 L17 S23 L24 A729 I732 | R16-A20 WeakPolarHBondContact O-CB 3.3Å; R16-A20 PolarHBondContact O-N 3.24Å; L17-A20 PolarHBondContact O-N 3.5Å; A20-S23 PolarHBondContact O-OG 3.3Å; A20-L24 WeakPolarHBondContact O-CD1 3.44Å; A20-L24 WeakPolarHBondContact O-CG 3.11Å; A20-L24 PolarHBondContact O-N 3.04Å; A20-A729 HydrophobicContact CB-CB 4.37Å; A20-I732 HydrophobicContact CB-CD1 3.63Å |
| 21 | F | 65.8 | Low | 61.7 | Low | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -80.7 | -32.3 | 175 | -84.8 | -100.7 | 0 | 0 | 0 | 112.8 | L17 Q18 D19 S23 L24 G25 V26 L28 L297 L301 A729 | L17-F21 HydrophobicContact CD1-CD2 4.36Å; L17-F21 HydrophobicContact CD1-CE2 3.89Å; L17-F21 HydrophobicContact CG-CD2 4.24Å; L17-F21 HydrophobicContact CG-CE2 4.11Å; L17-F21 WeakPolarHBondContact O-CD2 3.26Å; L17-F21 PolarHBondContact O-N 3.01Å; L17-F21 VanDerWaalsContact O-N 3.12Å; Q18-F21 PolarHBondContact O-N 3.15Å; D19-F21 VanDerWaalsContact C-N 3.32Å; D19-F21 PolarHBondContact O-N 3.47Å; F21-S23 VanDerWaalsContact C-N 3.29Å; F21-S23 PolarHBondContact O-N 3.32Å; F21-L24 WeakPolarHBondContact O-CB 3.5Å; F21-L24 PolarHBondContact O-N 3.2Å; F21-L24 VanDerWaalsContact O-N 3.17Å; F21-G25 PolarHBondContact O-N 2.69Å; F21-V26 CarbonylContact C-O 3.56Å; F21-V26 HydrophobicContact CD1-CB 4.46Å; F21-V26 HydrophobicContact CD1-CG1 4.35Å; F21-V26 PolarHBondContact O-N 3.45Å; F21-L28 HydrophobicContact CB-CB 3.59Å; F21-L28 HydrophobicContact CB-CD1 4.35Å; F21-L28 HydrophobicContact CB-CD2 4.29Å; F21-L28 HydrophobicContact CB-CG 4.3Å; F21-L28 HydrophobicContact CD1-CB 3.99Å; F21-L28 HydrophobicContact CD1-CD1 3.56Å; F21-L28 HydrophobicContact CD1-CG 4.32Å; F21-L28 HydrophobicContact CD2-CB 4.43Å; F21-L28 HydrophobicContact CD2-CD1 3.61Å; F21-L28 HydrophobicContact CD2-CD2 4.02Å; F21-L28 HydrophobicContact CD2-CG 4.24Å; F21-L28 HydrophobicContact CE1-CD1 3.55Å; F21-L28 HydrophobicContact CE2-CD1 3.58Å; F21-L28 HydrophobicContact CG-CB 3.76Å; F21-L28 HydrophobicContact CG-CD1 3.56Å; F21-L28 HydrophobicContact CG-CD2 4.17Å; F21-L28 HydrophobicContact CG-CG 4.03Å; F21-L28 HydrophobicContact CZ-CD1 3.52Å; F21-L297 HydrophobicContact CE1-CD1 3.96Å; F21-L297 HydrophobicContact CE2-CD2 4.09Å; F21-L297 HydrophobicContact CZ-CD1 3.67Å; F21-L297 HydrophobicContact CZ-CD2 3.76Å; F21-L297 HydrophobicContact CZ-CG 3.86Å; F21-L301 HydrophobicContact CE1-CD2 4.07Å; F21-L301 HydrophobicContact CE2-CD1 4.18Å; F21-L301 HydrophobicContact CZ-CD1 3.65Å; F21-L301 HydrophobicContact CZ-CD2 4.02Å; F21-L301 HydrophobicContact CZ-CG 4.08Å; F21-A729 HydrophobicContact CD2-CB 4.45Å; F21-A729 HydrophobicContact CE2-CB 4.04Å |
| 22 | S | 66.3 | Low | 61.8 | Low | 91 Ų | 91 | 57.9 Ų | 57.9 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.2 | -38.1 | 173.3 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | Q18 D19 L24 G25 | Q18-S22 WeakPolarHBondContact O-CB 3.25Å; Q18-S22 PolarHBondContact O-N 3.03Å; Q18-S22 PolarHBondContact O-OG 3.47Å; D19-S22 PolarHBondContact O-N 3.11Å; S22-L24 VanDerWaalsContact C-N 3.29Å; S22-L24 PolarHBondContact O-N 2.76Å; S22-G25 PolarHBondContact O-N 2.87Å; S22-G25 VanDerWaalsContact O-N 3.17Å |
| 23 | S | 64.7 | Low | 61.9 | Low | 74 Ų | 74 | 55.3 Ų | 55.3 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.4 | -26.8 | 174.9 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | D19 A20 F21 G25 | D19-S23 PolarHBondContact O-N 3.34Å; A20-S23 PolarHBondContact O-OG 3.3Å; F21-S23 VanDerWaalsContact C-N 3.29Å; F21-S23 PolarHBondContact O-N 3.32Å; S23-G25 VanDerWaalsContact C-N 3.26Å; S23-G25 PolarHBondContact O-N 3.2Å |
| 24 | L | 63.7 | Low | 62.5 | Low | 20 Ų | 20 | 57.7 Ų | 57.7 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -10.9 | 173 | -75.9 | 167 | 0 | 0 | 0 | 113.5 | A20 F21 S22 V26 V722 A725 M726 A729 | A20-L24 WeakPolarHBondContact O-CD1 3.44Å; A20-L24 WeakPolarHBondContact O-CG 3.11Å; A20-L24 PolarHBondContact O-N 3.04Å; F21-L24 WeakPolarHBondContact O-CB 3.5Å; F21-L24 PolarHBondContact O-N 3.2Å; F21-L24 VanDerWaalsContact O-N 3.17Å; S22-L24 VanDerWaalsContact C-N 3.29Å; S22-L24 PolarHBondContact O-N 2.76Å; L24-V26 HydrophobicContact CB-CB 4.23Å; L24-V26 HydrophobicContact CB-CG2 4.05Å; L24-V26 PolarHBondContact O-N 3.07Å; L24-V722 HydrophobicContact CD2-CG1 4.15Å; L24-V722 WeakPolarHBondContact CD2-O 3.26Å; L24-A725 HydrophobicContact CD1-CB 4.49Å; L24-A725 HydrophobicContact CD2-CB 3.31Å; L24-A725 HydrophobicContact CG-CB 3.69Å; L24-M726 HydrophobicContact CD1-CG 4.41Å; L24-M726 HydrophobicContact CD2-CG 4.12Å; L24-A729 HydrophobicContact CD1-CB 4.46Å |
| 25 | G | 58.5 | Low | 63.6 | Low | 68 Ų | 68 | 57.1 Ų | 57.1 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 12.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F21 S22 S23 | F21-G25 PolarHBondContact O-N 2.69Å; S22-G25 PolarHBondContact O-N 2.87Å; S22-G25 VanDerWaalsContact O-N 3.17Å; S23-G25 VanDerWaalsContact C-N 3.26Å; S23-G25 PolarHBondContact O-N 3.2Å |
| 26 | V | 55.2 | Low | 64.9 | Low | 60 Ų | 60 | 55 Ų | 55 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | trans | -100.8 | 116 | 179.1 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | F21 L24 L28 | F21-V26 CarbonylContact C-O 3.56Å; F21-V26 HydrophobicContact CD1-CB 4.46Å; F21-V26 HydrophobicContact CD1-CG1 4.35Å; F21-V26 PolarHBondContact O-N 3.45Å; L24-V26 HydrophobicContact CB-CB 4.23Å; L24-V26 HydrophobicContact CB-CG2 4.05Å; L24-V26 PolarHBondContact O-N 3.07Å; V26-L28 PolarHBondContact O-N 2.98Å | ||
| 27 | P | 52.5 | Low | 66.2 | Low | 101 Ų | 101 | 49 Ų | 49 | 66% | 0.656 | 29% | 0.294 | S | S | * | . | trans | -61.6 | 117.8 | 176.2 | 24.6 | -31.7 | 0 | 0 | 0 | 109.3 | N29 | P27-N29 VanDerWaalsContact C-N 3.34Å; P27-N29 PolarHBondContact O-N 3.39Å | ||
| 28 | L | 55.6 | Low | 67.5 | Low | 33 Ų | 33 | 48.9 Ų | 48.9 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | trans | -76.1 | 90.4 | 170.4 | -173.7 | 69.7 | 0 | 0 | 0 | 108.3 | L17 Q18 F21 V26 L30 L297 | L17-L28 HydrophobicContact CB-CD2 4.41Å; L17-L28 HydrophobicContact CD2-CD2 4.07Å; L17-L28 HydrophobicContact CG-CD2 3.91Å; Q18-L28 HydrophobicContact CG-CD2 3.95Å; F21-L28 HydrophobicContact CB-CB 3.59Å; F21-L28 HydrophobicContact CB-CD1 4.35Å; F21-L28 HydrophobicContact CB-CD2 4.29Å; F21-L28 HydrophobicContact CB-CG 4.3Å; F21-L28 HydrophobicContact CD1-CB 3.99Å; F21-L28 HydrophobicContact CD1-CD1 3.56Å; F21-L28 HydrophobicContact CD1-CG 4.32Å; F21-L28 HydrophobicContact CD2-CB 4.43Å; F21-L28 HydrophobicContact CD2-CD1 3.61Å; F21-L28 HydrophobicContact CD2-CD2 4.02Å; F21-L28 HydrophobicContact CD2-CG 4.24Å; F21-L28 HydrophobicContact CE1-CD1 3.55Å; F21-L28 HydrophobicContact CE2-CD1 3.58Å; F21-L28 HydrophobicContact CG-CB 3.76Å; F21-L28 HydrophobicContact CG-CD1 3.56Å; F21-L28 HydrophobicContact CG-CD2 4.17Å; F21-L28 HydrophobicContact CG-CG 4.03Å; F21-L28 HydrophobicContact CZ-CD1 3.52Å; V26-L28 PolarHBondContact O-N 2.98Å; L28-L30 HydrophobicContact CD1-CD1 4.07Å; L28-L30 HydrophobicContact CD1-CG 4.14Å; L28-L30 HydrophobicContact CD2-CD1 3.35Å; L28-L30 HydrophobicContact CD2-CG 4.11Å; L28-L30 HydrophobicContact CG-CB 4.33Å; L28-L30 HydrophobicContact CG-CD1 3.7Å; L28-L30 HydrophobicContact CG-CG 3.88Å; L28-L30 PolarHBondContact O-N 3.23Å; L28-L297 HydrophobicContact CD1-CD1 4.07Å; L28-L297 HydrophobicContact CD1-CD2 3.67Å | ||
| 29 | N | 53.6 | Low | 68.8 | Low | 137 Ų | 137 | 45.5 Ų | 45.5 | 73% | 0.733 | 28% | 0.278 | S | S | * | . | trans | -75.7 | 67.5 | 168.8 | -69.4 | -1 | 0 | 0 | 0 | 109.3 | P27 D31 | P27-N29 VanDerWaalsContact C-N 3.34Å; P27-N29 PolarHBondContact O-N 3.39Å; N29-D31 PolarHBondContact O-N 3.38Å | ||
| 30 | L | 56.1 | Low | 70 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | trans | -78.4 | 95.4 | 157.7 | -85.6 | 163.1 | 0 | 0 | 0 | 106.3 | L17 L28 L32 | L17-L30 HydrophobicContact CD2-CD1 3.52Å; L28-L30 HydrophobicContact CD1-CD1 4.07Å; L28-L30 HydrophobicContact CD1-CG 4.14Å; L28-L30 HydrophobicContact CD2-CD1 3.35Å; L28-L30 HydrophobicContact CD2-CG 4.11Å; L28-L30 HydrophobicContact CG-CB 4.33Å; L28-L30 HydrophobicContact CG-CD1 3.7Å; L28-L30 HydrophobicContact CG-CG 3.88Å; L28-L30 PolarHBondContact O-N 3.23Å; L30-L32 PolarHBondContact O-N 3.12Å | ||
| 31 | D | 56.2 | Low | 71 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | trans | -66.2 | 82.2 | 165.1 | -72.7 | -16.9 | 0 | 0 | 0 | 107.7 | N29 N169 H289 | N29-D31 PolarHBondContact O-N 3.38Å; D31-N169 WeakPolarHBondContact CB-ND2 3.19Å; D31-H289 PolarHBondContact O-NE2 3.03Å | ||
| 32 | L | 60 | Low | 71.9 | Confident | 44 Ų | 44 | 48 Ų | 48 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 138.4 | 170.4 | -68.2 | 174.8 | 0 | 0 | 0 | 107.5 | V14 L30 Q34 L286 I290 | V14-L32 HydrophobicContact CG1-CD1 4.48Å; L30-L32 PolarHBondContact O-N 3.12Å; L32-Q34 PolarHBondContact O-N 3.44Å; L32-Q34 VanDerWaalsContact O-N 3.12Å; L32-L286 HydrophobicContact CD2-CD1 4.33Å; L32-I290 HydrophobicContact CD2-CD1 3.74Å; L32-I290 HydrophobicContact CD2-CG1 3.8Å |
| 33 | P | 65.1 | Low | 73.1 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 121.4 | -173.8 | 26.5 | -30.7 | 0 | 0 | 0 | 108.9 | N169 L171 L286 H289 | P33-N169 WeakPolarHBondContact CA-O 3.47Å; P33-N169 VanDerWaalsContact CB-O 3.31Å; P33-N169 WeakPolarHBondContact CB-O 3.43Å; P33-L171 HydrophobicContact CB-CD1 4.2Å; P33-L171 HydrophobicContact CB-CG 4.35Å; P33-L286 HydrophobicContact CG-CD1 3.47Å; P33-L286 VanDerWaalsContact CG-CD1 3.47Å; P33-H289 VanDerWaalsContact CD-CD2 3.44Å; P33-H289 WeakPolarHBondContact CD-CD2 3.44Å; P33-H289 HydrophobicContact CG-CB 3.97Å |
| 34 | Q | 77.9 | Confident | 74.2 | Confident | 65 Ų | 65 | 41 Ų | 41 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -76 | 144.4 | 172 | -61.3 | 178 | 12.9 | 0 | 0 | 108 | L32 I136 C170 L171 | L32-Q34 PolarHBondContact O-N 3.44Å; L32-Q34 VanDerWaalsContact O-N 3.12Å; Q34-I136 HydrophobicContact CB-CD1 4.15Å; Q34-I136 VanDerWaalsContact OE1-CD1 3.27Å; Q34-C170 CarbonylContact O-C 3.55Å; Q34-C170 WeakPolarHBondContact O-CA 3.36Å; Q34-L171 PolarHBondContact O-N 2.81Å |
| 35 | I | 88.1 | Confident | 75.5 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 108.3 | 176.3 | -56.5 | 175.9 | 0 | 0 | 0 | 108.2 | L133 T134 L135 I136 L171 L173 L282 | I35-L133 HydrophobicContact CD1-CD1 3.85Å; I35-L133 HydrophobicContact CD1-CD2 4.04Å; I35-L133 HydrophobicContact CD1-CG 4.35Å; I35-L133 HydrophobicContact CG1-CD1 4.41Å; I35-T134 PolarHBondContact N-O 3.04Å; I35-T134 VanDerWaalsContact N-O 3.07Å; I35-L135 HydrophobicContact CB-CD2 3.76Å; I35-L135 HydrophobicContact CD1-CD2 3.93Å; I35-L135 HydrophobicContact CG1-CD2 4.3Å; I35-L135 HydrophobicContact CG2-CD2 4.16Å; I35-L135 CarbonylContact O-C 3.54Å; I35-L135 WeakPolarHBondContact O-CA 3.45Å; I35-I136 PolarHBondContact O-N 3.08Å; I35-L171 WeakPolarHBondContact CA-O 3.42Å; I35-L171 HydrophobicContact CG1-CB 4.14Å; I35-L171 HydrophobicContact CG1-CD1 4.26Å; I35-L173 HydrophobicContact CG2-CB 4.18Å; I35-L282 HydrophobicContact CD1-CB 4.22Å; I35-L282 HydrophobicContact CD1-CD1 3.96Å; I35-L282 HydrophobicContact CD1-CD2 4.25Å; I35-L282 HydrophobicContact CD1-CG 4.37Å |
| 36 | A | 91.5 | Very high | 76.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L138 I165 C170 L171 L173 | A36-L138 HydrophobicContact CB-CD1 4.05Å; A36-I165 HydrophobicContact CB-CG2 3.84Å; A36-C170 WeakPolarHBondContact CB-SG 3.29Å; A36-L171 PolarHBondContact N-O 3.45Å; A36-L173 PolarHBondContact O-N 3.43Å |
| 37 | V | 93.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.2 | 178.2 | -171 | 0 | 0 | 0 | 0 | 109.5 | K45 L49 I136 L173 V175 | V37-K45 HydrophobicContact CG1-CB 3.77Å; V37-K45 HydrophobicContact CG1-CD 4.13Å; V37-K45 HydrophobicContact CG1-CG 3.84Å; V37-L49 HydrophobicContact CG2-CD1 4.17Å; V37-L49 HydrophobicContact CG2-CD2 3.7Å; V37-L49 HydrophobicContact CG2-CG 4.02Å; V37-I136 PolarHBondContact N-O 3.34Å; V37-L173 HydrophobicContact CG1-CD2 4.44Å; V37-L173 HydrophobicContact CG2-CB 4.35Å; V37-L173 HydrophobicContact CG2-CD2 4.04Å; V37-V175 HydrophobicContact CG1-CG2 3.52Å |
| 38 | V | 94.3 | Very high | 80.1 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.1 | -177.4 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | L138 I161 I165 I172 L173 V175 A187 L190 | V38-L138 HydrophobicContact CG2-CD1 4.07Å; V38-I161 HydrophobicContact CG1-CD1 4.38Å; V38-I161 HydrophobicContact CG1-CG2 3.98Å; V38-I161 HydrophobicContact CG2-CG2 3.88Å; V38-I165 HydrophobicContact CG2-CG2 3.7Å; V38-I172 HydrophobicContact CB-CG2 4.49Å; V38-I172 HydrophobicContact CG2-CG2 4.08Å; V38-L173 PolarHBondContact N-O 3.08Å; V38-V175 PolarHBondContact O-N 3.5Å; V38-A187 HydrophobicContact CG1-CB 4.46Å; V38-L190 HydrophobicContact CG1-CD1 4.11Å |
| 39 | G | 93.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | 172.1 | 160 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K45 G140 M141 V175 | G39-K45 PolarHBondContact O-NZ 3.35Å; G39-G140 VanDerWaalsContact O-CA 3.24Å; G39-G140 WeakPolarHBondContact O-CA 3.41Å; G39-M141 PolarHBondContact O-N 3.24Å; G39-V175 WeakPolarHBondContact CA-O 3.15Å | ||
| 40 | S | 91.1 | Very high | 83.2 | Confident | 31 Ų | 31 | 23.6 Ų | 23.6 | 22% | 0.217 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -59.4 | 162.7 | 176.4 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | S42 A43 K45 | S40-S42 PolarHBondContact O-N 3.35Å; S40-A43 VanDerWaalsContact O-CB 3.25Å; S40-A43 WeakPolarHBondContact O-CB 3.23Å; S40-A43 PolarHBondContact O-N 3.03Å; S40-K45 PolarHBondContact O-NZ 3.32Å |
| 41 | Q | 87.1 | Confident | 84.4 | Confident | 64 Ų | 64 | 22.9 Ų | 22.9 | 30% | 0.299 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 136.1 | 171.3 | -168.4 | -167.3 | -26.5 | 0 | 0 | 110.1 | A43 G63 M141 T142 | Q41-A43 PolarHBondContact O-N 3.26Å; Q41-A43 VanDerWaalsContact O-N 3.15Å; Q41-G63 PolarHBondContact NE2-O 2.82Å; Q41-M141 PolarHBondContact N-O 3.18Å; Q41-T142 HydrophobicContact CB-CG2 4.18Å; Q41-T142 VanDerWaalsContact OE1-CG2 3.31Å |
| 42 | S | 86.5 | Confident | 85.3 | Confident | 78 Ų | 78 | 19 Ų | 19 | 55% | 0.545 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 12.9 | -179 | -52 | 0 | 0 | 0 | 0 | 116 | S40 G44 K207 | S40-S42 PolarHBondContact O-N 3.35Å; S42-G44 PolarHBondContact O-N 2.68Å; S42-K207 WeakPolarHBondContact O-CE 3.27Å; S42-K207 PolarHBondContact O-NZ 3.37Å |
| 43 | A | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -64.7 | -12.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | S40 Q41 V175 P177 T206 | S40-A43 VanDerWaalsContact O-CB 3.25Å; S40-A43 WeakPolarHBondContact O-CB 3.23Å; S40-A43 PolarHBondContact O-N 3.03Å; Q41-A43 PolarHBondContact O-N 3.26Å; Q41-A43 VanDerWaalsContact O-N 3.15Å; A43-V175 HydrophobicContact CB-CG1 4.25Å; A43-P177 HydrophobicContact CB-CG 4.5Å; A43-T206 WeakPolarHBondContact O-CG2 3.48Å; A43-T206 PolarHBondContact O-OG1 2.98Å |
| 44 | G | 88.2 | Confident | 86.9 | Confident | 17 Ų | 17 | 18.3 Ų | 18.3 | 18% | 0.175 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 98.1 | 15.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S42 S46 S47 V48 | S42-G44 PolarHBondContact O-N 2.68Å; G44-S46 PolarHBondContact O-N 2.9Å; G44-S47 PolarHBondContact O-N 3.1Å; G44-V48 WeakPolarHBondContact O-CG2 3.28Å; G44-V48 PolarHBondContact O-N 2.78Å |
| 45 | K | 90.7 | Very high | 87 | Confident | 13 Ų | 13 | 20.6 Ų | 20.6 | 6% | 0.057 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -48.6 | -56.9 | 178.1 | -60.7 | -171.4 | -67.5 | -71.4 | 0 | 113.5 | V37 G39 S40 S47 V48 L49 L138 V175 | V37-K45 HydrophobicContact CG1-CB 3.77Å; V37-K45 HydrophobicContact CG1-CD 4.13Å; V37-K45 HydrophobicContact CG1-CG 3.84Å; G39-K45 PolarHBondContact O-NZ 3.35Å; S40-K45 PolarHBondContact O-NZ 3.32Å; K45-S47 VanDerWaalsContact C-N 3.3Å; K45-S47 PolarHBondContact O-N 3.44Å; K45-V48 WeakPolarHBondContact O-CB 3.4Å; K45-V48 PolarHBondContact O-N 2.6Å; K45-L49 PolarHBondContact O-N 3.15Å; K45-L138 WeakPolarHBondContact CE-O 3.2Å; K45-V175 HydrophobicContact CG-CB 4.19Å; K45-V175 HydrophobicContact CG-CG1 4.46Å; K45-V175 HydrophobicContact CG-CG2 4.37Å |
| 46 | S | 88 | Confident | 86.7 | Confident | 21 Ų | 21 | 22.6 Ų | 22.6 | 15% | 0.147 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | -178.5 | -42 | 0 | 0 | 0 | 0 | 111.8 | G44 V48 L49 E50 | G44-S46 PolarHBondContact O-N 2.9Å; S46-V48 PolarHBondContact O-N 3.18Å; S46-L49 PolarHBondContact O-N 3.34Å; S46-E50 WeakPolarHBondContact O-CG 3.48Å; S46-E50 PolarHBondContact O-N 3.42Å |
| 47 | S | 87.9 | Confident | 86.6 | Confident | 14 Ų | 14 | 22.6 Ų | 22.6 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.2 | -36.2 | 175.1 | -64.2 | 0 | 0 | 0 | 0 | 112.9 | G44 K45 N51 R60 | G44-S47 PolarHBondContact O-N 3.1Å; K45-S47 VanDerWaalsContact C-N 3.3Å; K45-S47 PolarHBondContact O-N 3.44Å; S47-N51 WeakPolarHBondContact O-CB 3.32Å; S47-N51 VanDerWaalsContact O-CG 3.27Å; S47-N51 PolarHBondContact O-N 3.24Å; S47-N51 VanDerWaalsContact O-N 3.08Å; S47-R60 PolarHBondContact OG-NH1 2.86Å; S47-R60 PolarHBondContact OG-NH2 3.09Å; S47-R60 VanDerWaalsContact OG-NH2 3.12Å |
| 48 | V | 88.3 | Confident | 86.4 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 174 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | G44 K45 S46 E50 N51 F52 L173 V204 T206 V235 L278 | G44-V48 WeakPolarHBondContact O-CG2 3.28Å; G44-V48 PolarHBondContact O-N 2.78Å; K45-V48 WeakPolarHBondContact O-CB 3.4Å; K45-V48 PolarHBondContact O-N 2.6Å; S46-V48 PolarHBondContact O-N 3.18Å; V48-E50 PolarHBondContact O-N 2.99Å; V48-N51 WeakPolarHBondContact O-CB 3.29Å; V48-N51 PolarHBondContact O-N 3.31Å; V48-F52 HydrophobicContact CG1-CD2 4.09Å; V48-F52 HydrophobicContact CG1-CE2 4.08Å; V48-F52 WeakPolarHBondContact O-CD2 3.15Å; V48-F52 PolarHBondContact O-N 2.93Å; V48-F52 VanDerWaalsContact O-N 3.1Å; V48-L173 HydrophobicContact CG1-CD2 4.09Å; V48-V204 HydrophobicContact CG2-CG1 4.28Å; V48-T206 HydrophobicContact CG2-CG2 4Å; V48-V235 HydrophobicContact CG2-CG2 4.13Å; V48-L278 HydrophobicContact CG1-CD2 4.02Å |
| 49 | L | 87.2 | Confident | 85.9 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 178.7 | -71.6 | 173.7 | 0 | 0 | 0 | 113.2 | V37 K45 S46 N51 F52 V53 L58 L135 D137 | V37-L49 HydrophobicContact CG2-CD1 4.17Å; V37-L49 HydrophobicContact CG2-CD2 3.7Å; V37-L49 HydrophobicContact CG2-CG 4.02Å; K45-L49 PolarHBondContact O-N 3.15Å; S46-L49 PolarHBondContact O-N 3.34Å; L49-N51 VanDerWaalsContact C-N 3.33Å; L49-N51 PolarHBondContact O-N 3.4Å; L49-F52 WeakPolarHBondContact O-CA 3.37Å; L49-F52 VanDerWaalsContact O-CB 3.23Å; L49-F52 WeakPolarHBondContact O-CB 3.3Å; L49-F52 PolarHBondContact O-N 2.94Å; L49-V53 WeakPolarHBondContact O-CG2 3.46Å; L49-V53 PolarHBondContact O-N 2.9Å; L49-V53 VanDerWaalsContact O-N 3.07Å; L49-L58 HydrophobicContact CB-CD1 3.81Å; L49-L58 HydrophobicContact CD1-CD1 4.06Å; L49-L135 HydrophobicContact CD2-CB 3.86Å; L49-L135 HydrophobicContact CD2-CD1 3.71Å; L49-L135 HydrophobicContact CD2-CG 4.23Å; L49-D137 HydrophobicContact CD1-CB 3.44Å; L49-D137 VanDerWaalsContact CD1-CB 3.44Å |
| 50 | E | 85.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -37.3 | 177.3 | -73.9 | 179.8 | 151.1 | 0 | 0 | 112.3 | S46 V48 F52 V53 G54 R55 D56 F57 L58 R60 | S46-E50 WeakPolarHBondContact O-CG 3.48Å; S46-E50 PolarHBondContact O-N 3.42Å; V48-E50 PolarHBondContact O-N 2.99Å; E50-F52 PolarHBondContact O-N 3.26Å; E50-V53 PolarHBondContact O-N 3.31Å; E50-G54 PolarHBondContact O-N 3.38Å; E50-R55 WeakPolarHBondContact CB-O 3.46Å; E50-R55 WeakPolarHBondContact CG-O 3.2Å; E50-R55 PolarHBondContact O-N 2.94Å; E50-D56 WeakPolarHBondContact OE1-CA 3.19Å; E50-F57 HydrophobicContact CG-CD1 4.32Å; E50-F57 HydrophobicContact CG-CE1 4.11Å; E50-F57 PolarHBondContact OE1-N 2.81Å; E50-L58 HydrophobicContact CG-CB 4.27Å; E50-L58 HydrophobicContact CG-CD1 4.11Å; E50-L58 HydrophobicContact CG-CG 4.08Å; E50-L58 PolarHBondContact OE1-N 2.77Å; E50-R60 IonicContact OE2-CZ 3.69Å; E50-R60 IonicContact OE2-NE 3.9Å; E50-R60 PolarHBondContact OE2-NE 2.9Å; E50-R60 IonicContact OE2-NH2 2.63Å; E50-R60 PolarHBondContact OE2-NH2 2.91Å |
| 51 | N | 81.1 | Confident | 84.5 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -30.9 | 171.9 | -78.1 | -5.4 | 0 | 0 | 0 | 112.1 | S47 V48 L49 N237 T275 Q279 | S47-N51 WeakPolarHBondContact O-CB 3.32Å; S47-N51 VanDerWaalsContact O-CG 3.27Å; S47-N51 PolarHBondContact O-N 3.24Å; S47-N51 VanDerWaalsContact O-N 3.08Å; V48-N51 WeakPolarHBondContact O-CB 3.29Å; V48-N51 PolarHBondContact O-N 3.31Å; L49-N51 VanDerWaalsContact C-N 3.33Å; L49-N51 PolarHBondContact O-N 3.4Å; N51-N237 PolarHBondContact ND2-OD1 3.48Å; N51-T275 HydrophobicContact CB-CG2 3.78Å; N51-Q279 PolarHBondContact O-NE2 3.44Å |
| 52 | F | 76 | Confident | 83.7 | Confident | 23 Ų | 23 | 30.7 Ų | 30.7 | 10% | 0.101 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -44.8 | 173.7 | -97.5 | -87.3 | 0 | 0 | 0 | 112.9 | V48 L49 E50 L135 L278 Q279 L282 | V48-F52 HydrophobicContact CG1-CD2 4.09Å; V48-F52 HydrophobicContact CG1-CE2 4.08Å; V48-F52 WeakPolarHBondContact O-CD2 3.15Å; V48-F52 PolarHBondContact O-N 2.93Å; V48-F52 VanDerWaalsContact O-N 3.1Å; L49-F52 WeakPolarHBondContact O-CA 3.37Å; L49-F52 VanDerWaalsContact O-CB 3.23Å; L49-F52 WeakPolarHBondContact O-CB 3.3Å; L49-F52 PolarHBondContact O-N 2.94Å; E50-F52 PolarHBondContact O-N 3.26Å; F52-L135 HydrophobicContact CB-CD1 4.37Å; F52-L278 HydrophobicContact CE2-CD2 3.74Å; F52-L278 HydrophobicContact CE2-CG 3.84Å; F52-L278 HydrophobicContact CZ-CB 4.46Å; F52-L278 HydrophobicContact CZ-CD2 4.27Å; F52-L278 HydrophobicContact CZ-CG 3.83Å; F52-Q279 HydrophobicContact CD1-CG 3.63Å; F52-Q279 HydrophobicContact CE1-CB 4Å; F52-Q279 HydrophobicContact CE1-CG 3.31Å; F52-Q279 HydrophobicContact CE2-CG 4.4Å; F52-Q279 HydrophobicContact CG-CG 4.29Å; F52-Q279 HydrophobicContact CZ-CB 4.33Å; F52-Q279 HydrophobicContact CZ-CG 3.7Å; F52-L282 HydrophobicContact CE1-CD1 3.59Å; F52-L282 HydrophobicContact CE1-CG 4.43Å; F52-L282 HydrophobicContact CE2-CD1 3.88Å; F52-L282 HydrophobicContact CZ-CD1 3.15Å; F52-L282 HydrophobicContact CZ-CG 4.01Å |
| 53 | V | 79.1 | Confident | 83.1 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77.9 | -31 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | L49 E50 R55 F57 L72 L74 V125 | L49-V53 WeakPolarHBondContact O-CG2 3.46Å; L49-V53 PolarHBondContact O-N 2.9Å; L49-V53 VanDerWaalsContact O-N 3.07Å; E50-V53 PolarHBondContact O-N 3.31Å; V53-R55 HydrophobicContact CG1-CB 4.28Å; V53-R55 HydrophobicContact CG1-CG 4.5Å; V53-F57 HydrophobicContact CB-CD1 4.48Å; V53-F57 HydrophobicContact CB-CE1 3.63Å; V53-F57 HydrophobicContact CB-CZ 4.32Å; V53-F57 HydrophobicContact CG1-CD1 4.32Å; V53-F57 HydrophobicContact CG1-CE1 3.83Å; V53-F57 HydrophobicContact CG2-CE1 3.51Å; V53-F57 HydrophobicContact CG2-CZ 3.68Å; V53-L72 HydrophobicContact CG2-CD2 3.83Å; V53-L74 HydrophobicContact CB-CD2 4.5Å; V53-L74 HydrophobicContact CG1-CD2 4.29Å; V53-L74 HydrophobicContact CG2-CD1 4.37Å; V53-L74 HydrophobicContact CG2-CD2 3.63Å; V53-V125 HydrophobicContact CG1-CG1 4.28Å |
| 54 | G | 78.4 | Confident | 82.4 | Confident | 31 Ų | 31 | 28.3 Ų | 28.3 | 32% | 0.32 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 7.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E50 I249 | E50-G54 PolarHBondContact O-N 3.38Å; G54-I249 VanDerWaalsContact C-CD1 3.43Å; G54-I249 VanDerWaalsContact CA-CD1 3.48Å |
| 55 | R | 80.1 | Confident | 82.1 | Confident | 113 Ų | 113 | 29.4 Ų | 29.4 | 43% | 0.426 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -140.2 | 150.8 | -174 | -61.6 | -65.3 | -171.6 | 179.5 | 4.3 | 111 | E50 V53 F57 E80 F95 | E50-R55 WeakPolarHBondContact CB-O 3.46Å; E50-R55 WeakPolarHBondContact CG-O 3.2Å; E50-R55 PolarHBondContact O-N 2.94Å; V53-R55 HydrophobicContact CG1-CB 4.28Å; V53-R55 HydrophobicContact CG1-CG 4.5Å; R55-F57 HydrophobicContact CB-CD1 4.36Å; R55-F57 VanDerWaalsContact O-CD1 3.29Å; R55-F57 WeakPolarHBondContact O-CD1 3.46Å; R55-E80 IonicContact CZ-OE2 3.98Å; R55-E80 IonicContact NE-OE1 3.36Å; R55-E80 IonicContact NE-OE2 3.3Å; R55-E80 PolarHBondContact NE-OE2 3.44Å; R55-E80 IonicContact NH2-OE2 3.32Å; R55-E80 PolarHBondContact NH2-OE2 3.29Å; R55-F95 HydrophobicContact CB-CD1 4.09Å; R55-F95 HydrophobicContact CB-CD2 4.36Å; R55-F95 HydrophobicContact CB-CE1 4.34Å; R55-F95 HydrophobicContact CB-CG 4.08Å; R55-F95 HydrophobicContact CG-CD1 4.47Å; R55-F95 HydrophobicContact CG-CD2 4.09Å; R55-F95 HydrophobicContact CG-CE1 4.39Å; R55-F95 HydrophobicContact CG-CE2 4.01Å; R55-F95 HydrophobicContact CG-CG 4.32Å; R55-F95 HydrophobicContact CG-CZ 4.15Å |
| 56 | D | 83.1 | Confident | 81.8 | Confident | 44 Ų | 44 | 29.6 Ų | 29.6 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | trans | -90.8 | 107.6 | 173.3 | -68.6 | -47.8 | 0 | 0 | 0 | 110 | E50 R99 R238 | E50-D56 WeakPolarHBondContact OE1-CA 3.19Å; D56-R99 PolarHBondContact O-NH2 3.47Å; D56-R238 IonicContact OD1-CZ 2.69Å; D56-R238 IonicContact OD1-NH1 3.33Å; D56-R238 PolarHBondContact OD1-NH1 2.81Å; D56-R238 IonicContact OD1-NH2 3.42Å; D56-R238 PolarHBondContact OD1-NH2 3.16Å; D56-R238 IonicContact OD2-CZ 2.79Å; D56-R238 IonicContact OD2-NH1 2.78Å; D56-R238 PolarHBondContact OD2-NH1 3.38Å; D56-R238 IonicContact OD2-NH2 3.52Å; D56-R238 PolarHBondContact OD2-NH2 3.44Å | ||
| 57 | F | 88.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -143.7 | -5.6 | -175.8 | 67.7 | -83.7 | 0 | 0 | 0 | 113.3 | E50 V53 R55 L72 F95 V98 R99 I102 L123 | E50-F57 HydrophobicContact CG-CD1 4.32Å; E50-F57 HydrophobicContact CG-CE1 4.11Å; E50-F57 PolarHBondContact OE1-N 2.81Å; V53-F57 HydrophobicContact CB-CD1 4.48Å; V53-F57 HydrophobicContact CB-CE1 3.63Å; V53-F57 HydrophobicContact CB-CZ 4.32Å; V53-F57 HydrophobicContact CG1-CD1 4.32Å; V53-F57 HydrophobicContact CG1-CE1 3.83Å; V53-F57 HydrophobicContact CG2-CE1 3.51Å; V53-F57 HydrophobicContact CG2-CZ 3.68Å; R55-F57 HydrophobicContact CB-CD1 4.36Å; R55-F57 VanDerWaalsContact O-CD1 3.29Å; R55-F57 WeakPolarHBondContact O-CD1 3.46Å; F57-L72 HydrophobicContact CE2-CD1 4.02Å; F57-L72 HydrophobicContact CE2-CD2 3.97Å; F57-L72 HydrophobicContact CZ-CD1 4.26Å; F57-L72 HydrophobicContact CZ-CD2 3.56Å; F57-F95 HydrophobicContact CB-CB 4.12Å; F57-F95 HydrophobicContact CB-CD1 3.76Å; F57-F95 HydrophobicContact CB-CG 4.42Å; F57-F95 HydrophobicContact CD1-CD1 4.38Å; F57-F95 HydrophobicContact CG-CD1 4.2Å; F57-V98 HydrophobicContact CB-CB 4.39Å; F57-V98 HydrophobicContact CB-CG1 4.11Å; F57-V98 HydrophobicContact CD2-CG1 4.31Å; F57-R99 WeakPolarHBondContact O-CA 3.29Å; F57-R99 WeakPolarHBondContact O-CB 3.24Å; F57-I102 HydrophobicContact CD2-CD1 4.37Å; F57-I102 WeakPolarHBondContact O-CD1 3.32Å; F57-L123 HydrophobicContact CD2-CD2 3.97Å; F57-L123 HydrophobicContact CE2-CD2 4.09Å | ||
| 58 | L | 89.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -90.1 | 144.2 | 177.5 | -63.8 | 179.8 | 0 | 0 | 0 | 110.2 | L49 E50 L70 I102 | L49-L58 HydrophobicContact CB-CD1 3.81Å; L49-L58 HydrophobicContact CD1-CD1 4.06Å; E50-L58 HydrophobicContact CG-CB 4.27Å; E50-L58 HydrophobicContact CG-CD1 4.11Å; E50-L58 HydrophobicContact CG-CG 4.08Å; E50-L58 PolarHBondContact OE1-N 2.77Å; L58-L70 HydrophobicContact CD2-CD2 3.18Å; L58-I102 HydrophobicContact CD2-CD1 4.36Å |
| 59 | P | 85.1 | Confident | 81.9 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.071 | 18% | 0.177 | C | C | . | . | trans | -57.8 | 150 | 175.4 | -24.5 | 35.1 | 0 | 0 | 0 | 111.4 | V65 I102 E103 | P59-V65 VanDerWaalsContact C-CG1 3.4Å; P59-V65 HydrophobicContact CB-CG1 3.7Å; P59-V65 WeakPolarHBondContact O-CG1 3.23Å; P59-I102 HydrophobicContact CG-CB 4.06Å; P59-I102 HydrophobicContact CG-CG2 3.58Å; P59-E103 HydrophobicContact CB-CG 3.69Å; P59-E103 WeakPolarHBondContact CB-OE1 3.16Å; P59-E103 HydrophobicContact CG-CG 3.68Å | ||
| 60 | R | 78.7 | Confident | 82.1 | Confident | 74 Ų | 74 | 29.9 Ų | 29.9 | 28% | 0.279 | 18% | 0.178 | S | C | . | . | trans | -136.1 | 134.8 | 177.3 | -68.4 | -179.9 | 173.1 | -90.4 | 5.2 | 109.6 | S47 E50 | S47-R60 PolarHBondContact OG-NH1 2.86Å; S47-R60 PolarHBondContact OG-NH2 3.09Å; S47-R60 VanDerWaalsContact OG-NH2 3.12Å; E50-R60 IonicContact OE2-CZ 3.69Å; E50-R60 IonicContact OE2-NE 3.9Å; E50-R60 PolarHBondContact OE2-NE 2.9Å; E50-R60 IonicContact OE2-NH2 2.63Å; E50-R60 PolarHBondContact OE2-NH2 2.91Å | ||
| 61 | G | 74.6 | Confident | 82.3 | Confident | 54 Ų | 54 | 30.6 Ų | 30.6 | 56% | 0.557 | 18% | 0.182 | S | C | * | . | trans | -177.7 | 179 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V65 | G61-V65 WeakPolarHBondContact O-CG2 3.47Š| ||
| 62 | S | 71.3 | Confident | 82.7 | Confident | 126 Ų | 126 | 30.1 Ų | 30.1 | 88% | 0.881 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -85.5 | 151.1 | 168.8 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 63 | G | 73.5 | Confident | 83.1 | Confident | 15 Ų | 15 | 31.7 Ų | 31.7 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 83 | -164.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q41 V65 | Q41-G63 PolarHBondContact NE2-O 2.82Å; G63-V65 PolarHBondContact O-N 3.48Å; G63-V65 VanDerWaalsContact O-N 3.13Å |
| 64 | I | 75.1 | Confident | 83.2 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | trans | -73.1 | 102.9 | 175.8 | -55.1 | -171.9 | 0 | 0 | 0 | 108.1 | T66 R67 T142 I153 I157 | I64-T66 VanDerWaalsContact CG2-O 3.25Å; I64-T66 WeakPolarHBondContact CG2-O 3.37Å; I64-R67 HydrophobicContact CB-CG 4.38Å; I64-R67 HydrophobicContact CG2-CG 3.91Å; I64-R67 WeakPolarHBondContact O-CG 3.14Å; I64-T142 HydrophobicContact CD1-CG2 3.57Å; I64-T142 HydrophobicContact CG1-CG2 3.66Å; I64-I153 HydrophobicContact CD1-CG1 4.34Å; I64-I157 HydrophobicContact CD1-CD1 3.7Å | ||
| 65 | V | 81.7 | Confident | 83.2 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 24% | 0.242 | 18% | 0.182 | C | C | . | . | trans | -77.9 | -55.8 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | P59 G61 G63 R67 | P59-V65 VanDerWaalsContact C-CG1 3.4Å; P59-V65 HydrophobicContact CB-CG1 3.7Å; P59-V65 WeakPolarHBondContact O-CG1 3.23Å; G61-V65 WeakPolarHBondContact O-CG2 3.47Å; G63-V65 PolarHBondContact O-N 3.48Å; G63-V65 VanDerWaalsContact O-N 3.13Å; V65-R67 PolarHBondContact O-N 2.99Å | ||
| 66 | T | 84.7 | Confident | 82.9 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | trans | -80.5 | 102.7 | 173 | -48.7 | 0 | 0 | 0 | 0 | 109.1 | I64 R68 D137 P139 | I64-T66 VanDerWaalsContact CG2-O 3.25Å; I64-T66 WeakPolarHBondContact CG2-O 3.37Å; T66-R68 VanDerWaalsContact CG2-O 3.24Å; T66-R68 WeakPolarHBondContact CG2-O 3.48Å; T66-D137 PolarHBondContact OG1-OD2 3.21Å; T66-P139 WeakPolarHBondContact O-CA 3.34Å; T66-P139 WeakPolarHBondContact O-CB 3.47Å; T66-P139 WeakPolarHBondContact O-CG 3.46Å | ||
| 67 | R | 86.6 | Confident | 82.8 | Confident | 30 Ų | 30 | 28.9 Ų | 28.9 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | trans | -101.6 | -9.2 | -179.4 | -70 | 175.8 | -74.6 | 160.5 | -6.6 | 114.2 | I64 V65 T106 D107 T110 G111 G115 I116 S117 | I64-R67 HydrophobicContact CB-CG 4.38Å; I64-R67 HydrophobicContact CG2-CG 3.91Å; I64-R67 WeakPolarHBondContact O-CG 3.14Å; V65-R67 PolarHBondContact O-N 2.99Å; R67-T106 HydrophobicContact CB-CG2 3.74Å; R67-D107 IonicContact CZ-OD1 2.59Å; R67-D107 IonicContact NH1-OD1 3.17Å; R67-D107 PolarHBondContact NH1-OD1 3.35Å; R67-D107 IonicContact NH2-OD1 2.84Å; R67-D107 PolarHBondContact NH2-OD1 2.87Å; R67-D107 IonicContact NH2-OD2 3.46Å; R67-T110 PolarHBondContact NH1-OG1 3.44Å; R67-G111 PolarHBondContact NH1-O 2.99Å; R67-G115 WeakPolarHBondContact CB-O 3.31Å; R67-G115 WeakPolarHBondContact CD-O 3.35Å; R67-I116 HydrophobicContact CB-CG2 4.27Å; R67-I116 HydrophobicContact CG-CG2 4.42Å; R67-I116 VanDerWaalsContact O-CA 3.28Å; R67-I116 WeakPolarHBondContact O-CA 3.34Å; R67-I116 WeakPolarHBondContact O-CB 3.43Å; R67-S117 PolarHBondContact O-N 3.17Å; R67-S117 VanDerWaalsContact O-N 3.12Å | ||
| 68 | R | 89.7 | Confident | 82.5 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -133.4 | 145.8 | 175.2 | -69.7 | 175.2 | 66.1 | -175.2 | -6 | 108.2 | T66 L70 E105 T106 T110 T119 P120 I121 | T66-R68 VanDerWaalsContact CG2-O 3.24Å; T66-R68 WeakPolarHBondContact CG2-O 3.48Å; R68-L70 PolarHBondContact O-N 2.85Å; R68-E105 IonicContact CZ-OE1 2.62Å; R68-E105 PolarHBondContact NH1-O 3.35Å; R68-E105 IonicContact NH1-OE1 3.52Å; R68-E105 PolarHBondContact NH1-OE1 2.95Å; R68-E105 IonicContact NH2-OE1 2.79Å; R68-T106 HydrophobicContact CG-CG2 4.36Å; R68-T110 HydrophobicContact CG-CG2 4.06Å; R68-T119 PolarHBondContact NE-O 3.41Å; R68-T119 PolarHBondContact NH2-O 2.87Å; R68-T119 VanDerWaalsContact NH2-O 3.12Å; R68-P120 PolarHBondContact NH2-O 3.4Å; R68-P120 VanDerWaalsContact NH2-O 3.13Å; R68-I121 HydrophobicContact CB-CD1 4.37Å; R68-I121 HydrophobicContact CB-CG1 4.35Å |
| 69 | P | 90.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -56.2 | 131.7 | 170.3 | -23.7 | 34.2 | 0 | 0 | 0 | 110.4 | S117 P120 I121 D137 L138 M160 F164 | P69-S117 VanDerWaalsContact CD-O 3.25Å; P69-S117 WeakPolarHBondContact CD-O 3.24Å; P69-P120 HydrophobicContact CB-CB 4.16Å; P69-P120 CarbonylContact O-C 3.54Å; P69-P120 WeakPolarHBondContact O-CA 3.2Å; P69-I121 PolarHBondContact O-N 3.49Å; P69-D137 CarbonylContact C-O 3.57Å; P69-D137 WeakPolarHBondContact CA-O 3.46Å; P69-L138 HydrophobicContact CB-CD2 4Å; P69-L138 HydrophobicContact CG-CD2 4.26Å; P69-M160 VanDerWaalsContact CD-SD 3.55Å; P69-M160 HydrophobicContact CG-CG 3.87Å; P69-M160 HydrophobicContact CG-SD 3.5Å; P69-M160 WeakPolarHBondContact CG-SD 3.42Å; P69-F164 HydrophobicContact CB-CE2 3.85Å; P69-F164 HydrophobicContact CB-CZ 3.76Å; P69-F164 HydrophobicContact CG-CE2 3.69Å; P69-F164 HydrophobicContact CG-CZ 3.98Å | ||
| 70 | L | 92 | Very high | 82.5 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.1 | 173.1 | -178.5 | 72.9 | 0 | 0 | 0 | 108.8 | L58 R68 L72 I102 I121 L123 I136 D137 | L58-L70 HydrophobicContact CD2-CD2 3.18Å; R68-L70 PolarHBondContact O-N 2.85Å; L70-L72 PolarHBondContact O-N 2.89Å; L70-I102 HydrophobicContact CD1-CD1 4.38Å; L70-I102 HydrophobicContact CD1-CG1 4.38Å; L70-I102 HydrophobicContact CD2-CD1 4.14Å; L70-I121 HydrophobicContact CD1-CB 3.76Å; L70-I121 HydrophobicContact CD1-CG2 3.72Å; L70-L123 HydrophobicContact CD1-CB 4.14Å; L70-I136 CarbonylContact O-C 3.51Å; L70-I136 WeakPolarHBondContact O-CA 3.08Å; L70-D137 HydrophobicContact CB-CB 4.1Å; L70-D137 PolarHBondContact N-O 3.33Å; L70-D137 PolarHBondContact O-N 3.37Å |
| 71 | V | 89 | Confident | 83.2 | Confident | 15 Ų | 15 | 46 Ų | 46 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 102.8 | 173.7 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | Q73 P120 I121 N122 L123 T134 I136 | V71-Q73 HydrophobicContact CG1-CG 4.48Å; V71-P120 HydrophobicContact CG2-CB 3.83Å; V71-I121 PolarHBondContact N-O 3.26Å; V71-N122 WeakPolarHBondContact CB-OD1 3.34Å; V71-L123 PolarHBondContact O-N 2.83Å; V71-T134 HydrophobicContact CG1-CG2 3.67Å; V71-I136 HydrophobicContact CG2-CG1 4.48Å; V71-I136 HydrophobicContact CG2-CG2 4.46Å |
| 72 | L | 89.2 | Confident | 84 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 105.4 | -179 | 176.8 | 66.2 | 0 | 0 | 0 | 109.8 | V53 F57 L70 L74 L123 V125 T134 L135 | V53-L72 HydrophobicContact CG2-CD2 3.83Å; F57-L72 HydrophobicContact CE2-CD1 4.02Å; F57-L72 HydrophobicContact CE2-CD2 3.97Å; F57-L72 HydrophobicContact CZ-CD1 4.26Å; F57-L72 HydrophobicContact CZ-CD2 3.56Å; L70-L72 PolarHBondContact O-N 2.89Å; L72-L74 HydrophobicContact CD1-CD2 4.29Å; L72-L74 HydrophobicContact CD2-CD2 4.19Å; L72-L74 HydrophobicContact CG-CD2 4.09Å; L72-L74 HydrophobicContact CG-CG 4.31Å; L72-L123 CarbonylContact C-O 3.46Å; L72-L123 WeakPolarHBondContact CA-O 3.43Å; L72-L123 HydrophobicContact CD1-CB 4.38Å; L72-L123 HydrophobicContact CD1-CD2 3.88Å; L72-L123 HydrophobicContact CD1-CG 3.97Å; L72-V125 HydrophobicContact CD1-CB 4.35Å; L72-V125 HydrophobicContact CD1-CG2 3.6Å; L72-T134 WeakPolarHBondContact O-CA 3.49Å; L72-L135 WeakPolarHBondContact CA-O 3.46Å; L72-L135 HydrophobicContact CB-CB 4.27Å; L72-L135 WeakPolarHBondContact CB-O 3.22Å; L72-L135 HydrophobicContact CD2-CB 4.39Å; L72-L135 HydrophobicContact CD2-CD1 4.24Å; L72-L135 PolarHBondContact N-O 3.05Å; L72-L135 PolarHBondContact O-N 2.97Å |
| 73 | Q | 84.7 | Confident | 85 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 100.7 | 173.2 | -69 | -176.8 | -20.7 | 0 | 0 | 109 | V71 L123 R124 V125 T134 | V71-Q73 HydrophobicContact CG1-CG 4.48Å; Q73-L123 PolarHBondContact N-O 3.39Å; Q73-R124 HydrophobicContact CB-CG 3.9Å; Q73-R124 CarbonylContact O-C 3.53Å; Q73-R124 VanDerWaalsContact O-CA 3.28Å; Q73-R124 WeakPolarHBondContact O-CA 3.48Å; Q73-V125 PolarHBondContact O-N 2.81Å; Q73-T134 HydrophobicContact CG-CG2 4.32Å |
| 74 | L | 82 | Confident | 85.8 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.1 | 167.6 | -59.9 | 174.7 | 0 | 0 | 0 | 107.9 | V53 L72 V125 V130 L131 N132 L133 L135 | V53-L74 HydrophobicContact CB-CD2 4.5Å; V53-L74 HydrophobicContact CG1-CD2 4.29Å; V53-L74 HydrophobicContact CG2-CD1 4.37Å; V53-L74 HydrophobicContact CG2-CD2 3.63Å; L72-L74 HydrophobicContact CD1-CD2 4.29Å; L72-L74 HydrophobicContact CD2-CD2 4.19Å; L72-L74 HydrophobicContact CG-CD2 4.09Å; L72-L74 HydrophobicContact CG-CG 4.31Å; L74-V125 HydrophobicContact CD2-CB 4.04Å; L74-V125 HydrophobicContact CD2-CG1 4.37Å; L74-V130 HydrophobicContact CB-CB 3.94Å; L74-V130 HydrophobicContact CB-CG2 3.8Å; L74-V130 HydrophobicContact CD1-CB 4.33Å; L74-V130 HydrophobicContact CD1-CG1 4.5Å; L74-V130 HydrophobicContact CD2-CB 4.3Å; L74-V130 HydrophobicContact CD2-CG1 4.1Å; L74-V130 HydrophobicContact CD2-CG2 4.41Å; L74-V130 HydrophobicContact CG-CB 4.42Å; L74-L131 CarbonylContact C-O 3.59Å; L74-L131 WeakPolarHBondContact CB-O 3.24Å; L74-N132 CarbonylContact O-C 3.59Å; L74-N132 WeakPolarHBondContact O-CA 3.44Å; L74-L133 HydrophobicContact CB-CB 4.42Å; L74-L133 HydrophobicContact CD1-CB 4.48Å; L74-L133 PolarHBondContact N-O 2.79Å; L74-L133 PolarHBondContact O-N 3.45Å; L74-L135 HydrophobicContact CD1-CD1 3.68Å; L74-L135 HydrophobicContact CD1-CG 4.33Å; L74-L135 HydrophobicContact CG-CD1 4.5Å |
| 75 | I | 78.4 | Confident | 86.3 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 20% | 0.195 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125 | -179.9 | -59 | 173.3 | 0 | 0 | 0 | 108.1 | S77 R124 V125 Y126 S127 V130 N132 | I75-S77 PolarHBondContact O-N 2.91Å; I75-R124 HydrophobicContact CD1-CB 4.12Å; I75-R124 HydrophobicContact CD1-CG 3.96Å; I75-V125 PolarHBondContact N-O 2.77Å; I75-Y126 HydrophobicContact CB-CD1 3.78Å; I75-Y126 HydrophobicContact CB-CE1 3.96Å; I75-Y126 HydrophobicContact CB-CG 4.37Å; I75-Y126 HydrophobicContact CD1-CD1 4.27Å; I75-Y126 HydrophobicContact CD1-CE1 3.62Å; I75-Y126 HydrophobicContact CD1-CE2 4.27Å; I75-Y126 HydrophobicContact CG1-CE1 4.38Å; I75-Y126 HydrophobicContact CG2-CD1 3.65Å; I75-Y126 HydrophobicContact CG2-CE1 3.68Å; I75-Y126 CarbonylContact O-C 3.59Å; I75-Y126 VanDerWaalsContact O-CA 3.26Å; I75-Y126 WeakPolarHBondContact O-CA 3.41Å; I75-S127 PolarHBondContact O-N 2.87Å; I75-V130 WeakPolarHBondContact O-CG2 3.33Å; I75-N132 VanDerWaalsContact CA-OD1 3.24Å; I75-N132 WeakPolarHBondContact CA-OD1 3.17Å |
| 76 | N | 74.1 | Confident | 86.6 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122.3 | 174.1 | -165.3 | -69.1 | 0 | 0 | 0 | 109.5 | I11 S127 V130 N132 | I11-N76 HydrophobicContact CD1-CB 3.92Å; I11-N76 VanDerWaalsContact CD1-ND2 3.35Å; I11-N76 WeakPolarHBondContact CD1-ND2 3.35Å; I11-N76 HydrophobicContact CG2-CB 3.93Å; N76-S127 WeakPolarHBondContact CA-O 3.37Å; N76-V130 WeakPolarHBondContact CB-O 3.37Å; N76-V130 PolarHBondContact ND2-O 3.15Å; N76-N132 PolarHBondContact N-OD1 3.44Å |
| 77 | S | 79.8 | Confident | 86.7 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | trans | -148.4 | 153 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | I75 N79 S127 P128 | I75-S77 PolarHBondContact O-N 2.91Å; S77-N79 PolarHBondContact O-N 3.31Å; S77-N79 PolarHBondContact OG-N 2.83Å; S77-N79 PolarHBondContact OG-O 3.25Å; S77-S127 PolarHBondContact N-O 2.94Å; S77-S127 CarbonylContact O-C 3.51Å; S77-S127 VanDerWaalsContact O-C 3.23Å; S77-P128 WeakPolarHBondContact O-CA 3.47Å; S77-P128 WeakPolarHBondContact O-CB 3.31Å; S77-P128 WeakPolarHBondContact O-CD 3.37Å | ||
| 78 | R | 82.5 | Confident | 86.1 | Confident | 242 Ų | 242 | 51.2 Ų | 51.2 | 91% | 0.913 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -63.4 | -29.9 | 173.8 | -65.6 | -175.9 | -179.1 | 179.6 | 0.9 | 112.2 | ||
| 79 | N | 86.9 | Confident | 85.6 | Confident | 112 Ų | 112 | 58.1 Ų | 58.1 | 60% | 0.599 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -104 | 138.2 | -178 | -63 | -19.5 | 0 | 0 | 0 | 110.3 | S77 Y81 Y126 | S77-N79 PolarHBondContact O-N 3.31Å; S77-N79 PolarHBondContact OG-N 2.83Å; S77-N79 PolarHBondContact OG-O 3.25Å; N79-Y81 HydrophobicContact CB-CD1 4.12Å; N79-Y81 HydrophobicContact CB-CE1 4.29Å; N79-Y126 CarbonylContact O-C 3.59Å |
| 80 | E | 88.4 | Confident | 85.6 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | trans | -94.7 | 113.3 | 176.7 | -171.1 | 167.8 | -110.6 | 0 | 0 | 111 | R55 F95 Y126 S127 | R55-E80 IonicContact CZ-OE2 3.98Å; R55-E80 IonicContact NE-OE1 3.36Å; R55-E80 IonicContact NE-OE2 3.3Å; R55-E80 PolarHBondContact NE-OE2 3.44Å; R55-E80 IonicContact NH2-OE2 3.32Å; R55-E80 PolarHBondContact NH2-OE2 3.29Å; E80-F95 HydrophobicContact CG-CE2 4.08Å; E80-F95 HydrophobicContact CG-CZ 4.27Å; E80-Y126 CarbonylContact C-O 3.23Å; E80-Y126 WeakPolarHBondContact CA-O 3.3Å; E80-S127 PolarHBondContact OE1-OG 2.67Å | ||
| 81 | Y | 92.5 | Very high | 85.6 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 14% | 0.137 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 165.3 | 176.3 | 67.4 | -83 | 0 | 0 | 0 | 110.4 | N79 Q91 F92 Y126 | N79-Y81 HydrophobicContact CB-CD1 4.12Å; N79-Y81 HydrophobicContact CB-CE1 4.29Å; Y81-Q91 HydrophobicContact CD2-CB 4.01Å; Y81-Q91 HydrophobicContact CD2-CG 3.73Å; Y81-Q91 HydrophobicContact CE2-CG 3.91Å; Y81-F92 CarbonylContact C-O 3.48Å; Y81-F92 WeakPolarHBondContact CA-O 3.17Å; Y81-Y126 HydrophobicContact CD1-CD2 4.35Å; Y81-Y126 HydrophobicContact CD1-CG 4.18Å; Y81-Y126 AromaticContact CD2-CD2 3.69Å; Y81-Y126 HydrophobicContact CD2-CD2 3.69Å; Y81-Y126 HydrophobicContact CD2-CE2 4.32Å; Y81-Y126 HydrophobicContact CD2-CG 4.32Å; Y81-Y126 HydrophobicContact CE1-CD1 4.17Å; Y81-Y126 AromaticContact CE1-CD2 3.91Å; Y81-Y126 HydrophobicContact CE1-CD2 3.91Å; Y81-Y126 AromaticContact CE1-CG 3.59Å; Y81-Y126 HydrophobicContact CE1-CG 3.59Å; Y81-Y126 AromaticContact CE2-CD2 3.16Å; Y81-Y126 HydrophobicContact CE2-CD2 3.16Å; Y81-Y126 AromaticContact CE2-CE2 3.49Å; Y81-Y126 HydrophobicContact CE2-CE2 3.49Å; Y81-Y126 VanDerWaalsContact CE2-CE2 3.49Å; Y81-Y126 AromaticContact CE2-CG 3.78Å; Y81-Y126 HydrophobicContact CE2-CG 3.78Å; Y81-Y126 HydrophobicContact CG-CD2 4.26Å; Y81-Y126 AromaticContact CZ-CD1 3.86Å; Y81-Y126 AromaticContact CZ-CD2 3.29Å; Y81-Y126 AromaticContact CZ-CE2 3.72Å; Y81-Y126 AromaticContact CZ-CG 3.37Å; Y81-Y126 PolarHBondContact N-O 3.43Å; Y81-Y126 WeakPolarHBondContact O-CA 3.45Å; Y81-Y126 WeakPolarHBondContact O-CB 3.31Å; Y81-Y126 PolarHBondContact O-N 2.7Å; Y81-Y126 VanDerWaalsContact O-O 3.1Å |
| 82 | A | 92.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F92 V98 L123 R124 V125 | A82-F92 HydrophobicContact CB-CB 4.29Å; A82-F92 PolarHBondContact N-O 3.03Å; A82-F92 PolarHBondContact O-N 2.99Å; A82-V98 HydrophobicContact CB-CG2 3.75Å; A82-L123 HydrophobicContact CB-CD1 3.93Å; A82-R124 CarbonylContact C-O 3.56Å; A82-R124 WeakPolarHBondContact CA-O 3.47Å; A82-R124 WeakPolarHBondContact CB-O 3.37Å; A82-V125 HydrophobicContact CB-CG2 4.06Å |
| 83 | E | 91.6 | Very high | 86 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 132.5 | 177.1 | -175.5 | 179.9 | -173.1 | 0 | 0 | 109.6 | R124 Y126 | E83-R124 PolarHBondContact N-O 2.9Å; E83-R124 PolarHBondContact O-N 2.83Å; E83-Y126 HydrophobicContact CB-CE2 4.4Å |
| 84 | F | 91.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 144.3 | 172.2 | -70.9 | -87.5 | 0 | 0 | 0 | 111.1 | H86 C87 F92 V98 E101 I102 I121 L123 | F84-H86 VanDerWaalsContact CB-CE1 3.44Å; F84-H86 WeakPolarHBondContact CB-CE1 3.43Å; F84-H86 AromaticContact CD1-CE1 3.35Å; F84-H86 WeakPolarHBondContact CD1-CE1 3.14Å; F84-H86 AromaticContact CD1-ND1 3.94Å; F84-H86 AromaticContact CG-CE1 3.48Å; F84-H86 VanDerWaalsContact CG-CE1 3.48Å; F84-H86 WeakPolarHBondContact CG-CE1 3.27Å; F84-H86 PolarHBondContact O-N 2.93Å; F84-C87 HydrophobicContact CB-CB 4.14Å; F84-C87 CarbonylContact O-C 3.56Å; F84-C87 PolarHBondContact O-N 3.27Å; F84-F92 AromaticContact CD2-CD2 3.95Å; F84-F92 HydrophobicContact CD2-CD2 3.95Å; F84-F92 AromaticContact CD2-CE2 3.56Å; F84-F92 HydrophobicContact CD2-CE2 3.56Å; F84-F92 AromaticContact CD2-CZ 3.92Å; F84-F92 HydrophobicContact CD2-CZ 3.92Å; F84-F92 HydrophobicContact CE2-CD2 4.26Å; F84-F92 HydrophobicContact CE2-CE1 4.46Å; F84-F92 HydrophobicContact CE2-CE2 4.1Å; F84-F92 HydrophobicContact CE2-CZ 4.17Å; F84-V98 HydrophobicContact CE2-CB 4.41Å; F84-V98 HydrophobicContact CE2-CG1 4.02Å; F84-V98 HydrophobicContact CZ-CB 4.44Å; F84-V98 HydrophobicContact CZ-CG1 3.68Å; F84-E101 HydrophobicContact CD2-CB 4.45Å; F84-E101 HydrophobicContact CD2-CG 3.78Å; F84-E101 HydrophobicContact CE1-CG 4.49Å; F84-E101 HydrophobicContact CE2-CB 3.75Å; F84-E101 HydrophobicContact CE2-CG 3.56Å; F84-E101 HydrophobicContact CG-CG 4.33Å; F84-E101 HydrophobicContact CZ-CB 4Å; F84-E101 HydrophobicContact CZ-CG 3.94Å; F84-I102 HydrophobicContact CE1-CG1 3.68Å; F84-I102 HydrophobicContact CZ-CD1 4.37Å; F84-I102 HydrophobicContact CZ-CG1 3.69Å; F84-I121 HydrophobicContact CD1-CG2 3.89Å; F84-I121 HydrophobicContact CE1-CG2 3.92Å; F84-L123 HydrophobicContact CD1-CB 4.17Å; F84-L123 HydrophobicContact CD1-CD1 3.94Å; F84-L123 HydrophobicContact CD2-CD1 4.14Å; F84-L123 HydrophobicContact CE1-CB 4.03Å; F84-L123 HydrophobicContact CE1-CD1 3.73Å; F84-L123 HydrophobicContact CE1-CD2 4.26Å; F84-L123 HydrophobicContact CE1-CG 4.22Å; F84-L123 HydrophobicContact CE2-CD1 3.93Å; F84-L123 HydrophobicContact CG-CD1 4.16Å; F84-L123 HydrophobicContact CZ-CD1 3.72Å; F84-L123 HydrophobicContact CZ-CD2 4.31Å; F84-L123 HydrophobicContact CZ-CG 4.48Å |
| 85 | L | 85.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 53% | 0.534 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -62.2 | -32.9 | 176.1 | -173.7 | 63.7 | 0 | 0 | 0 | 112.9 | N122 | L85-N122 HydrophobicContact CB-CB 3.72Å; L85-N122 HydrophobicContact CD2-CB 3.98Å; L85-N122 PolarHBondContact N-O 3.13Å; L85-N122 VanDerWaalsContact N-O 3.08Å |
| 86 | H | 86.6 | Confident | 87.1 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 28% | 0.282 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -82.5 | -19.2 | 179.6 | 64 | -85.1 | 0 | 0 | 0 | 113.5 | F84 E101 E105 | F84-H86 VanDerWaalsContact CB-CE1 3.44Å; F84-H86 WeakPolarHBondContact CB-CE1 3.43Å; F84-H86 AromaticContact CD1-CE1 3.35Å; F84-H86 WeakPolarHBondContact CD1-CE1 3.14Å; F84-H86 AromaticContact CD1-ND1 3.94Å; F84-H86 AromaticContact CG-CE1 3.48Å; F84-H86 VanDerWaalsContact CG-CE1 3.48Å; F84-H86 WeakPolarHBondContact CG-CE1 3.27Å; F84-H86 PolarHBondContact O-N 2.93Å; H86-E101 IonicContact CD2-OE1 3.87Å; H86-E101 PolarHBondContact CD2-OE1 3.49Å; H86-E101 IonicContact CE1-OE1 2.63Å; H86-E101 IonicContact NE2-OE1 3.39Å; H86-E101 PolarHBondContact NE2-OE1 2.77Å; H86-E105 IonicContact CD2-OE2 3.33Å; H86-E105 IonicContact NE2-OE2 3.41Å |
| 87 | C | 87.1 | Confident | 88 | Confident | 28 Ų | 28 | 76.4 Ų | 76.4 | 19% | 0.189 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -107.3 | 63.4 | 176.1 | -70.7 | 0 | 0 | 0 | 0 | 110.7 | F84 N89 K90 F92 E101 | F84-C87 HydrophobicContact CB-CB 4.14Å; F84-C87 CarbonylContact O-C 3.56Å; F84-C87 PolarHBondContact O-N 3.27Å; C87-N89 PolarHBondContact O-N 3.37Å; C87-K90 HydrophobicContact CB-CB 4.33Å; C87-K90 PolarHBondContact O-N 3.28Å; C87-F92 HydrophobicContact CB-CE2 4.19Å; C87-F92 HydrophobicContact CB-CZ 4.44Å; C87-E101 PolarHBondContact SG-OE1 3.08Å |
| 88 | K | 74.9 | Confident | 88.7 | Confident | 166 Ų | 166 | 75.1 Ų | 75.1 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 133.6 | -178.2 | -64.8 | -175.5 | 179.3 | -179.1 | 0 | 111.6 | K90 | K88-K90 PolarHBondContact O-N 3.12Š|
| 89 | N | 78.9 | Confident | 89.1 | Confident | 156 Ų | 156 | 65.8 Ų | 65.8 | 83% | 0.834 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 10.2 | 177.5 | -49.7 | -38.2 | 0 | 0 | 0 | 115.9 | C87 | C87-N89 PolarHBondContact O-N 3.37Š|
| 90 | K | 90.4 | Very high | 89.4 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | trans | -101.6 | 112.2 | 172.4 | -172.3 | 177.7 | 173.7 | -169.8 | 0 | 109.9 | C87 K88 F92 | C87-K90 HydrophobicContact CB-CB 4.33Å; C87-K90 PolarHBondContact O-N 3.28Å; K88-K90 PolarHBondContact O-N 3.12Å; K90-F92 HydrophobicContact CB-CE2 4.11Å; K90-F92 HydrophobicContact CD-CE1 4.2Å; K90-F92 HydrophobicContact CD-CE2 3.82Å; K90-F92 HydrophobicContact CD-CZ 3.61Å; K90-F92 HydrophobicContact CG-CD2 4.27Å; K90-F92 HydrophobicContact CG-CE2 3.82Å; K90-F92 HydrophobicContact CG-CZ 4.14Å; K90-F92 WeakPolarHBondContact O-CD2 3.34Å | ||
| 91 | Q | 92.2 | Very high | 89.7 | Confident | 121 Ų | 121 | 65.5 Ų | 65.5 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.5 | 171.8 | -65.5 | -177.8 | -10.4 | 0 | 0 | 109.7 | Y81 | Y81-Q91 HydrophobicContact CD2-CB 4.01Å; Y81-Q91 HydrophobicContact CD2-CG 3.73Å; Y81-Q91 HydrophobicContact CE2-CG 3.91Å |
| 92 | F | 93.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 113.9 | 175.4 | -65.9 | -103.1 | 0 | 0 | 0 | 108.5 | Y81 A82 F84 C87 K90 E97 V98 E101 | Y81-F92 CarbonylContact C-O 3.48Å; Y81-F92 WeakPolarHBondContact CA-O 3.17Å; A82-F92 HydrophobicContact CB-CB 4.29Å; A82-F92 PolarHBondContact N-O 3.03Å; A82-F92 PolarHBondContact O-N 2.99Å; F84-F92 AromaticContact CD2-CD2 3.95Å; F84-F92 HydrophobicContact CD2-CD2 3.95Å; F84-F92 AromaticContact CD2-CE2 3.56Å; F84-F92 HydrophobicContact CD2-CE2 3.56Å; F84-F92 AromaticContact CD2-CZ 3.92Å; F84-F92 HydrophobicContact CD2-CZ 3.92Å; F84-F92 HydrophobicContact CE2-CD2 4.26Å; F84-F92 HydrophobicContact CE2-CE1 4.46Å; F84-F92 HydrophobicContact CE2-CE2 4.1Å; F84-F92 HydrophobicContact CE2-CZ 4.17Å; C87-F92 HydrophobicContact CB-CE2 4.19Å; C87-F92 HydrophobicContact CB-CZ 4.44Å; K90-F92 HydrophobicContact CB-CE2 4.11Å; K90-F92 HydrophobicContact CD-CE1 4.2Å; K90-F92 HydrophobicContact CD-CE2 3.82Å; K90-F92 HydrophobicContact CD-CZ 3.61Å; K90-F92 HydrophobicContact CG-CD2 4.27Å; K90-F92 HydrophobicContact CG-CE2 3.82Å; K90-F92 HydrophobicContact CG-CZ 4.14Å; K90-F92 WeakPolarHBondContact O-CD2 3.34Å; F92-E97 HydrophobicContact CD1-CB 3.82Å; F92-E97 HydrophobicContact CE1-CB 4.31Å; F92-V98 HydrophobicContact CB-CG2 3.59Å; F92-V98 HydrophobicContact CD1-CG2 4.39Å; F92-V98 HydrophobicContact CG-CG2 4.15Å; F92-E101 HydrophobicContact CE1-CB 4.14Å; F92-E101 HydrophobicContact CE1-CG 4.31Å; F92-E101 HydrophobicContact CZ-CB 4.34Å; F92-E101 HydrophobicContact CZ-CG 4Å |
| 93 | T | 91.8 | Very high | 89.7 | Confident | 111 Ų | 111 | 67.6 Ų | 67.6 | 68% | 0.681 | 33% | 0.33 | S | S | * | . | trans | -95.1 | -22.4 | 174.6 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 94 | D | 90.9 | Very high | 89.7 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | trans | -96.2 | 116.7 | 173.4 | -173.4 | -0.2 | 0 | 0 | 0 | 110.8 | D96 E97 V98 | D94-D96 PolarHBondContact O-N 3.37Å; D94-D96 WeakPolarHBondContact OD1-CB 3.46Å; D94-D96 PolarHBondContact OD1-N 2.82Å; D94-E97 HydrophobicContact CB-CB 4.47Å; D94-E97 HydrophobicContact CB-CG 4.11Å; D94-E97 WeakPolarHBondContact O-CB 3.41Å; D94-E97 PolarHBondContact O-N 3.44Å; D94-E97 VanDerWaalsContact O-N 3.11Å; D94-V98 PolarHBondContact O-N 3.26Å | ||
| 95 | F | 89.3 | Confident | 89.7 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72 | -16.3 | 178.4 | -75.2 | -92.2 | 0 | 0 | 0 | 113.1 | R55 F57 E80 E97 V98 R99 V125 | R55-F95 HydrophobicContact CB-CD1 4.09Å; R55-F95 HydrophobicContact CB-CD2 4.36Å; R55-F95 HydrophobicContact CB-CE1 4.34Å; R55-F95 HydrophobicContact CB-CG 4.08Å; R55-F95 HydrophobicContact CG-CD1 4.47Å; R55-F95 HydrophobicContact CG-CD2 4.09Å; R55-F95 HydrophobicContact CG-CE1 4.39Å; R55-F95 HydrophobicContact CG-CE2 4.01Å; R55-F95 HydrophobicContact CG-CG 4.32Å; R55-F95 HydrophobicContact CG-CZ 4.15Å; F57-F95 HydrophobicContact CB-CB 4.12Å; F57-F95 HydrophobicContact CB-CD1 3.76Å; F57-F95 HydrophobicContact CB-CG 4.42Å; F57-F95 HydrophobicContact CD1-CD1 4.38Å; F57-F95 HydrophobicContact CG-CD1 4.2Å; E80-F95 HydrophobicContact CG-CE2 4.08Å; E80-F95 HydrophobicContact CG-CZ 4.27Å; F95-E97 VanDerWaalsContact C-N 3.32Å; F95-V98 HydrophobicContact CD1-CG2 4.34Å; F95-V98 PolarHBondContact O-N 3.42Å; F95-R99 PolarHBondContact O-N 2.77Å; F95-R99 VanDerWaalsContact O-N 3.1Å; F95-V125 HydrophobicContact CE1-CG1 3.81Å; F95-V125 HydrophobicContact CE1-CG2 4.2Å; F95-V125 HydrophobicContact CZ-CG1 3.84Å |
| 96 | D | 89.5 | Confident | 89.9 | Confident | 64 Ų | 64 | 64.1 Ų | 64.1 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 167.1 | -79.2 | -32.8 | 0 | 0 | 0 | 111.3 | D94 R99 K100 | D94-D96 PolarHBondContact O-N 3.37Å; D94-D96 WeakPolarHBondContact OD1-CB 3.46Å; D94-D96 PolarHBondContact OD1-N 2.82Å; D96-R99 PolarHBondContact O-N 3.24Å; D96-R99 IonicContact OD1-CZ 2.78Å; D96-R99 IonicContact OD1-NH1 2.66Å; D96-R99 PolarHBondContact OD1-NH1 2.97Å; D96-R99 IonicContact OD1-NH2 3.98Å; D96-R99 PolarHBondContact OD1-NH2 3.4Å; D96-K100 WeakPolarHBondContact O-CG 3.35Å; D96-K100 PolarHBondContact O-N 3.45Å |
| 97 | E | 92.7 | Very high | 90.1 | Very high | 88 Ų | 88 | 64.1 Ų | 64.1 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.6 | -38 | 173.6 | -67.1 | -168 | 176.6 | 0 | 0 | 111.7 | F92 D94 F95 R99 K100 E101 | F92-E97 HydrophobicContact CD1-CB 3.82Å; F92-E97 HydrophobicContact CE1-CB 4.31Å; D94-E97 HydrophobicContact CB-CB 4.47Å; D94-E97 HydrophobicContact CB-CG 4.11Å; D94-E97 WeakPolarHBondContact O-CB 3.41Å; D94-E97 PolarHBondContact O-N 3.44Å; D94-E97 VanDerWaalsContact O-N 3.11Å; F95-E97 VanDerWaalsContact C-N 3.32Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 3.38Å; E97-K100 PolarHBondContact O-N 3.22Å; E97-E101 WeakPolarHBondContact O-CB 3.21Å; E97-E101 PolarHBondContact O-N 3.15Å |
| 98 | V | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57 | -45.4 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | F57 A82 F84 F92 D94 F95 E101 I102 L123 | F57-V98 HydrophobicContact CB-CB 4.39Å; F57-V98 HydrophobicContact CB-CG1 4.11Å; F57-V98 HydrophobicContact CD2-CG1 4.31Å; A82-V98 HydrophobicContact CB-CG2 3.75Å; F84-V98 HydrophobicContact CE2-CB 4.41Å; F84-V98 HydrophobicContact CE2-CG1 4.02Å; F84-V98 HydrophobicContact CZ-CB 4.44Å; F84-V98 HydrophobicContact CZ-CG1 3.68Å; F92-V98 HydrophobicContact CB-CG2 3.59Å; F92-V98 HydrophobicContact CD1-CG2 4.39Å; F92-V98 HydrophobicContact CG-CG2 4.15Å; D94-V98 PolarHBondContact O-N 3.26Å; F95-V98 HydrophobicContact CD1-CG2 4.34Å; F95-V98 PolarHBondContact O-N 3.42Å; V98-E101 PolarHBondContact O-N 2.82Å; V98-I102 HydrophobicContact CG1-CD1 4.17Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 3.42Å; V98-L123 HydrophobicContact CG1-CD1 4.08Å; V98-L123 HydrophobicContact CG1-CD2 3.63Å |
| 99 | R | 92.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 67 Ų | 67 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 177.1 | -169.9 | -171.3 | -41.3 | 99.2 | 12.3 | 112.7 | D56 F57 F95 D96 E97 E101 I102 E103 | D56-R99 PolarHBondContact O-NH2 3.47Å; F57-R99 WeakPolarHBondContact O-CA 3.29Å; F57-R99 WeakPolarHBondContact O-CB 3.24Å; F95-R99 PolarHBondContact O-N 2.77Å; F95-R99 VanDerWaalsContact O-N 3.1Å; D96-R99 PolarHBondContact O-N 3.24Å; D96-R99 IonicContact OD1-CZ 2.78Å; D96-R99 IonicContact OD1-NH1 2.66Å; D96-R99 PolarHBondContact OD1-NH1 2.97Å; D96-R99 IonicContact OD1-NH2 3.98Å; D96-R99 PolarHBondContact OD1-NH2 3.4Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 3.38Å; R99-E101 VanDerWaalsContact C-N 3.25Å; R99-E101 PolarHBondContact O-N 2.67Å; R99-I102 PolarHBondContact O-N 2.84Å; R99-E103 PolarHBondContact O-N 3.06Å |
| 100 | K | 92.8 | Very high | 91 | Very high | 134 Ų | 134 | 60.6 Ų | 60.6 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.8 | -36.6 | 179.3 | -70.6 | 172.9 | -175.9 | 171.1 | 0 | 111.4 | D96 E97 E103 A104 | D96-K100 WeakPolarHBondContact O-CG 3.35Å; D96-K100 PolarHBondContact O-N 3.45Å; E97-K100 PolarHBondContact O-N 3.22Å; K100-E103 PolarHBondContact O-N 3.01Å; K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.35Å; K100-A104 PolarHBondContact O-N 2.9Å |
| 101 | E | 94.3 | Very high | 90.6 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 175.9 | -176.5 | 59.8 | -148.4 | 0 | 0 | 111.7 | F84 H86 C87 F92 E97 V98 R99 E103 A104 E105 | F84-E101 HydrophobicContact CD2-CB 4.45Å; F84-E101 HydrophobicContact CD2-CG 3.78Å; F84-E101 HydrophobicContact CE1-CG 4.49Å; F84-E101 HydrophobicContact CE2-CB 3.75Å; F84-E101 HydrophobicContact CE2-CG 3.56Å; F84-E101 HydrophobicContact CG-CG 4.33Å; F84-E101 HydrophobicContact CZ-CB 4Å; F84-E101 HydrophobicContact CZ-CG 3.94Å; H86-E101 IonicContact CD2-OE1 3.87Å; H86-E101 PolarHBondContact CD2-OE1 3.49Å; H86-E101 IonicContact CE1-OE1 2.63Å; H86-E101 IonicContact NE2-OE1 3.39Å; H86-E101 PolarHBondContact NE2-OE1 2.77Å; C87-E101 PolarHBondContact SG-OE1 3.08Å; F92-E101 HydrophobicContact CE1-CB 4.14Å; F92-E101 HydrophobicContact CE1-CG 4.31Å; F92-E101 HydrophobicContact CZ-CB 4.34Å; F92-E101 HydrophobicContact CZ-CG 4Å; E97-E101 WeakPolarHBondContact O-CB 3.21Å; E97-E101 PolarHBondContact O-N 3.15Å; V98-E101 PolarHBondContact O-N 2.82Å; R99-E101 VanDerWaalsContact C-N 3.25Å; R99-E101 PolarHBondContact O-N 2.67Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 2.7Å; E101-A104 PolarHBondContact O-N 3.43Å; E101-E105 WeakPolarHBondContact O-CB 3.21Å; E101-E105 PolarHBondContact O-N 2.89Å |
| 102 | I | 92.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 173.7 | -66.9 | 161.9 | 0 | 0 | 0 | 110.5 | F57 L58 P59 L70 F84 V98 R99 T106 I121 L123 | F57-I102 HydrophobicContact CD2-CD1 4.37Å; F57-I102 WeakPolarHBondContact O-CD1 3.32Å; L58-I102 HydrophobicContact CD2-CD1 4.36Å; P59-I102 HydrophobicContact CG-CB 4.06Å; P59-I102 HydrophobicContact CG-CG2 3.58Å; L70-I102 HydrophobicContact CD1-CD1 4.38Å; L70-I102 HydrophobicContact CD1-CG1 4.38Å; L70-I102 HydrophobicContact CD2-CD1 4.14Å; F84-I102 HydrophobicContact CE1-CG1 3.68Å; F84-I102 HydrophobicContact CZ-CD1 4.37Å; F84-I102 HydrophobicContact CZ-CG1 3.69Å; V98-I102 HydrophobicContact CG1-CD1 4.17Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 3.42Å; R99-I102 PolarHBondContact O-N 2.84Å; I102-T106 VanDerWaalsContact O-CB 3.24Å; I102-T106 WeakPolarHBondContact O-CB 3.41Å; I102-T106 PolarHBondContact O-N 2.75Å; I102-T106 PolarHBondContact O-OG1 2.88Å; I102-I121 HydrophobicContact CG2-CD1 4.24Å; I102-L123 HydrophobicContact CD1-CD2 4.17Å |
| 103 | E | 91.5 | Very high | 88.7 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -50.8 | 176.9 | -69 | 172.3 | 178.2 | 0 | 0 | 111 | P59 R99 K100 E101 E105 T106 D107 | P59-E103 HydrophobicContact CB-CG 3.69Å; P59-E103 WeakPolarHBondContact CB-OE1 3.16Å; P59-E103 HydrophobicContact CG-CG 3.68Å; R99-E103 PolarHBondContact O-N 3.06Å; K100-E103 PolarHBondContact O-N 3.01Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 2.7Å; E103-E105 PolarHBondContact O-N 2.72Å; E103-T106 WeakPolarHBondContact O-CB 3.24Å; E103-T106 PolarHBondContact O-N 3.41Å; E103-D107 PolarHBondContact O-N 2.74Å |
| 104 | A | 91.9 | Very high | 87.8 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K100 E101 T106 D107 R108 | K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.35Å; K100-A104 PolarHBondContact O-N 2.9Å; E101-A104 PolarHBondContact O-N 3.43Å; A104-T106 VanDerWaalsContact C-N 3.33Å; A104-D107 PolarHBondContact O-N 2.83Å; A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.45Å; A104-R108 PolarHBondContact O-N 2.84Å |
| 105 | E | 91.8 | Very high | 87.2 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.5 | -31 | 177.1 | 176.4 | 55.7 | -156.3 | 0 | 0 | 112 | R68 H86 E101 E103 R108 I121 | R68-E105 IonicContact CZ-OE1 2.62Å; R68-E105 PolarHBondContact NH1-O 3.35Å; R68-E105 IonicContact NH1-OE1 3.52Å; R68-E105 PolarHBondContact NH1-OE1 2.95Å; R68-E105 IonicContact NH2-OE1 2.79Å; H86-E105 IonicContact CD2-OE2 3.33Å; H86-E105 IonicContact NE2-OE2 3.41Å; E101-E105 WeakPolarHBondContact O-CB 3.21Å; E101-E105 PolarHBondContact O-N 2.89Å; E103-E105 PolarHBondContact O-N 2.72Å; E105-R108 WeakPolarHBondContact OE2-CD 3.44Å; E105-R108 IonicContact OE2-CZ 3.03Å; E105-R108 VanDerWaalsContact OE2-CZ 3.25Å; E105-R108 IonicContact OE2-NE 3Å; E105-R108 IonicContact OE2-NH1 2.95Å; E105-R108 PolarHBondContact OE2-NH1 2.75Å; E105-I121 HydrophobicContact CB-CD1 4.36Å; E105-I121 HydrophobicContact CG-CD1 4.06Å; E105-I121 HydrophobicContact CG-CG1 4.13Å |
| 106 | T | 90.9 | Very high | 87 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -54 | 171.4 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | R67 R68 I102 E103 A104 R108 L109 T110 I121 | R67-T106 HydrophobicContact CB-CG2 3.74Å; R68-T106 HydrophobicContact CG-CG2 4.36Å; I102-T106 VanDerWaalsContact O-CB 3.24Å; I102-T106 WeakPolarHBondContact O-CB 3.41Å; I102-T106 PolarHBondContact O-N 2.75Å; I102-T106 PolarHBondContact O-OG1 2.88Å; E103-T106 WeakPolarHBondContact O-CB 3.24Å; E103-T106 PolarHBondContact O-N 3.41Å; A104-T106 VanDerWaalsContact C-N 3.33Å; T106-R108 VanDerWaalsContact C-N 3.26Å; T106-R108 PolarHBondContact O-N 2.88Å; T106-L109 PolarHBondContact O-N 2.67Å; T106-T110 PolarHBondContact O-N 3.48Å; T106-T110 PolarHBondContact O-OG1 3.48Å; T106-I121 WeakPolarHBondContact OG1-CD1 3.24Å |
| 107 | D | 90.5 | Very high | 86.8 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -32.2 | -179.7 | -76.6 | -31.5 | 0 | 0 | 0 | 112.9 | R67 E103 A104 L109 G111 | R67-D107 IonicContact CZ-OD1 2.59Å; R67-D107 IonicContact NH1-OD1 3.17Å; R67-D107 PolarHBondContact NH1-OD1 3.35Å; R67-D107 IonicContact NH2-OD1 2.84Å; R67-D107 PolarHBondContact NH2-OD1 2.87Å; R67-D107 IonicContact NH2-OD2 3.46Å; E103-D107 PolarHBondContact O-N 2.74Å; A104-D107 PolarHBondContact O-N 2.83Å; D107-L109 PolarHBondContact O-N 2.92Å; D107-G111 WeakPolarHBondContact O-CA 3.2Å; D107-G111 PolarHBondContact O-N 2.86Å |
| 108 | R | 90 | Very high | 86.4 | Confident | 162 Ų | 162 | 54.7 Ų | 54.7 | 61% | 0.611 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.5 | -37.2 | 176.5 | -173.2 | -178.4 | -63.3 | 161.1 | 0.3 | 112.6 | A104 E105 T106 | A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.45Å; A104-R108 PolarHBondContact O-N 2.84Å; E105-R108 WeakPolarHBondContact OE2-CD 3.44Å; E105-R108 IonicContact OE2-CZ 3.03Å; E105-R108 VanDerWaalsContact OE2-CZ 3.25Å; E105-R108 IonicContact OE2-NE 3Å; E105-R108 IonicContact OE2-NH1 2.95Å; E105-R108 PolarHBondContact OE2-NH1 2.75Å; T106-R108 VanDerWaalsContact C-N 3.26Å; T106-R108 PolarHBondContact O-N 2.88Å |
| 109 | L | 85.5 | Confident | 86 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -99.4 | -40.3 | -176.6 | -167.8 | 70.8 | 0 | 0 | 0 | 112.9 | T106 D107 S117 T119 | T106-L109 PolarHBondContact O-N 2.67Å; D107-L109 PolarHBondContact O-N 2.92Å; L109-S117 WeakPolarHBondContact CD2-OG 3.47Å; L109-T119 HydrophobicContact CD2-CG2 4.42Å |
| 110 | T | 84.8 | Confident | 85.7 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 13% | 0.129 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -95 | -7.2 | -174.9 | 65 | 0 | 0 | 0 | 0 | 113.6 | R67 R68 T106 G115 | R67-T110 PolarHBondContact NH1-OG1 3.44Å; R68-T110 HydrophobicContact CG-CG2 4.06Å; T106-T110 PolarHBondContact O-N 3.48Å; T106-T110 PolarHBondContact O-OG1 3.48Å; T110-G115 VanDerWaalsContact CB-O 3.24Å; T110-G115 WeakPolarHBondContact CB-O 3.37Å; T110-G115 PolarHBondContact OG1-O 3.37Å |
| 111 | G | 80.7 | Confident | 85.6 | Confident | 30 Ų | 30 | 52 Ų | 52 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 174.9 | -170 | 0 | 0 | 0 | 0 | 0 | 112.5 | R67 D107 N113 | R67-G111 PolarHBondContact NH1-O 2.99Å; D107-G111 WeakPolarHBondContact O-CA 3.2Å; D107-G111 PolarHBondContact O-N 2.86Å; G111-N113 PolarHBondContact O-N 3.02Å |
| 112 | S | 74.9 | Confident | 85.4 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 67% | 0.671 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -9.6 | 174.6 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | K114 | S112-K114 PolarHBondContact O-N 2.93Š|
| 113 | N | 71.4 | Confident | 85.3 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 31.9 | -168.6 | -62.9 | -1.2 | 0 | 0 | 0 | 113.4 | G111 G115 D148 | G111-N113 PolarHBondContact O-N 3.02Å; N113-G115 PolarHBondContact O-N 2.93Å; N113-D148 HydrophobicContact CB-CB 4.36Å |
| 114 | K | 71.4 | Confident | 85.2 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 22.2 | 178.2 | -55.8 | 180 | -179.9 | 175.6 | 0 | 115.5 | S112 Q149 | S112-K114 PolarHBondContact O-N 2.93Å; K114-Q149 HydrophobicContact CB-CG 4.02Å |
| 115 | G | 78.4 | Confident | 85 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 22% | 0.216 | 28% | 0.279 | C | S | . | . | trans | -63.9 | 158 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | R67 T110 N113 | R67-G115 WeakPolarHBondContact CB-O 3.31Å; R67-G115 WeakPolarHBondContact CD-O 3.35Å; T110-G115 VanDerWaalsContact CB-O 3.24Å; T110-G115 WeakPolarHBondContact CB-O 3.37Å; T110-G115 PolarHBondContact OG1-O 3.37Å; N113-G115 PolarHBondContact O-N 2.93Å | ||
| 116 | I | 85.7 | Confident | 84.8 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | trans | -116.7 | 159.4 | 173.9 | 61.9 | 169.1 | 0 | 0 | 0 | 110.2 | R67 I153 Q156 I157 M160 | R67-I116 HydrophobicContact CB-CG2 4.27Å; R67-I116 HydrophobicContact CG-CG2 4.42Å; R67-I116 VanDerWaalsContact O-CA 3.28Å; R67-I116 WeakPolarHBondContact O-CA 3.34Å; R67-I116 WeakPolarHBondContact O-CB 3.43Å; I116-I153 HydrophobicContact CB-CD1 4.49Å; I116-I153 HydrophobicContact CD1-CD1 3.49Å; I116-I153 VanDerWaalsContact CD1-CD1 3.49Å; I116-I153 HydrophobicContact CG1-CD1 3.73Å; I116-I153 HydrophobicContact CG2-CD1 3.99Å; I116-Q156 HydrophobicContact CD1-CB 3.69Å; I116-I157 HydrophobicContact CD1-CG1 3.6Å; I116-M160 HydrophobicContact CB-CE 4.19Å; I116-M160 HydrophobicContact CD1-CE 3.99Å; I116-M160 HydrophobicContact CG1-CE 4.37Å | ||
| 117 | S | 85.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 52 Ų | 52 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | trans | -145.4 | 139.2 | 173.9 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | R67 P69 L109 T119 M160 | R67-S117 PolarHBondContact O-N 3.17Å; R67-S117 VanDerWaalsContact O-N 3.12Å; P69-S117 VanDerWaalsContact CD-O 3.25Å; P69-S117 WeakPolarHBondContact CD-O 3.24Å; L109-S117 WeakPolarHBondContact CD2-OG 3.47Å; S117-T119 PolarHBondContact O-N 3.08Å; S117-T119 PolarHBondContact OG-N 2.8Å; S117-T119 VanDerWaalsContact OG-N 3.17Å; S117-T119 PolarHBondContact OG-OG1 2.83Å; S117-M160 WeakPolarHBondContact O-CE 3.24Å | ||
| 118 | N | 83.9 | Confident | 83.6 | Confident | 69 Ų | 69 | 52.1 Ų | 52.1 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -72.7 | -11.1 | 176.6 | -64.7 | 12 | 0 | 0 | 0 | 112.2 | P120 M160 | N118-P120 VanDerWaalsContact O-CD 3.28Å; N118-P120 WeakPolarHBondContact O-CD 3.44Å; N118-M160 HydrophobicContact CB-CG 4.43Å; N118-M160 WeakPolarHBondContact OD1-CE 3.32Å |
| 119 | T | 85.1 | Confident | 82.5 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 47% | 0.466 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -71.2 | 114.6 | 179.3 | -50.5 | 0 | 0 | 0 | 0 | 110.4 | R68 L109 S117 | R68-T119 PolarHBondContact NE-O 3.41Å; R68-T119 PolarHBondContact NH2-O 2.87Å; R68-T119 VanDerWaalsContact NH2-O 3.12Å; L109-T119 HydrophobicContact CD2-CG2 4.42Å; S117-T119 PolarHBondContact O-N 3.08Å; S117-T119 PolarHBondContact OG-N 2.8Å; S117-T119 VanDerWaalsContact OG-N 3.17Å; S117-T119 PolarHBondContact OG-OG1 2.83Å |
| 120 | P | 86.5 | Confident | 81.7 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 156.6 | -175.1 | 28.3 | -34.7 | 0 | 0 | 0 | 112.4 | R68 P69 V71 N118 | R68-P120 PolarHBondContact NH2-O 3.4Å; R68-P120 VanDerWaalsContact NH2-O 3.13Å; P69-P120 HydrophobicContact CB-CB 4.16Å; P69-P120 CarbonylContact O-C 3.54Å; P69-P120 WeakPolarHBondContact O-CA 3.2Å; V71-P120 HydrophobicContact CG2-CB 3.83Å; N118-P120 VanDerWaalsContact O-CD 3.28Å; N118-P120 WeakPolarHBondContact O-CD 3.44Å |
| 121 | I | 90.4 | Very high | 80.6 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 125 | 162 | -60 | 174.8 | 0 | 0 | 0 | 106.6 | R68 P69 L70 V71 F84 I102 E105 T106 | R68-I121 HydrophobicContact CB-CD1 4.37Å; R68-I121 HydrophobicContact CB-CG1 4.35Å; P69-I121 PolarHBondContact O-N 3.49Å; L70-I121 HydrophobicContact CD1-CB 3.76Å; L70-I121 HydrophobicContact CD1-CG2 3.72Å; V71-I121 PolarHBondContact N-O 3.26Å; F84-I121 HydrophobicContact CD1-CG2 3.89Å; F84-I121 HydrophobicContact CE1-CG2 3.92Å; I102-I121 HydrophobicContact CG2-CD1 4.24Å; E105-I121 HydrophobicContact CB-CD1 4.36Å; E105-I121 HydrophobicContact CG-CD1 4.06Å; E105-I121 HydrophobicContact CG-CG1 4.13Å; T106-I121 WeakPolarHBondContact OG1-CD1 3.24Å |
| 122 | N | 89.3 | Confident | 79.9 | Confident | 49 Ų | 49 | 45.4 Ų | 45.4 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 117.6 | 178.9 | -68.9 | -73 | 0 | 0 | 0 | 109.4 | V71 L85 | V71-N122 WeakPolarHBondContact CB-OD1 3.34Å; L85-N122 HydrophobicContact CB-CB 3.72Å; L85-N122 HydrophobicContact CD2-CB 3.98Å; L85-N122 PolarHBondContact N-O 3.13Å; L85-N122 VanDerWaalsContact N-O 3.08Å |
| 123 | L | 90.3 | Very high | 79.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.8 | -179.4 | 173.9 | 59 | 0 | 0 | 0 | 109.3 | F57 L70 V71 L72 Q73 A82 F84 V98 I102 V125 | F57-L123 HydrophobicContact CD2-CD2 3.97Å; F57-L123 HydrophobicContact CE2-CD2 4.09Å; L70-L123 HydrophobicContact CD1-CB 4.14Å; V71-L123 PolarHBondContact O-N 2.83Å; L72-L123 CarbonylContact C-O 3.46Å; L72-L123 WeakPolarHBondContact CA-O 3.43Å; L72-L123 HydrophobicContact CD1-CB 4.38Å; L72-L123 HydrophobicContact CD1-CD2 3.88Å; L72-L123 HydrophobicContact CD1-CG 3.97Å; Q73-L123 PolarHBondContact N-O 3.39Å; A82-L123 HydrophobicContact CB-CD1 3.93Å; F84-L123 HydrophobicContact CD1-CB 4.17Å; F84-L123 HydrophobicContact CD1-CD1 3.94Å; F84-L123 HydrophobicContact CD2-CD1 4.14Å; F84-L123 HydrophobicContact CE1-CB 4.03Å; F84-L123 HydrophobicContact CE1-CD1 3.73Å; F84-L123 HydrophobicContact CE1-CD2 4.26Å; F84-L123 HydrophobicContact CE1-CG 4.22Å; F84-L123 HydrophobicContact CE2-CD1 3.93Å; F84-L123 HydrophobicContact CG-CD1 4.16Å; F84-L123 HydrophobicContact CZ-CD1 3.72Å; F84-L123 HydrophobicContact CZ-CD2 4.31Å; F84-L123 HydrophobicContact CZ-CG 4.48Å; V98-L123 HydrophobicContact CG1-CD1 4.08Å; V98-L123 HydrophobicContact CG1-CD2 3.63Å; I102-L123 HydrophobicContact CD1-CD2 4.17Å; L123-V125 HydrophobicContact CD1-CG2 4.4Å; L123-V125 HydrophobicContact CD2-CG2 4.21Å; L123-V125 HydrophobicContact CG-CG2 4.02Å |
| 124 | R | 89 | Confident | 80.2 | Confident | 99 Ų | 99 | 38.9 Ų | 38.9 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.8 | 169.5 | -71.7 | 174.2 | 179.2 | 169.6 | 1 | 109.2 | Q73 I75 A82 E83 Y126 | Q73-R124 HydrophobicContact CB-CG 3.9Å; Q73-R124 CarbonylContact O-C 3.53Å; Q73-R124 VanDerWaalsContact O-CA 3.28Å; Q73-R124 WeakPolarHBondContact O-CA 3.48Å; I75-R124 HydrophobicContact CD1-CB 4.12Å; I75-R124 HydrophobicContact CD1-CG 3.96Å; A82-R124 CarbonylContact C-O 3.56Å; A82-R124 WeakPolarHBondContact CA-O 3.47Å; A82-R124 WeakPolarHBondContact CB-O 3.37Å; E83-R124 PolarHBondContact N-O 2.9Å; E83-R124 PolarHBondContact O-N 2.83Å; R124-Y126 HydrophobicContact CB-CD2 4.43Å; R124-Y126 HydrophobicContact CB-CE2 3.78Å |
| 125 | V | 88.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 108.9 | 173.5 | 175.5 | 0 | 0 | 0 | 0 | 107.9 | V53 L72 Q73 L74 I75 A82 F95 L123 | V53-V125 HydrophobicContact CG1-CG1 4.28Å; L72-V125 HydrophobicContact CD1-CB 4.35Å; L72-V125 HydrophobicContact CD1-CG2 3.6Å; Q73-V125 PolarHBondContact O-N 2.81Å; L74-V125 HydrophobicContact CD2-CB 4.04Å; L74-V125 HydrophobicContact CD2-CG1 4.37Å; I75-V125 PolarHBondContact N-O 2.77Å; A82-V125 HydrophobicContact CB-CG2 4.06Å; F95-V125 HydrophobicContact CE1-CG1 3.81Å; F95-V125 HydrophobicContact CE1-CG2 4.2Å; F95-V125 HydrophobicContact CZ-CG1 3.84Å; L123-V125 HydrophobicContact CD1-CG2 4.4Å; L123-V125 HydrophobicContact CD2-CG2 4.21Å; L123-V125 HydrophobicContact CG-CG2 4.02Å |
| 126 | Y | 87 | Confident | 81.4 | Confident | 34 Ų | 34 | 34 Ų | 34 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.8 | 172.1 | -62.4 | -93.6 | 0 | 0 | 0 | 107.7 | I75 N79 E80 Y81 E83 R124 | I75-Y126 HydrophobicContact CB-CD1 3.78Å; I75-Y126 HydrophobicContact CB-CE1 3.96Å; I75-Y126 HydrophobicContact CB-CG 4.37Å; I75-Y126 HydrophobicContact CD1-CD1 4.27Å; I75-Y126 HydrophobicContact CD1-CE1 3.62Å; I75-Y126 HydrophobicContact CD1-CE2 4.27Å; I75-Y126 HydrophobicContact CG1-CE1 4.38Å; I75-Y126 HydrophobicContact CG2-CD1 3.65Å; I75-Y126 HydrophobicContact CG2-CE1 3.68Å; I75-Y126 CarbonylContact O-C 3.59Å; I75-Y126 VanDerWaalsContact O-CA 3.26Å; I75-Y126 WeakPolarHBondContact O-CA 3.41Å; N79-Y126 CarbonylContact O-C 3.59Å; E80-Y126 CarbonylContact C-O 3.23Å; E80-Y126 WeakPolarHBondContact CA-O 3.3Å; Y81-Y126 HydrophobicContact CD1-CD2 4.35Å; Y81-Y126 HydrophobicContact CD1-CG 4.18Å; Y81-Y126 AromaticContact CD2-CD2 3.69Å; Y81-Y126 HydrophobicContact CD2-CD2 3.69Å; Y81-Y126 HydrophobicContact CD2-CE2 4.32Å; Y81-Y126 HydrophobicContact CD2-CG 4.32Å; Y81-Y126 HydrophobicContact CE1-CD1 4.17Å; Y81-Y126 AromaticContact CE1-CD2 3.91Å; Y81-Y126 HydrophobicContact CE1-CD2 3.91Å; Y81-Y126 AromaticContact CE1-CG 3.59Å; Y81-Y126 HydrophobicContact CE1-CG 3.59Å; Y81-Y126 AromaticContact CE2-CD2 3.16Å; Y81-Y126 HydrophobicContact CE2-CD2 3.16Å; Y81-Y126 AromaticContact CE2-CE2 3.49Å; Y81-Y126 HydrophobicContact CE2-CE2 3.49Å; Y81-Y126 VanDerWaalsContact CE2-CE2 3.49Å; Y81-Y126 AromaticContact CE2-CG 3.78Å; Y81-Y126 HydrophobicContact CE2-CG 3.78Å; Y81-Y126 HydrophobicContact CG-CD2 4.26Å; Y81-Y126 AromaticContact CZ-CD1 3.86Å; Y81-Y126 AromaticContact CZ-CD2 3.29Å; Y81-Y126 AromaticContact CZ-CE2 3.72Å; Y81-Y126 AromaticContact CZ-CG 3.37Å; Y81-Y126 PolarHBondContact N-O 3.43Å; Y81-Y126 WeakPolarHBondContact O-CA 3.45Å; Y81-Y126 WeakPolarHBondContact O-CB 3.31Å; Y81-Y126 PolarHBondContact O-N 2.7Å; Y81-Y126 VanDerWaalsContact O-O 3.1Å; E83-Y126 HydrophobicContact CB-CE2 4.4Å; R124-Y126 HydrophobicContact CB-CD2 4.43Å; R124-Y126 HydrophobicContact CB-CE2 3.78Å |
| 127 | S | 81.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 146.8 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | I75 N76 S77 E80 N129 | I75-S127 PolarHBondContact O-N 2.87Å; N76-S127 WeakPolarHBondContact CA-O 3.37Å; S77-S127 PolarHBondContact N-O 2.94Å; S77-S127 CarbonylContact O-C 3.51Å; S77-S127 VanDerWaalsContact O-C 3.23Å; E80-S127 PolarHBondContact OE1-OG 2.67Å; S127-N129 PolarHBondContact O-N 2.71Å; S127-N129 PolarHBondContact OG-N 3Å; S127-N129 PolarHBondContact OG-ND2 3.23Å |
| 128 | P | 74.2 | Confident | 82 | Confident | 64 Ų | 64 | 31.8 Ų | 31.8 | 42% | 0.416 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.6 | 172.6 | 28.1 | -35 | 0 | 0 | 0 | 112 | S77 | S77-P128 WeakPolarHBondContact O-CA 3.47Å; S77-P128 WeakPolarHBondContact O-CB 3.31Å; S77-P128 WeakPolarHBondContact O-CD 3.37Å |
| 129 | N | 68.5 | Low | 82.3 | Confident | 108 Ų | 108 | 28.5 Ų | 28.5 | 58% | 0.578 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.7 | -173.7 | -57.2 | -53.2 | 0 | 0 | 0 | 113.7 | S127 | S127-N129 PolarHBondContact O-N 2.71Å; S127-N129 PolarHBondContact OG-N 3Å; S127-N129 PolarHBondContact OG-ND2 3.23Å |
| 130 | V | 68.3 | Low | 82.5 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -120.8 | 156 | -172.5 | -54 | 0 | 0 | 0 | 0 | 112.2 | L74 I75 N76 | L74-V130 HydrophobicContact CB-CB 3.94Å; L74-V130 HydrophobicContact CB-CG2 3.8Å; L74-V130 HydrophobicContact CD1-CB 4.33Å; L74-V130 HydrophobicContact CD1-CG1 4.5Å; L74-V130 HydrophobicContact CD2-CB 4.3Å; L74-V130 HydrophobicContact CD2-CG1 4.1Å; L74-V130 HydrophobicContact CD2-CG2 4.41Å; L74-V130 HydrophobicContact CG-CB 4.42Å; I75-V130 WeakPolarHBondContact O-CG2 3.33Å; N76-V130 WeakPolarHBondContact CB-O 3.37Å; N76-V130 PolarHBondContact ND2-O 3.15Å |
| 131 | L | 61.2 | Low | 82.6 | Confident | 13 Ų | 13 | 23.6 Ų | 23.6 | 7% | 0.068 | 12% | 0.122 | C | C | . | . | trans | -79.3 | 161.2 | 167 | -80.6 | -179.6 | 0 | 0 | 0 | 111.5 | M7 I11 L74 L133 L286 | M7-L131 HydrophobicContact CB-CD1 4.1Å; M7-L131 HydrophobicContact CB-CD2 3.43Å; M7-L131 VanDerWaalsContact CB-CD2 3.43Å; M7-L131 HydrophobicContact CB-CG 3.83Å; M7-L131 HydrophobicContact CE-CD1 4.41Å; M7-L131 HydrophobicContact CG-CD1 3.53Å; M7-L131 HydrophobicContact CG-CD2 3.85Å; M7-L131 HydrophobicContact CG-CG 3.74Å; M7-L131 HydrophobicContact SD-CB 4.49Å; M7-L131 HydrophobicContact SD-CD1 3.17Å; M7-L131 WeakPolarHBondContact SD-CD1 3.28Å; M7-L131 HydrophobicContact SD-CD2 4.04Å; M7-L131 HydrophobicContact SD-CG 3.27Å; M7-L131 WeakPolarHBondContact SD-CG 3.47Å; I11-L131 HydrophobicContact CD1-CD2 3.37Å; I11-L131 HydrophobicContact CD1-CG 4.47Å; I11-L131 HydrophobicContact CG1-CD2 3.18Å; I11-L131 HydrophobicContact CG1-CG 4.49Å; L74-L131 CarbonylContact C-O 3.59Å; L74-L131 WeakPolarHBondContact CB-O 3.24Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 HydrophobicContact CB-CB 4.14Å; L131-L133 PolarHBondContact O-N 3.14Å; L131-L286 HydrophobicContact CD1-CD2 3.99Å | ||
| 132 | N | 66.9 | Low | 82.4 | Confident | 40 Ų | 40 | 23.8 Ų | 23.8 | 21% | 0.214 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -65.8 | 92.9 | 155 | -70.6 | -6.5 | 0 | 0 | 0 | 109 | N15 L74 I75 N76 | N15-N132 PolarHBondContact OD1-ND2 3.17Å; L74-N132 CarbonylContact O-C 3.59Å; L74-N132 WeakPolarHBondContact O-CA 3.44Å; I75-N132 VanDerWaalsContact CA-OD1 3.24Å; I75-N132 WeakPolarHBondContact CA-OD1 3.17Å; N76-N132 PolarHBondContact N-OD1 3.44Å |
| 133 | L | 73.3 | Confident | 81.9 | Confident | 19 Ų | 19 | 27.4 Ų | 27.4 | 10% | 0.099 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 140.3 | -174.8 | -175.3 | 67.5 | 0 | 0 | 0 | 110.3 | I35 L74 L131 L135 L286 | I35-L133 HydrophobicContact CD1-CD1 3.85Å; I35-L133 HydrophobicContact CD1-CD2 4.04Å; I35-L133 HydrophobicContact CD1-CG 4.35Å; I35-L133 HydrophobicContact CG1-CD1 4.41Å; L74-L133 HydrophobicContact CB-CB 4.42Å; L74-L133 HydrophobicContact CD1-CB 4.48Å; L74-L133 PolarHBondContact N-O 2.79Å; L74-L133 PolarHBondContact O-N 3.45Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 HydrophobicContact CB-CB 4.14Å; L131-L133 PolarHBondContact O-N 3.14Å; L133-L135 HydrophobicContact CD2-CD1 4.4Å; L133-L135 HydrophobicContact CD2-CD2 3.53Å; L133-L135 HydrophobicContact CD2-CG 3.99Å; L133-L135 HydrophobicContact CG-CD2 3.96Å; L133-L135 HydrophobicContact CG-CG 4.23Å; L133-L286 HydrophobicContact CD1-CD2 4.26Å |
| 134 | T | 78.3 | Confident | 81.5 | Confident | 37 Ų | 37 | 32.2 Ų | 32.2 | 23% | 0.227 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 113.9 | 172.1 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | I35 V71 L72 Q73 I136 | I35-T134 PolarHBondContact N-O 3.04Å; I35-T134 VanDerWaalsContact N-O 3.07Å; V71-T134 HydrophobicContact CG1-CG2 3.67Å; L72-T134 WeakPolarHBondContact O-CA 3.49Å; Q73-T134 HydrophobicContact CG-CG2 4.32Å; T134-I136 HydrophobicContact CG2-CG1 4.39Å |
| 135 | L | 87.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.9 | 173.3 | -58.7 | 176.4 | 0 | 0 | 0 | 108.4 | I35 L49 F52 L72 L74 L133 | I35-L135 HydrophobicContact CB-CD2 3.76Å; I35-L135 HydrophobicContact CD1-CD2 3.93Å; I35-L135 HydrophobicContact CG1-CD2 4.3Å; I35-L135 HydrophobicContact CG2-CD2 4.16Å; I35-L135 CarbonylContact O-C 3.54Å; I35-L135 WeakPolarHBondContact O-CA 3.45Å; L49-L135 HydrophobicContact CD2-CB 3.86Å; L49-L135 HydrophobicContact CD2-CD1 3.71Å; L49-L135 HydrophobicContact CD2-CG 4.23Å; F52-L135 HydrophobicContact CB-CD1 4.37Å; L72-L135 WeakPolarHBondContact CA-O 3.46Å; L72-L135 HydrophobicContact CB-CB 4.27Å; L72-L135 WeakPolarHBondContact CB-O 3.22Å; L72-L135 HydrophobicContact CD2-CB 4.39Å; L72-L135 HydrophobicContact CD2-CD1 4.24Å; L72-L135 PolarHBondContact N-O 3.05Å; L72-L135 PolarHBondContact O-N 2.97Å; L74-L135 HydrophobicContact CD1-CD1 3.68Å; L74-L135 HydrophobicContact CD1-CG 4.33Å; L74-L135 HydrophobicContact CG-CD1 4.5Å; L133-L135 HydrophobicContact CD2-CD1 4.4Å; L133-L135 HydrophobicContact CD2-CD2 3.53Å; L133-L135 HydrophobicContact CD2-CG 3.99Å; L133-L135 HydrophobicContact CG-CD2 3.96Å; L133-L135 HydrophobicContact CG-CG 4.23Å |
| 136 | I | 89.2 | Confident | 80.5 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.9 | 179.3 | -51.1 | -178.8 | 0 | 0 | 0 | 108.4 | Q34 I35 V37 L70 V71 T134 L138 F164 | Q34-I136 HydrophobicContact CB-CD1 4.15Å; Q34-I136 VanDerWaalsContact OE1-CD1 3.27Å; I35-I136 PolarHBondContact O-N 3.08Å; V37-I136 PolarHBondContact N-O 3.34Å; L70-I136 CarbonylContact O-C 3.51Å; L70-I136 WeakPolarHBondContact O-CA 3.08Å; V71-I136 HydrophobicContact CG2-CG1 4.48Å; V71-I136 HydrophobicContact CG2-CG2 4.46Å; T134-I136 HydrophobicContact CG2-CG1 4.39Å; I136-L138 HydrophobicContact CG2-CD2 3.79Å; I136-L138 HydrophobicContact CG2-CG 4.09Å; I136-F164 HydrophobicContact CD1-CD1 3.62Å; I136-F164 HydrophobicContact CD1-CE1 4.1Å; I136-F164 HydrophobicContact CG2-CD1 4.02Å; I136-F164 HydrophobicContact CG2-CE1 4.13Å; I136-F164 HydrophobicContact CG2-CG 4.39Å |
| 137 | D | 91.9 | Very high | 79.9 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 119.9 | 170.2 | -164.2 | 28.7 | 0 | 0 | 0 | 108.9 | L49 T66 P69 L70 | L49-D137 HydrophobicContact CD1-CB 3.44Å; L49-D137 VanDerWaalsContact CD1-CB 3.44Å; T66-D137 PolarHBondContact OG1-OD2 3.21Å; P69-D137 CarbonylContact C-O 3.57Å; P69-D137 WeakPolarHBondContact CA-O 3.46Å; L70-D137 HydrophobicContact CB-CB 4.1Å; L70-D137 PolarHBondContact N-O 3.33Å; L70-D137 PolarHBondContact O-N 3.37Å |
| 138 | L | 92 | Very high | 79.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -105.5 | 150.1 | 179.3 | -63.4 | 170.1 | 0 | 0 | 0 | 110.4 | A36 V38 K45 P69 I136 I161 F164 I165 | A36-L138 HydrophobicContact CB-CD1 4.05Å; V38-L138 HydrophobicContact CG2-CD1 4.07Å; K45-L138 WeakPolarHBondContact CE-O 3.2Å; P69-L138 HydrophobicContact CB-CD2 4Å; P69-L138 HydrophobicContact CG-CD2 4.26Å; I136-L138 HydrophobicContact CG2-CD2 3.79Å; I136-L138 HydrophobicContact CG2-CG 4.09Å; L138-I161 HydrophobicContact CB-CG1 4.16Å; L138-I161 HydrophobicContact CD1-CB 4.4Å; L138-I161 HydrophobicContact CD1-CG1 4.22Å; L138-I161 HydrophobicContact CD1-CG2 4.16Å; L138-F164 HydrophobicContact CD1-CB 4.25Å; L138-F164 HydrophobicContact CD2-CB 4.45Å; L138-F164 HydrophobicContact CD2-CD2 3.46Å; L138-F164 VanDerWaalsContact CD2-CD2 3.46Å; L138-F164 HydrophobicContact CD2-CE2 3.82Å; L138-F164 HydrophobicContact CD2-CG 3.98Å; L138-I165 HydrophobicContact CD1-CG2 4.45Å | ||
| 139 | P | 89.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -51.8 | 144.7 | 173.1 | -29.3 | 38.2 | 0 | 0 | 0 | 112.6 | T66 I157 M160 | T66-P139 WeakPolarHBondContact O-CA 3.34Å; T66-P139 WeakPolarHBondContact O-CB 3.47Å; T66-P139 WeakPolarHBondContact O-CG 3.46Å; P139-I157 HydrophobicContact CB-CG2 4.18Å; P139-M160 VanDerWaalsContact CD-SD 3.58Å; P139-M160 HydrophobicContact CG-CE 4.3Å; P139-M160 HydrophobicContact CG-SD 3.51Å; P139-M160 VanDerWaalsContact CG-SD 3.51Å |
| 140 | G | 89.2 | Confident | 80.1 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 138.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G39 T142 | G39-G140 VanDerWaalsContact O-CA 3.24Å; G39-G140 WeakPolarHBondContact O-CA 3.41Å; G140-T142 PolarHBondContact O-N 3.5Å |
| 141 | M | 89 | Confident | 80.9 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -58 | 133.7 | 172.7 | -71.9 | -62.9 | -64.3 | 0 | 0 | 110.9 | G39 Q41 E154 I157 R158 I161 D186 L190 | G39-M141 PolarHBondContact O-N 3.24Å; Q41-M141 PolarHBondContact N-O 3.18Å; M141-E154 HydrophobicContact CE-CG 3.91Å; M141-I157 HydrophobicContact SD-CB 4.41Å; M141-I157 HydrophobicContact SD-CG2 3.74Å; M141-R158 HydrophobicContact CE-CB 4.14Å; M141-R158 HydrophobicContact SD-CB 4.3Å; M141-I161 HydrophobicContact CG-CD1 3.91Å; M141-I161 HydrophobicContact SD-CD1 3.6Å; M141-D186 HydrophobicContact CB-CB 3.99Å; M141-D186 HydrophobicContact CG-CB 4.09Å; M141-L190 HydrophobicContact CG-CD1 3.91Å; M141-L190 HydrophobicContact SD-CD1 3.91Å |
| 142 | T | 85 | Confident | 82.2 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | trans | -128 | 136.2 | 176.2 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | Q41 I64 G140 E154 I157 | Q41-T142 HydrophobicContact CB-CG2 4.18Å; Q41-T142 VanDerWaalsContact OE1-CG2 3.31Å; I64-T142 HydrophobicContact CD1-CG2 3.57Å; I64-T142 HydrophobicContact CG1-CG2 3.66Å; G140-T142 PolarHBondContact O-N 3.5Å; T142-E154 WeakPolarHBondContact O-CB 3.31Å; T142-E154 WeakPolarHBondContact O-CG 3.36Å; T142-I157 HydrophobicContact CG2-CD1 4.47Å | ||
| 143 | K | 79.5 | Confident | 83.1 | Confident | 124 Ų | 124 | 41.2 Ų | 41.2 | 54% | 0.539 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -94.3 | -22 | -178.6 | -62.7 | -176.4 | 179.4 | -179.8 | 0 | 114.1 | D186 | K143-D186 VanDerWaalsContact CE-OD1 3.27Å; K143-D186 WeakPolarHBondContact CE-OD1 3.19Å; K143-D186 WeakPolarHBondContact CE-OD2 3.3Å; K143-D186 IonicContact NZ-OD1 2.84Å |
| 144 | V | 82.2 | Confident | 83.8 | Confident | 103 Ų | 103 | 44.2 Ų | 44.2 | 62% | 0.624 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -130.5 | 124.8 | -176.8 | -176 | 0 | 0 | 0 | 0 | 108.4 | V146 | V144-V146 PolarHBondContact O-N 2.91Š|
| 145 | P | 79.7 | Confident | 84.4 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | trans | -63.1 | 133.8 | 174.9 | 25.4 | -32.5 | 0 | 0 | 0 | 110.3 | Q149 I153 | P145-Q149 HydrophobicContact CB-CB 4.02Å; P145-I153 HydrophobicContact CB-CG2 3.8Å | ||
| 146 | V | 75.7 | Confident | 84.5 | Confident | 60 Ų | 60 | 49.7 Ų | 49.7 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -123 | 131.3 | 179.6 | -70.7 | 0 | 0 | 0 | 0 | 112 | V144 Q149 | V144-V146 PolarHBondContact O-N 2.91Å; V146-Q149 WeakPolarHBondContact O-CG 3.48Å | ||
| 147 | G | 74.8 | Confident | 84.6 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 72.5 | -133.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q149 | G147-Q149 PolarHBondContact O-N 2.93Š|
| 148 | D | 73.3 | Confident | 84.7 | Confident | 123 Ų | 123 | 53 Ų | 53 | 66% | 0.658 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -88.6 | 18.7 | -176.6 | -53.7 | -37.2 | 0 | 0 | 0 | 113.3 | N113 | N113-D148 HydrophobicContact CB-CB 4.36Š|
| 149 | Q | 75.8 | Confident | 84.6 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | trans | -67.5 | 140.8 | 176.8 | -73.1 | 177.1 | -13.6 | 0 | 0 | 110.7 | K114 P145 V146 G147 I153 | K114-Q149 HydrophobicContact CB-CG 4.02Å; P145-Q149 HydrophobicContact CB-CB 4.02Å; V146-Q149 WeakPolarHBondContact O-CG 3.48Å; G147-Q149 PolarHBondContact O-N 2.93Å; Q149-I153 HydrophobicContact CB-CB 4.36Å; Q149-I153 HydrophobicContact CB-CG1 4.36Å; Q149-I153 HydrophobicContact CB-CG2 4.5Å; Q149-I153 HydrophobicContact CG-CG1 4.46Å | ||
| 150 | P | 80.8 | Confident | 84.7 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | trans | -67.6 | 153 | -179.7 | 32.8 | -38.2 | 0 | 0 | 0 | 110.8 | D152 I153 | P150-D152 VanDerWaalsContact CB-OD1 3.32Å; P150-D152 WeakPolarHBondContact CB-OD1 3.22Å; P150-D152 PolarHBondContact O-N 2.78Å; P150-D152 VanDerWaalsContact O-N 3.08Å; P150-I153 HydrophobicContact CG-CB 4.38Å; P150-I153 HydrophobicContact CG-CD1 4.42Å; P150-I153 WeakPolarHBondContact O-CB 3.42Å; P150-I153 PolarHBondContact O-N 3.44Å | ||
| 151 | P | 84.8 | Confident | 84.9 | Confident | 125 Ų | 125 | 56 Ų | 56 | 81% | 0.812 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.6 | -175.9 | -22.2 | 31.9 | 0 | 0 | 0 | 114.1 | ||
| 152 | D | 88.3 | Confident | 85.1 | Confident | 72 Ų | 72 | 57.5 Ų | 57.5 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 17 | -179.1 | 66.7 | -37.9 | 0 | 0 | 0 | 113.4 | P150 E154 V155 Q156 | P150-D152 VanDerWaalsContact CB-OD1 3.32Å; P150-D152 WeakPolarHBondContact CB-OD1 3.22Å; P150-D152 PolarHBondContact O-N 2.78Å; P150-D152 VanDerWaalsContact O-N 3.08Å; D152-E154 PolarHBondContact O-N 2.7Å; D152-E154 VanDerWaalsContact O-N 3.14Å; D152-V155 HydrophobicContact CB-CB 4.5Å; D152-V155 WeakPolarHBondContact O-CA 3.34Å; D152-V155 WeakPolarHBondContact O-CB 2.87Å; D152-V155 PolarHBondContact O-N 2.99Å; D152-Q156 PolarHBondContact O-N 2.86Å; D152-Q156 PolarHBondContact OD1-NE2 3.44Å; D152-Q156 PolarHBondContact OD2-NE2 2.85Å |
| 153 | I | 86.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -52.9 | -37.4 | -178.3 | -171.5 | 61.6 | 0 | 0 | 0 | 113.2 | I64 I116 P145 Q149 P150 V155 Q156 I157 | I64-I153 HydrophobicContact CD1-CG1 4.34Å; I116-I153 HydrophobicContact CB-CD1 4.49Å; I116-I153 HydrophobicContact CD1-CD1 3.49Å; I116-I153 VanDerWaalsContact CD1-CD1 3.49Å; I116-I153 HydrophobicContact CG1-CD1 3.73Å; I116-I153 HydrophobicContact CG2-CD1 3.99Å; P145-I153 HydrophobicContact CB-CG2 3.8Å; Q149-I153 HydrophobicContact CB-CB 4.36Å; Q149-I153 HydrophobicContact CB-CG1 4.36Å; Q149-I153 HydrophobicContact CB-CG2 4.5Å; Q149-I153 HydrophobicContact CG-CG1 4.46Å; P150-I153 HydrophobicContact CG-CB 4.38Å; P150-I153 HydrophobicContact CG-CD1 4.42Å; P150-I153 WeakPolarHBondContact O-CB 3.42Å; P150-I153 PolarHBondContact O-N 3.44Å; I153-V155 VanDerWaalsContact C-N 3.34Å; I153-V155 PolarHBondContact O-N 2.88Å; I153-Q156 PolarHBondContact O-N 3.38Å; I153-I157 HydrophobicContact CD1-CD1 4.24Å; I153-I157 HydrophobicContact CD1-CG1 4.29Å; I153-I157 HydrophobicContact CG1-CD1 3.92Å; I153-I157 HydrophobicContact CG1-CG1 4.37Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.4Å; I153-I157 PolarHBondContact O-N 3.26Å |
| 154 | E | 88.7 | Confident | 85.7 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.379 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 176.1 | -176.1 | -179.8 | 167.3 | 0 | 0 | 111.4 | M141 T142 D152 R158 | M141-E154 HydrophobicContact CE-CG 3.91Å; T142-E154 WeakPolarHBondContact O-CB 3.31Å; T142-E154 WeakPolarHBondContact O-CG 3.36Å; D152-E154 PolarHBondContact O-N 2.7Å; D152-E154 VanDerWaalsContact O-N 3.14Å; E154-R158 WeakPolarHBondContact O-CB 3.23Å; E154-R158 PolarHBondContact O-N 3.43Å |
| 155 | V | 90.4 | Very high | 86.2 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | D152 I153 R158 S159 | D152-V155 HydrophobicContact CB-CB 4.5Å; D152-V155 WeakPolarHBondContact O-CA 3.34Å; D152-V155 WeakPolarHBondContact O-CB 2.87Å; D152-V155 PolarHBondContact O-N 2.99Å; I153-V155 VanDerWaalsContact C-N 3.34Å; I153-V155 PolarHBondContact O-N 2.88Å; V155-R158 PolarHBondContact O-N 2.71Å; V155-S159 WeakPolarHBondContact O-CB 3.48Å; V155-S159 PolarHBondContact O-N 3.03Å; V155-S159 PolarHBondContact O-OG 3.06Å |
| 156 | Q | 89 | Confident | 86.7 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 179.3 | -64.1 | -178.1 | 23.8 | 0 | 0 | 112.2 | I116 D152 I153 R158 S159 M160 | I116-Q156 HydrophobicContact CD1-CB 3.69Å; D152-Q156 PolarHBondContact O-N 2.86Å; D152-Q156 PolarHBondContact OD1-NE2 3.44Å; D152-Q156 PolarHBondContact OD2-NE2 2.85Å; I153-Q156 PolarHBondContact O-N 3.38Å; Q156-R158 VanDerWaalsContact C-N 3.35Å; Q156-S159 PolarHBondContact O-N 3.2Å; Q156-M160 WeakPolarHBondContact O-CB 3.24Å; Q156-M160 PolarHBondContact O-N 3.39Å |
| 157 | I | 91.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176 | -66.2 | 172.9 | 0 | 0 | 0 | 110.4 | I64 I116 P139 M141 T142 I153 M160 I161 | I64-I157 HydrophobicContact CD1-CD1 3.7Å; I116-I157 HydrophobicContact CD1-CG1 3.6Å; P139-I157 HydrophobicContact CB-CG2 4.18Å; M141-I157 HydrophobicContact SD-CB 4.41Å; M141-I157 HydrophobicContact SD-CG2 3.74Å; T142-I157 HydrophobicContact CG2-CD1 4.47Å; I153-I157 HydrophobicContact CD1-CD1 4.24Å; I153-I157 HydrophobicContact CD1-CG1 4.29Å; I153-I157 HydrophobicContact CG1-CD1 3.92Å; I153-I157 HydrophobicContact CG1-CG1 4.37Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.4Å; I153-I157 PolarHBondContact O-N 3.26Å; I157-M160 WeakPolarHBondContact O-CB 3.34Å; I157-M160 PolarHBondContact O-N 3.11Å; I157-I161 HydrophobicContact CG2-CD1 3.79Å; I157-I161 HydrophobicContact CG2-CG1 4.41Å; I157-I161 WeakPolarHBondContact O-CG1 3.37Å; I157-I161 PolarHBondContact O-N 3.11Å |
| 158 | R | 92.9 | Very high | 87.5 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 28% | 0.275 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 177.3 | 175.3 | 170.8 | 168.1 | 111.5 | -2.5 | 111.8 | M141 E154 V155 Q156 M160 I161 L162 L190 E193 | M141-R158 HydrophobicContact CE-CB 4.14Å; M141-R158 HydrophobicContact SD-CB 4.3Å; E154-R158 WeakPolarHBondContact O-CB 3.23Å; E154-R158 PolarHBondContact O-N 3.43Å; V155-R158 PolarHBondContact O-N 2.71Å; Q156-R158 VanDerWaalsContact C-N 3.35Å; R158-M160 VanDerWaalsContact C-N 3.31Å; R158-M160 PolarHBondContact O-N 3.1Å; R158-I161 PolarHBondContact O-N 2.93Å; R158-L162 HydrophobicContact CG-CD1 4.09Å; R158-L162 WeakPolarHBondContact O-CG 3.36Å; R158-L162 PolarHBondContact O-N 3.33Å; R158-L190 HydrophobicContact CG-CD2 3.93Å; R158-E193 IonicContact CZ-OE1 3.66Å; R158-E193 VanDerWaalsContact CZ-OE1 3.32Å; R158-E193 IonicContact CZ-OE2 3.75Å; R158-E193 IonicContact NH1-OE1 2.73Å; R158-E193 PolarHBondContact NH1-OE1 3.37Å; R158-E193 IonicContact NH1-OE2 3.91Å; R158-E193 IonicContact NH2-OE1 3.11Å; R158-E193 PolarHBondContact NH2-OE1 3.37Å; R158-E193 IonicContact NH2-OE2 3.89Å; R158-E193 PolarHBondContact NH2-OE2 3.22Å |
| 159 | S | 91.7 | Very high | 87.6 | Confident | 67 Ų | 67 | 58 Ų | 58 | 47% | 0.469 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.9 | -71.2 | 0 | 0 | 0 | 0 | 111.8 | V155 Q156 L162 E163 | V155-S159 WeakPolarHBondContact O-CB 3.48Å; V155-S159 PolarHBondContact O-N 3.03Å; V155-S159 PolarHBondContact O-OG 3.06Å; Q156-S159 PolarHBondContact O-N 3.2Å; S159-L162 PolarHBondContact O-N 3.08Å; S159-E163 PolarHBondContact O-N 2.95Å |
| 160 | M | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.2 | -172.6 | -165.9 | -62.7 | 0 | 0 | 112 | P69 I116 S117 N118 P139 Q156 I157 R158 E163 F164 | P69-M160 VanDerWaalsContact CD-SD 3.55Å; P69-M160 HydrophobicContact CG-CG 3.87Å; P69-M160 HydrophobicContact CG-SD 3.5Å; P69-M160 WeakPolarHBondContact CG-SD 3.42Å; I116-M160 HydrophobicContact CB-CE 4.19Å; I116-M160 HydrophobicContact CD1-CE 3.99Å; I116-M160 HydrophobicContact CG1-CE 4.37Å; S117-M160 WeakPolarHBondContact O-CE 3.24Å; N118-M160 HydrophobicContact CB-CG 4.43Å; N118-M160 WeakPolarHBondContact OD1-CE 3.32Å; P139-M160 VanDerWaalsContact CD-SD 3.58Å; P139-M160 HydrophobicContact CG-CE 4.3Å; P139-M160 HydrophobicContact CG-SD 3.51Å; P139-M160 VanDerWaalsContact CG-SD 3.51Å; Q156-M160 WeakPolarHBondContact O-CB 3.24Å; Q156-M160 PolarHBondContact O-N 3.39Å; I157-M160 WeakPolarHBondContact O-CB 3.34Å; I157-M160 PolarHBondContact O-N 3.11Å; R158-M160 VanDerWaalsContact C-N 3.31Å; R158-M160 PolarHBondContact O-N 3.1Å; M160-E163 WeakPolarHBondContact O-CB 3.33Å; M160-E163 PolarHBondContact O-N 3.18Å; M160-F164 VanDerWaalsContact O-CD2 3.31Å; M160-F164 WeakPolarHBondContact O-CD2 3.4Å |
| 161 | I | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 177.7 | -69.7 | 164 | 0 | 0 | 0 | 110.8 | V38 L138 M141 I157 R158 E163 F164 I165 L190 | V38-I161 HydrophobicContact CG1-CD1 4.38Å; V38-I161 HydrophobicContact CG1-CG2 3.98Å; V38-I161 HydrophobicContact CG2-CG2 3.88Å; L138-I161 HydrophobicContact CB-CG1 4.16Å; L138-I161 HydrophobicContact CD1-CB 4.4Å; L138-I161 HydrophobicContact CD1-CG1 4.22Å; L138-I161 HydrophobicContact CD1-CG2 4.16Å; M141-I161 HydrophobicContact CG-CD1 3.91Å; M141-I161 HydrophobicContact SD-CD1 3.6Å; I157-I161 HydrophobicContact CG2-CD1 3.79Å; I157-I161 HydrophobicContact CG2-CG1 4.41Å; I157-I161 WeakPolarHBondContact O-CG1 3.37Å; I157-I161 PolarHBondContact O-N 3.11Å; R158-I161 PolarHBondContact O-N 2.93Å; I161-E163 VanDerWaalsContact C-N 3.26Å; I161-E163 PolarHBondContact O-N 3.15Å; I161-F164 PolarHBondContact O-N 3.26Å; I161-F164 VanDerWaalsContact O-N 3.12Å; I161-I165 HydrophobicContact CG2-CD1 3.78Å; I161-I165 HydrophobicContact CG2-CG1 4.12Å; I161-I165 HydrophobicContact CG2-CG2 4.2Å; I161-I165 WeakPolarHBondContact O-CG1 3.29Å; I161-I165 PolarHBondContact O-N 3.45Å; I161-L190 HydrophobicContact CD1-CD1 4.03Å; I161-L190 HydrophobicContact CG2-CD1 4.14Å |
| 162 | L | 93 | Very high | 88.9 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.2 | -35.6 | -179.3 | -74 | 170.8 | 0 | 0 | 0 | 112.4 | R158 S159 F164 I165 T166 V194 | R158-L162 HydrophobicContact CG-CD1 4.09Å; R158-L162 WeakPolarHBondContact O-CG 3.36Å; R158-L162 PolarHBondContact O-N 3.33Å; S159-L162 PolarHBondContact O-N 3.08Å; L162-F164 PolarHBondContact O-N 3.01Å; L162-F164 VanDerWaalsContact O-N 3.17Å; L162-I165 HydrophobicContact CD2-CD1 4.27Å; L162-I165 HydrophobicContact CD2-CG1 4.3Å; L162-I165 PolarHBondContact O-N 2.9Å; L162-T166 VanDerWaalsContact O-CB 3.22Å; L162-T166 WeakPolarHBondContact O-CB 3.32Å; L162-T166 PolarHBondContact O-N 2.95Å; L162-T166 PolarHBondContact O-OG1 3.12Å; L162-V194 HydrophobicContact CD2-CG1 3.64Å |
| 163 | E | 89.4 | Confident | 89.1 | Confident | 115 Ų | 115 | 46.9 Ų | 46.9 | 54% | 0.537 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.4 | -34 | 176.6 | -167.1 | 174.9 | 170.7 | 0 | 0 | 113 | S159 M160 I161 | S159-E163 PolarHBondContact O-N 2.95Å; M160-E163 WeakPolarHBondContact O-CB 3.33Å; M160-E163 PolarHBondContact O-N 3.18Å; I161-E163 VanDerWaalsContact C-N 3.26Å; I161-E163 PolarHBondContact O-N 3.15Å |
| 164 | F | 88.1 | Confident | 89.6 | Confident | 23 Ų | 23 | 46.8 Ų | 46.8 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -90.2 | -47.8 | 177.4 | -66.3 | -87.5 | 0 | 0 | 0 | 112.4 | P69 I136 L138 M160 I161 L162 T166 Q167 | P69-F164 HydrophobicContact CB-CE2 3.85Å; P69-F164 HydrophobicContact CB-CZ 3.76Å; P69-F164 HydrophobicContact CG-CE2 3.69Å; P69-F164 HydrophobicContact CG-CZ 3.98Å; I136-F164 HydrophobicContact CD1-CD1 3.62Å; I136-F164 HydrophobicContact CD1-CE1 4.1Å; I136-F164 HydrophobicContact CG2-CD1 4.02Å; I136-F164 HydrophobicContact CG2-CE1 4.13Å; I136-F164 HydrophobicContact CG2-CG 4.39Å; L138-F164 HydrophobicContact CD1-CB 4.25Å; L138-F164 HydrophobicContact CD2-CB 4.45Å; L138-F164 HydrophobicContact CD2-CD2 3.46Å; L138-F164 VanDerWaalsContact CD2-CD2 3.46Å; L138-F164 HydrophobicContact CD2-CE2 3.82Å; L138-F164 HydrophobicContact CD2-CG 3.98Å; M160-F164 VanDerWaalsContact O-CD2 3.31Å; M160-F164 WeakPolarHBondContact O-CD2 3.4Å; I161-F164 PolarHBondContact O-N 3.26Å; I161-F164 VanDerWaalsContact O-N 3.12Å; L162-F164 PolarHBondContact O-N 3.01Å; L162-F164 VanDerWaalsContact O-N 3.17Å; F164-T166 PolarHBondContact O-N 3.44Å; F164-Q167 PolarHBondContact O-N 3.18Å |
| 165 | I | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -79.1 | -15.3 | -171.1 | 68.3 | 170.8 | 0 | 0 | 0 | 114.5 | A36 V38 L138 I161 L162 Q167 I172 L190 V194 R200 | A36-I165 HydrophobicContact CB-CG2 3.84Å; V38-I165 HydrophobicContact CG2-CG2 3.7Å; L138-I165 HydrophobicContact CD1-CG2 4.45Å; I161-I165 HydrophobicContact CG2-CD1 3.78Å; I161-I165 HydrophobicContact CG2-CG1 4.12Å; I161-I165 HydrophobicContact CG2-CG2 4.2Å; I161-I165 WeakPolarHBondContact O-CG1 3.29Å; I161-I165 PolarHBondContact O-N 3.45Å; L162-I165 HydrophobicContact CD2-CD1 4.27Å; L162-I165 HydrophobicContact CD2-CG1 4.3Å; L162-I165 PolarHBondContact O-N 2.9Å; I165-Q167 PolarHBondContact O-N 2.97Å; I165-I172 HydrophobicContact CB-CD1 3.99Å; I165-I172 HydrophobicContact CB-CG1 4.09Å; I165-I172 HydrophobicContact CG2-CG1 4.19Å; I165-I172 HydrophobicContact CG2-CG2 4.4Å; I165-L190 HydrophobicContact CD1-CB 4.21Å; I165-V194 HydrophobicContact CB-CG2 4.27Å; I165-V194 HydrophobicContact CD1-CG1 4.36Å; I165-V194 HydrophobicContact CD1-CG2 3.74Å; I165-V194 HydrophobicContact CG1-CG1 4.26Å; I165-V194 HydrophobicContact CG1-CG2 3.9Å; I165-R200 VanDerWaalsContact O-CZ 3.27Å; I165-R200 PolarHBondContact O-NH1 3.18Å; I165-R200 PolarHBondContact O-NH2 3.24Å |
| 166 | T | 91.7 | Very high | 90.1 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 52% | 0.521 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.5 | 174.5 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | L162 F164 E168 | L162-T166 VanDerWaalsContact O-CB 3.22Å; L162-T166 WeakPolarHBondContact O-CB 3.32Å; L162-T166 PolarHBondContact O-N 2.95Å; L162-T166 PolarHBondContact O-OG1 3.12Å; F164-T166 PolarHBondContact O-N 3.44Å; T166-E168 PolarHBondContact O-N 3.27Å |
| 167 | Q | 84.3 | Confident | 90.3 | Very high | 86 Ų | 86 | 36.3 Ų | 36.3 | 40% | 0.402 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -65 | 126.1 | 177.4 | -59.3 | 179.9 | 13.1 | 0 | 0 | 111 | F164 I165 N169 C170 R200 | F164-Q167 PolarHBondContact O-N 3.18Å; I165-Q167 PolarHBondContact O-N 2.97Å; Q167-N169 PolarHBondContact O-N 3.14Å; Q167-C170 HydrophobicContact CB-CB 4.11Å; Q167-C170 VanDerWaalsContact O-CB 3.29Å; Q167-C170 WeakPolarHBondContact O-CB 3.49Å; Q167-C170 PolarHBondContact O-N 3.36Å; Q167-R200 PolarHBondContact O-NH1 3.05Å |
| 168 | E | 81.6 | Confident | 90.4 | Very high | 173 Ų | 173 | 36.8 Ų | 36.8 | 81% | 0.808 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -33.4 | -176.5 | -64.6 | -175 | 171.5 | 0 | 0 | 112.9 | T166 C170 R200 | T166-E168 PolarHBondContact O-N 3.27Å; E168-C170 VanDerWaalsContact C-N 3.26Å; E168-C170 PolarHBondContact O-N 2.84Å; E168-R200 VanDerWaalsContact O-CD 3.28Å; E168-R200 WeakPolarHBondContact O-CD 3.23Å |
| 169 | N | 76.6 | Confident | 90.3 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 35% | 0.353 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -3 | 178.5 | -64.1 | -24.8 | 0 | 0 | 0 | 113.3 | D31 P33 Q167 | D31-N169 WeakPolarHBondContact CB-ND2 3.19Å; P33-N169 WeakPolarHBondContact CA-O 3.47Å; P33-N169 VanDerWaalsContact CB-O 3.31Å; P33-N169 WeakPolarHBondContact CB-O 3.43Å; Q167-N169 PolarHBondContact O-N 3.14Å |
| 170 | C | 85 | Confident | 90 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | trans | -85.4 | 120.2 | 178.7 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | Q34 A36 Q167 E168 R200 | Q34-C170 CarbonylContact O-C 3.55Å; Q34-C170 WeakPolarHBondContact O-CA 3.36Å; A36-C170 WeakPolarHBondContact CB-SG 3.29Å; Q167-C170 HydrophobicContact CB-CB 4.11Å; Q167-C170 VanDerWaalsContact O-CB 3.29Å; Q167-C170 WeakPolarHBondContact O-CB 3.49Å; Q167-C170 PolarHBondContact O-N 3.36Å; E168-C170 VanDerWaalsContact C-N 3.26Å; E168-C170 PolarHBondContact O-N 2.84Å; C170-R200 WeakPolarHBondContact O-CD 3.3Å; C170-R200 PolarHBondContact O-NH1 2.76Å | ||
| 171 | L | 89.1 | Confident | 89.7 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 129.6 | 165.4 | -75 | 169.6 | 0 | 0 | 0 | 109.3 | P33 Q34 I35 A36 R200 Q285 | P33-L171 HydrophobicContact CB-CD1 4.2Å; P33-L171 HydrophobicContact CB-CG 4.35Å; Q34-L171 PolarHBondContact O-N 2.81Å; I35-L171 WeakPolarHBondContact CA-O 3.42Å; I35-L171 HydrophobicContact CG1-CB 4.14Å; I35-L171 HydrophobicContact CG1-CD1 4.26Å; A36-L171 PolarHBondContact N-O 3.45Å; L171-R200 WeakPolarHBondContact CA-O 3.45Å; L171-R200 HydrophobicContact CD2-CB 4.16Å; L171-Q285 HydrophobicContact CD1-CB 3.84Å |
| 172 | I | 93.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.7 | -178.1 | -51.8 | 171.4 | 0 | 0 | 0 | 108.7 | V38 I165 S191 V194 D195 R200 T201 I202 | V38-I172 HydrophobicContact CB-CG2 4.49Å; V38-I172 HydrophobicContact CG2-CG2 4.08Å; I165-I172 HydrophobicContact CB-CD1 3.99Å; I165-I172 HydrophobicContact CB-CG1 4.09Å; I165-I172 HydrophobicContact CG2-CG1 4.19Å; I165-I172 HydrophobicContact CG2-CG2 4.4Å; I172-S191 VanDerWaalsContact CG2-OG 3.27Å; I172-S191 WeakPolarHBondContact CG2-OG 3.46Å; I172-V194 HydrophobicContact CD1-CG2 3.49Å; I172-V194 VanDerWaalsContact CD1-CG2 3.49Å; I172-D195 HydrophobicContact CD1-CB 4.37Å; I172-R200 PolarHBondContact N-O 2.96Å; I172-T201 CarbonylContact O-C 3.58Å; I172-T201 WeakPolarHBondContact O-CA 3.26Å; I172-I202 PolarHBondContact O-N 2.74Å |
| 173 | L | 94.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 95.7 | 172.9 | -161.3 | 69.1 | 0 | 0 | 0 | 109 | I35 A36 V37 V38 V48 V175 I202 V204 L278 L282 | I35-L173 HydrophobicContact CG2-CB 4.18Å; A36-L173 PolarHBondContact O-N 3.43Å; V37-L173 HydrophobicContact CG1-CD2 4.44Å; V37-L173 HydrophobicContact CG2-CB 4.35Å; V37-L173 HydrophobicContact CG2-CD2 4.04Å; V38-L173 PolarHBondContact N-O 3.08Å; V48-L173 HydrophobicContact CG1-CD2 4.09Å; L173-V175 HydrophobicContact CG-CG2 4.35Å; L173-V175 PolarHBondContact O-N 3.34Å; L173-I202 HydrophobicContact CD1-CB 4Å; L173-I202 HydrophobicContact CD1-CG2 3.99Å; L173-V204 HydrophobicContact CD1-CG2 3.35Å; L173-V204 HydrophobicContact CD2-CG2 4.25Å; L173-V204 HydrophobicContact CG-CG2 3.68Å; L173-L278 HydrophobicContact CD1-CD1 4.23Å; L173-L282 HydrophobicContact CD1-CD2 4.26Å |
| 174 | A | 95.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 93.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A187 L188 T201 I202 V204 | A174-A187 HydrophobicContact CB-CB 4.03Å; A174-L188 HydrophobicContact CB-CD2 3.82Å; A174-L188 HydrophobicContact CB-CG 4.41Å; A174-T201 HydrophobicContact CB-CG2 4.01Å; A174-I202 PolarHBondContact N-O 2.52Å; A174-V204 PolarHBondContact O-N 2.84Å |
| 175 | V | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 116.8 | -175.6 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | V37 V38 G39 A43 K45 L173 V204 T206 | V37-V175 HydrophobicContact CG1-CG2 3.52Å; V38-V175 PolarHBondContact O-N 3.5Å; G39-V175 WeakPolarHBondContact CA-O 3.15Å; A43-V175 HydrophobicContact CB-CG1 4.25Å; K45-V175 HydrophobicContact CG-CB 4.19Å; K45-V175 HydrophobicContact CG-CG1 4.46Å; K45-V175 HydrophobicContact CG-CG2 4.37Å; L173-V175 HydrophobicContact CG-CG2 4.35Å; L173-V175 PolarHBondContact O-N 3.34Å; V175-V204 WeakPolarHBondContact CA-O 3.2Å; V175-V204 HydrophobicContact CG2-CB 4.28Å; V175-T206 HydrophobicContact CG1-CG2 3.47Å; V175-T206 VanDerWaalsContact CG1-CG2 3.47Å |
| 176 | S | 94.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 137.2 | 178.4 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | S185 V204 V205 T206 | S176-S185 PolarHBondContact OG-OG 2.6Å; S176-V204 PolarHBondContact N-O 3.31Å; S176-V205 CarbonylContact O-C 3.57Å; S176-V205 VanDerWaalsContact O-CA 3.31Å; S176-V205 WeakPolarHBondContact O-CA 3.36Å; S176-T206 PolarHBondContact O-N 3.07Å |
| 177 | P | 93.7 | Very high | 88.7 | Confident | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 139 | 175.8 | 31.7 | -28.6 | 0 | 0 | 0 | 111 | A43 N179 S180 K207 | A43-P177 HydrophobicContact CB-CG 4.5Å; P177-N179 VanDerWaalsContact C-N 3.26Å; P177-N179 WeakPolarHBondContact CB-OD1 3.36Å; P177-N179 PolarHBondContact O-N 3.34Å; P177-S180 WeakPolarHBondContact CG-OG 3.28Å; P177-S180 PolarHBondContact O-N 2.93Å; P177-S180 PolarHBondContact O-OG 3.5Å; P177-K207 HydrophobicContact CB-CD 3.9Å; P177-K207 HydrophobicContact CB-CG 4.39Å |
| 178 | A | 93.2 | Very high | 89.1 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | S180 V205 T206 L208 M211 | A178-S180 PolarHBondContact O-N 3.04Å; A178-V205 HydrophobicContact CB-CG1 3.66Å; A178-T206 VanDerWaalsContact CB-O 3.23Å; A178-T206 WeakPolarHBondContact CB-O 3.42Å; A178-T206 PolarHBondContact N-O 3.28Å; A178-L208 HydrophobicContact CB-CD2 3.61Å; A178-L208 HydrophobicContact CB-CG 4.02Å; A178-M211 HydrophobicContact CB-CG 3.74Å; A178-M211 HydrophobicContact CB-SD 3.71Å |
| 179 | N | 89.7 | Confident | 89.6 | Confident | 86 Ų | 86 | 34.2 Ų | 34.2 | 46% | 0.46 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 13.6 | 178.4 | 72.2 | -28.5 | 0 | 0 | 0 | 113.2 | P177 | P177-N179 VanDerWaalsContact C-N 3.26Å; P177-N179 WeakPolarHBondContact CB-OD1 3.36Å; P177-N179 PolarHBondContact O-N 3.34Å |
| 180 | S | 86.3 | Confident | 90.4 | Very high | 52 Ų | 52 | 31.2 Ų | 31.2 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -129.3 | 147 | 171.1 | 67.2 | 0 | 0 | 0 | 0 | 109.5 | P177 A178 L182 | P177-S180 WeakPolarHBondContact CG-OG 3.28Å; P177-S180 PolarHBondContact O-N 2.93Å; P177-S180 PolarHBondContact O-OG 3.5Å; A178-S180 PolarHBondContact O-N 3.04Å; S180-L182 PolarHBondContact O-N 2.65Å |
| 181 | D | 84.4 | Confident | 90.8 | Very high | 93 Ų | 93 | 31.2 Ų | 31.2 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | trans | -60.9 | 125.6 | 176.2 | -179 | 11.8 | 0 | 0 | 0 | 111 | A183 N184 | D181-A183 PolarHBondContact O-N 3.36Å; D181-A183 PolarHBondContact OD1-N 3.27Å; D181-N184 PolarHBondContact O-N 3.48Å; D181-N184 VanDerWaalsContact O-N 3.08Å; D181-N184 PolarHBondContact OD2-ND2 2.98Å | ||
| 182 | L | 84.5 | Confident | 90.9 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -63.9 | -29.8 | -177.2 | -165 | 75.6 | 0 | 0 | 0 | 112.2 | S180 N184 S185 L188 I220 L225 L226 Y232 | S180-L182 PolarHBondContact O-N 2.65Å; L182-N184 PolarHBondContact O-N 3.05Å; L182-N184 VanDerWaalsContact O-N 3.14Å; L182-S185 WeakPolarHBondContact O-CB 3.3Å; L182-S185 PolarHBondContact O-N 3.33Å; L182-L188 HydrophobicContact CD1-CD1 3.56Å; L182-L188 HydrophobicContact CD2-CD1 3.89Å; L182-L188 HydrophobicContact CG-CD1 3.51Å; L182-I220 HydrophobicContact CB-CD1 3.81Å; L182-I220 HydrophobicContact CB-CG1 4.36Å; L182-I220 HydrophobicContact CD1-CG2 4.36Å; L182-I220 HydrophobicContact CD2-CB 4.26Å; L182-I220 HydrophobicContact CD2-CD1 4.12Å; L182-I220 HydrophobicContact CD2-CG1 3.89Å; L182-I220 HydrophobicContact CD2-CG2 3.53Å; L182-I220 HydrophobicContact CG-CD1 4.39Å; L182-I220 HydrophobicContact CG-CG2 4.49Å; L182-L225 HydrophobicContact CB-CD2 4.26Å; L182-L225 HydrophobicContact CD2-CD2 4.39Å; L182-L226 HydrophobicContact CD2-CB 4.38Å; L182-Y232 HydrophobicContact CD2-CE1 4.04Å |
| 183 | A | 82.9 | Confident | 90.8 | Very high | 83 Ų | 83 | 37 Ų | 37 | 69% | 0.686 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -60.9 | -22.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D181 | D181-A183 PolarHBondContact O-N 3.36Å; D181-A183 PolarHBondContact OD1-N 3.27Å |
| 184 | N | 86.2 | Confident | 90.8 | Very high | 108 Ų | 108 | 38.4 Ų | 38.4 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -97.1 | 11.6 | 176.4 | -65.5 | -54.5 | 0 | 0 | 0 | 113.3 | D181 L182 D186 | D181-N184 PolarHBondContact O-N 3.48Å; D181-N184 VanDerWaalsContact O-N 3.08Å; D181-N184 PolarHBondContact OD2-ND2 2.98Å; L182-N184 PolarHBondContact O-N 3.05Å; L182-N184 VanDerWaalsContact O-N 3.14Å; N184-D186 PolarHBondContact O-N 3.25Å |
| 185 | S | 90.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | trans | -70.8 | 110.4 | -179.8 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | S176 L182 A187 L188 K189 | S176-S185 PolarHBondContact OG-OG 2.6Å; L182-S185 WeakPolarHBondContact O-CB 3.3Å; L182-S185 PolarHBondContact O-N 3.33Å; S185-A187 PolarHBondContact O-N 3.49Å; S185-A187 PolarHBondContact OG-N 2.8Å; S185-L188 PolarHBondContact O-N 2.56Å; S185-L188 PolarHBondContact OG-N 3.09Å; S185-K189 PolarHBondContact O-N 3.22Å; S185-K189 VanDerWaalsContact O-N 3.09Å | ||
| 186 | D | 89.9 | Confident | 90.4 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -29.4 | 173.1 | -56.3 | -44.3 | 0 | 0 | 0 | 111.5 | M141 K143 N184 L190 | M141-D186 HydrophobicContact CB-CB 3.99Å; M141-D186 HydrophobicContact CG-CB 4.09Å; K143-D186 VanDerWaalsContact CE-OD1 3.27Å; K143-D186 WeakPolarHBondContact CE-OD1 3.19Å; K143-D186 WeakPolarHBondContact CE-OD2 3.3Å; K143-D186 IonicContact NZ-OD1 2.84Å; N184-D186 PolarHBondContact O-N 3.25Å; D186-L190 WeakPolarHBondContact O-CG 3.33Å; D186-L190 PolarHBondContact O-N 2.95Å; D186-L190 VanDerWaalsContact O-N 3.11Å |
| 187 | A | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -52 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V38 A174 S185 L190 S191 | V38-A187 HydrophobicContact CG1-CB 4.46Å; A174-A187 HydrophobicContact CB-CB 4.03Å; S185-A187 PolarHBondContact O-N 3.49Å; S185-A187 PolarHBondContact OG-N 2.8Å; A187-L190 PolarHBondContact O-N 3.01Å; A187-S191 PolarHBondContact O-N 2.86Å; A187-S191 PolarHBondContact O-OG 3.26Å; A187-S191 VanDerWaalsContact O-OG 3.07Å |
| 188 | L | 92.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.1 | -34.9 | -177.8 | -68 | 169 | 0 | 0 | 0 | 111.7 | A174 L182 S185 S191 K192 L226 L228 Y232 | A174-L188 HydrophobicContact CB-CD2 3.82Å; A174-L188 HydrophobicContact CB-CG 4.41Å; L182-L188 HydrophobicContact CD1-CD1 3.56Å; L182-L188 HydrophobicContact CD2-CD1 3.89Å; L182-L188 HydrophobicContact CG-CD1 3.51Å; S185-L188 PolarHBondContact O-N 2.56Å; S185-L188 PolarHBondContact OG-N 3.09Å; L188-S191 PolarHBondContact O-N 3.5Å; L188-K192 PolarHBondContact O-N 3.35Å; L188-L226 HydrophobicContact CB-CD2 4.01Å; L188-L226 HydrophobicContact CD1-CD2 3.81Å; L188-L226 HydrophobicContact CD2-CD2 4.46Å; L188-L226 HydrophobicContact CG-CD2 4.32Å; L188-L228 HydrophobicContact CD2-CD1 3.88Å; L188-L228 HydrophobicContact CD2-CD2 4.41Å; L188-Y232 HydrophobicContact CD1-CE1 4.14Å; L188-Y232 HydrophobicContact CD2-CE1 4.23Å |
| 189 | K | 91.9 | Very high | 89.2 | Confident | 132 Ų | 132 | 51.4 Ų | 51.4 | 57% | 0.574 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.5 | -50.6 | 173.1 | -174 | 179.3 | 178.5 | -177.3 | 0 | 111.2 | S185 K192 E193 | S185-K189 PolarHBondContact O-N 3.22Å; S185-K189 VanDerWaalsContact O-N 3.09Å; K189-K192 PolarHBondContact O-N 3.32Å; K189-E193 WeakPolarHBondContact O-CG 3.22Å; K189-E193 PolarHBondContact O-N 2.99Å |
| 190 | L | 92.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 177.3 | -71 | 172.4 | 0 | 0 | 0 | 112.2 | V38 M141 R158 I161 I165 D186 A187 K192 E193 | V38-L190 HydrophobicContact CG1-CD1 4.11Å; M141-L190 HydrophobicContact CG-CD1 3.91Å; M141-L190 HydrophobicContact SD-CD1 3.91Å; R158-L190 HydrophobicContact CG-CD2 3.93Å; I161-L190 HydrophobicContact CD1-CD1 4.03Å; I161-L190 HydrophobicContact CG2-CD1 4.14Å; I165-L190 HydrophobicContact CD1-CB 4.21Å; D186-L190 WeakPolarHBondContact O-CG 3.33Å; D186-L190 PolarHBondContact O-N 2.95Å; D186-L190 VanDerWaalsContact O-N 3.11Å; A187-L190 PolarHBondContact O-N 3.01Å; L190-K192 PolarHBondContact O-N 2.94Å; L190-E193 PolarHBondContact O-N 3.42Å |
| 191 | S | 92.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -46.8 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | I172 A187 L188 E193 V194 D195 | I172-S191 VanDerWaalsContact CG2-OG 3.27Å; I172-S191 WeakPolarHBondContact CG2-OG 3.46Å; A187-S191 PolarHBondContact O-N 2.86Å; A187-S191 PolarHBondContact O-OG 3.26Å; A187-S191 VanDerWaalsContact O-OG 3.07Å; L188-S191 PolarHBondContact O-N 3.5Å; S191-E193 PolarHBondContact O-N 2.9Å; S191-V194 PolarHBondContact O-N 3.39Å; S191-D195 WeakPolarHBondContact O-CA 3.48Å; S191-D195 WeakPolarHBondContact O-CB 3.21Å; S191-D195 PolarHBondContact O-N 3.42Å |
| 192 | K | 91.3 | Very high | 89.8 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -24.3 | -179.5 | -79.6 | -157 | 170.7 | -154 | 0 | 113.5 | L188 K189 L190 P196 D751 | L188-K192 PolarHBondContact O-N 3.35Å; K189-K192 PolarHBondContact O-N 3.32Å; L190-K192 PolarHBondContact O-N 2.94Å; K192-P196 VanDerWaalsContact O-CA 3.31Å; K192-P196 WeakPolarHBondContact O-CA 3.39Å; K192-P196 WeakPolarHBondContact O-CG 3.29Å; K192-D751 IonicContact NZ-OD1 3.86Å; K192-D751 PolarHBondContact NZ-OD1 3.16Å; K192-D751 IonicContact NZ-OD2 3.4Å; K192-D751 PolarHBondContact NZ-OD2 3.2Å |
| 193 | E | 92.8 | Very high | 90.3 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.3 | -33.3 | 175.3 | -69.7 | 176.7 | -159.1 | 0 | 0 | 112.7 | R158 K189 L190 S191 | R158-E193 IonicContact CZ-OE1 3.66Å; R158-E193 VanDerWaalsContact CZ-OE1 3.32Å; R158-E193 IonicContact CZ-OE2 3.75Å; R158-E193 IonicContact NH1-OE1 2.73Å; R158-E193 PolarHBondContact NH1-OE1 3.37Å; R158-E193 IonicContact NH1-OE2 3.91Å; R158-E193 IonicContact NH2-OE1 3.11Å; R158-E193 PolarHBondContact NH2-OE1 3.37Å; R158-E193 IonicContact NH2-OE2 3.89Å; R158-E193 PolarHBondContact NH2-OE2 3.22Å; K189-E193 WeakPolarHBondContact O-CG 3.22Å; K189-E193 PolarHBondContact O-N 2.99Å; L190-E193 PolarHBondContact O-N 3.42Å; S191-E193 PolarHBondContact O-N 2.9Å |
| 194 | V | 93.2 | Very high | 90.9 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 19% | 0.194 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -108.1 | -13 | -177.1 | -58.7 | 0 | 0 | 0 | 0 | 114.1 | L162 I165 I172 S191 R200 | L162-V194 HydrophobicContact CD2-CG1 3.64Å; I165-V194 HydrophobicContact CB-CG2 4.27Å; I165-V194 HydrophobicContact CD1-CG1 4.36Å; I165-V194 HydrophobicContact CD1-CG2 3.74Å; I165-V194 HydrophobicContact CG1-CG1 4.26Å; I165-V194 HydrophobicContact CG1-CG2 3.9Å; I172-V194 HydrophobicContact CD1-CG2 3.49Å; I172-V194 VanDerWaalsContact CD1-CG2 3.49Å; S191-V194 PolarHBondContact O-N 3.39Å; V194-R200 PolarHBondContact O-NH2 3.03Å |
| 195 | D | 92.2 | Very high | 91.4 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | trans | -142.2 | 68.7 | 177.5 | -179.1 | 26 | 0 | 0 | 0 | 109.9 | I172 S191 Q197 G198 L199 R200 T201 | I172-D195 HydrophobicContact CD1-CB 4.37Å; S191-D195 WeakPolarHBondContact O-CA 3.48Å; S191-D195 WeakPolarHBondContact O-CB 3.21Å; S191-D195 PolarHBondContact O-N 3.42Å; D195-Q197 PolarHBondContact O-N 2.88Å; D195-G198 PolarHBondContact O-N 3.23Å; D195-G198 PolarHBondContact OD1-N 3.07Å; D195-G198 VanDerWaalsContact OD2-CA 3.22Å; D195-G198 WeakPolarHBondContact OD2-CA 3.17Å; D195-L199 VanDerWaalsContact CG-N 3.27Å; D195-L199 PolarHBondContact OD1-N 3.4Å; D195-L199 PolarHBondContact OD2-N 3.25Å; D195-R200 HydrophobicContact CB-CG 4.1Å; D195-R200 WeakPolarHBondContact OD2-CG 3.24Å; D195-R200 PolarHBondContact OD2-N 2.83Å; D195-T201 WeakPolarHBondContact OD2-CB 3.37Å; D195-T201 PolarHBondContact OD2-N 3.1Å; D195-T201 PolarHBondContact OD2-OG1 2.99Å | ||
| 196 | P | 90.2 | Very high | 91.6 | Very high | 89 Ų | 89 | 31.9 Ų | 31.9 | 58% | 0.578 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -30.5 | -174.9 | -23.7 | 33.3 | 0 | 0 | 0 | 113.8 | K192 G198 | K192-P196 VanDerWaalsContact O-CA 3.31Å; K192-P196 WeakPolarHBondContact O-CA 3.39Å; K192-P196 WeakPolarHBondContact O-CG 3.29Å; P196-G198 VanDerWaalsContact C-N 3.33Å |
| 197 | Q | 84.7 | Confident | 91.7 | Very high | 133 Ų | 133 | 33.2 Ų | 33.2 | 62% | 0.621 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.6 | 178.5 | -68.1 | -177.2 | 8.5 | 0 | 0 | 113.2 | D195 L199 | D195-Q197 PolarHBondContact O-N 2.88Å; Q197-L199 VanDerWaalsContact C-N 3.26Å; Q197-L199 HydrophobicContact CB-CD1 4.39Å; Q197-L199 HydrophobicContact CB-CD2 3.93Å; Q197-L199 HydrophobicContact CB-CG 3.77Å; Q197-L199 PolarHBondContact O-N 3.33Å |
| 198 | G | 86.8 | Confident | 91.8 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | trans | 61.8 | 28.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | D195 P196 R229 | D195-G198 PolarHBondContact O-N 3.23Å; D195-G198 PolarHBondContact OD1-N 3.07Å; D195-G198 VanDerWaalsContact OD2-CA 3.22Å; D195-G198 WeakPolarHBondContact OD2-CA 3.17Å; P196-G198 VanDerWaalsContact C-N 3.33Å; G198-R229 WeakPolarHBondContact O-CB 3.08Å | ||
| 199 | L | 84.5 | Confident | 91.8 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 32% | 0.319 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -68.2 | -31.6 | -175.1 | -60 | -173.8 | 0 | 0 | 0 | 113.4 | D195 Q197 R230 | D195-L199 VanDerWaalsContact CG-N 3.27Å; D195-L199 PolarHBondContact OD1-N 3.4Å; D195-L199 PolarHBondContact OD2-N 3.25Å; Q197-L199 VanDerWaalsContact C-N 3.26Å; Q197-L199 HydrophobicContact CB-CD1 4.39Å; Q197-L199 HydrophobicContact CB-CD2 3.93Å; Q197-L199 HydrophobicContact CB-CG 3.77Å; Q197-L199 PolarHBondContact O-N 3.33Å; L199-R230 PolarHBondContact O-NE 2.98Å; L199-R230 PolarHBondContact O-NH2 3.01Å |
| 200 | R | 89.2 | Confident | 91.8 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 11% | 0.109 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -126 | 9.1 | -173.7 | 60.3 | -171.7 | -179.3 | 93.8 | 1.6 | 112.5 | I165 Q167 E168 C170 L171 I172 V194 D195 | I165-R200 VanDerWaalsContact O-CZ 3.27Å; I165-R200 PolarHBondContact O-NH1 3.18Å; I165-R200 PolarHBondContact O-NH2 3.24Å; Q167-R200 PolarHBondContact O-NH1 3.05Å; E168-R200 VanDerWaalsContact O-CD 3.28Å; E168-R200 WeakPolarHBondContact O-CD 3.23Å; C170-R200 WeakPolarHBondContact O-CD 3.3Å; C170-R200 PolarHBondContact O-NH1 2.76Å; L171-R200 WeakPolarHBondContact CA-O 3.45Å; L171-R200 HydrophobicContact CD2-CB 4.16Å; I172-R200 PolarHBondContact N-O 2.96Å; V194-R200 PolarHBondContact O-NH2 3.03Å; D195-R200 HydrophobicContact CB-CG 4.1Å; D195-R200 WeakPolarHBondContact OD2-CG 3.24Å; D195-R200 PolarHBondContact OD2-N 2.83Å |
| 201 | T | 92.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.2 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | I172 A174 D195 L228 R230 | I172-T201 CarbonylContact O-C 3.58Å; I172-T201 WeakPolarHBondContact O-CA 3.26Å; A174-T201 HydrophobicContact CB-CG2 4.01Å; D195-T201 WeakPolarHBondContact OD2-CB 3.37Å; D195-T201 PolarHBondContact OD2-N 3.1Å; D195-T201 PolarHBondContact OD2-OG1 2.99Å; T201-L228 HydrophobicContact CG2-CD1 4.14Å; T201-L228 HydrophobicContact CG2-CD2 4.1Å; T201-R230 WeakPolarHBondContact O-CB 3.27Å |
| 202 | I | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.3 | 172.8 | -60.9 | 171.1 | 0 | 0 | 0 | 107.9 | I172 L173 A174 V204 R230 I233 L278 L282 Q285 | I172-I202 PolarHBondContact O-N 2.74Å; L173-I202 HydrophobicContact CD1-CB 4Å; L173-I202 HydrophobicContact CD1-CG2 3.99Å; A174-I202 PolarHBondContact N-O 2.52Å; I202-V204 HydrophobicContact CG2-CG2 4.49Å; I202-R230 HydrophobicContact CG1-CB 3.76Å; I202-R230 VanDerWaalsContact CG1-CD 3.44Å; I202-R230 HydrophobicContact CG1-CG 4.23Å; I202-I233 HydrophobicContact CG2-CD1 4.4Å; I202-L278 HydrophobicContact CG2-CD1 4.37Å; I202-L282 HydrophobicContact CD1-CD2 3.34Å; I202-Q285 HydrophobicContact CD1-CG 4.24Å |
| 203 | G | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G231 Y232 I233 | G203-G231 PolarHBondContact N-O 2.98Å; G203-G231 VanDerWaalsContact N-O 3.15Å; G203-Y232 CarbonylContact O-C 3.52Å; G203-Y232 VanDerWaalsContact O-CA 3.28Å; G203-Y232 WeakPolarHBondContact O-CA 3.26Å; G203-I233 PolarHBondContact O-N 3.34Å |
| 204 | V | 95.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | V48 L173 A174 V175 S176 I202 T206 I233 V235 L278 | V48-V204 HydrophobicContact CG2-CG1 4.28Å; L173-V204 HydrophobicContact CD1-CG2 3.35Å; L173-V204 HydrophobicContact CD2-CG2 4.25Å; L173-V204 HydrophobicContact CG-CG2 3.68Å; A174-V204 PolarHBondContact O-N 2.84Å; V175-V204 WeakPolarHBondContact CA-O 3.2Å; V175-V204 HydrophobicContact CG2-CB 4.28Å; S176-V204 PolarHBondContact N-O 3.31Å; I202-V204 HydrophobicContact CG2-CG2 4.49Å; V204-T206 HydrophobicContact CG1-CG2 4.17Å; V204-I233 WeakPolarHBondContact CA-O 3.32Å; V204-V235 HydrophobicContact CG1-CG1 4.31Å; V204-V235 HydrophobicContact CG1-CG2 3.68Å; V204-L278 HydrophobicContact CG1-CD2 4.21Å; V204-L278 HydrophobicContact CG2-CD1 3.9Å; V204-L278 HydrophobicContact CG2-CD2 3.94Å |
| 205 | V | 95.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 110.6 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | S176 A178 L208 I220 L221 Y232 I233 G234 V235 | S176-V205 CarbonylContact O-C 3.57Å; S176-V205 VanDerWaalsContact O-CA 3.31Å; S176-V205 WeakPolarHBondContact O-CA 3.36Å; A178-V205 HydrophobicContact CB-CG1 3.66Å; V205-L208 HydrophobicContact CG1-CD2 3.88Å; V205-L208 HydrophobicContact CG1-CG 4.22Å; V205-I220 HydrophobicContact CG2-CG2 3.79Å; V205-L221 HydrophobicContact CB-CD2 4Å; V205-L221 HydrophobicContact CG2-CD2 3.94Å; V205-Y232 HydrophobicContact CG2-CD1 3.93Å; V205-I233 PolarHBondContact N-O 3.28Å; V205-G234 CarbonylContact O-C 3.57Å; V205-G234 WeakPolarHBondContact O-CA 3.46Å; V205-V235 PolarHBondContact O-N 3.39Å |
| 206 | T | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 173.6 | -178.9 | 70.2 | 0 | 0 | 0 | 0 | 111.1 | A43 V48 V175 S176 A178 V204 L208 V235 | A43-T206 WeakPolarHBondContact O-CG2 3.48Å; A43-T206 PolarHBondContact O-OG1 2.98Å; V48-T206 HydrophobicContact CG2-CG2 4Å; V175-T206 HydrophobicContact CG1-CG2 3.47Å; V175-T206 VanDerWaalsContact CG1-CG2 3.47Å; S176-T206 PolarHBondContact O-N 3.07Å; A178-T206 VanDerWaalsContact CB-O 3.23Å; A178-T206 WeakPolarHBondContact CB-O 3.42Å; A178-T206 PolarHBondContact N-O 3.28Å; V204-T206 HydrophobicContact CG1-CG2 4.17Å; T206-L208 PolarHBondContact O-N 2.91Å; T206-V235 WeakPolarHBondContact CA-O 3.34Å; T206-V235 HydrophobicContact CG2-CG2 3.72Å |
| 207 | K | 93.2 | Very high | 90.8 | Very high | 56 Ų | 56 | 50.1 Ų | 50.1 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | trans | 57.7 | 30.8 | 172 | -55.2 | -174.5 | -172.6 | 179 | 0 | 114.6 | S42 P177 D209 L210 | S42-K207 WeakPolarHBondContact O-CE 3.27Å; S42-K207 PolarHBondContact O-NZ 3.37Å; P177-K207 HydrophobicContact CB-CD 3.9Å; P177-K207 HydrophobicContact CB-CG 4.39Å; K207-D209 WeakPolarHBondContact CA-OD1 3.49Å; K207-D209 PolarHBondContact O-N 3.08Å; K207-L210 HydrophobicContact CB-CB 4.33Å; K207-L210 HydrophobicContact CB-CD1 4.21Å; K207-L210 HydrophobicContact CB-CG 4.49Å; K207-L210 HydrophobicContact CD-CD1 4.19Å; K207-L210 HydrophobicContact CG-CD1 4.26Å; K207-L210 PolarHBondContact O-N 2.85Å | ||
| 208 | L | 93.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -61.8 | -24.6 | 176.5 | -72 | 162.3 | 0 | 0 | 0 | 112.6 | A178 V205 T206 L210 M211 A217 L221 V236 F259 F260 Y266 | A178-L208 HydrophobicContact CB-CD2 3.61Å; A178-L208 HydrophobicContact CB-CG 4.02Å; V205-L208 HydrophobicContact CG1-CD2 3.88Å; V205-L208 HydrophobicContact CG1-CG 4.22Å; T206-L208 PolarHBondContact O-N 2.91Å; L208-L210 VanDerWaalsContact C-N 3.29Å; L208-M211 HydrophobicContact CD2-SD 4.05Å; L208-A217 HydrophobicContact CD2-CB 3.67Å; L208-L221 HydrophobicContact CD1-CD1 4.22Å; L208-L221 HydrophobicContact CD2-CD1 4.19Å; L208-V236 HydrophobicContact CB-CG2 4.28Å; L208-F259 HydrophobicContact CB-CE1 3.83Å; L208-F259 HydrophobicContact CB-CZ 3.93Å; L208-F260 HydrophobicContact CD1-CE1 3.76Å; L208-F260 HydrophobicContact CD1-CZ 3.76Å; L208-Y266 HydrophobicContact CD2-CE2 4.39Å |
| 209 | D | 92 | Very high | 91.4 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -75.7 | -13.2 | 175.4 | 61 | -52.7 | 0 | 0 | 0 | 114 | K207 V236 F259 | K207-D209 WeakPolarHBondContact CA-OD1 3.49Å; K207-D209 PolarHBondContact O-N 3.08Å; D209-V236 HydrophobicContact CB-CG1 4.05Å; D209-F259 HydrophobicContact CB-CD2 4.41Å; D209-F259 HydrophobicContact CB-CE2 4.03Å; D209-F259 HydrophobicContact CB-CZ 4.48Å |
| 210 | L | 91.9 | Very high | 91.8 | Very high | 97 Ų | 97 | 52.5 Ų | 52.5 | 51% | 0.508 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -109.2 | 15.4 | -178.2 | -57.1 | 179.3 | 0 | 0 | 0 | 112.9 | K207 L208 | K207-L210 HydrophobicContact CB-CB 4.33Å; K207-L210 HydrophobicContact CB-CD1 4.21Å; K207-L210 HydrophobicContact CB-CG 4.49Å; K207-L210 HydrophobicContact CD-CD1 4.19Å; K207-L210 HydrophobicContact CG-CD1 4.26Å; K207-L210 PolarHBondContact O-N 2.85Å; L208-L210 VanDerWaalsContact C-N 3.29Å |
| 211 | M | 91.6 | Very high | 92 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 18% | 0.177 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -71.8 | 150 | 173.9 | -65 | -171.3 | 70.5 | 0 | 0 | 111.1 | A178 L208 A217 Y266 | A178-M211 HydrophobicContact CB-CG 3.74Å; A178-M211 HydrophobicContact CB-SD 3.71Å; L208-M211 HydrophobicContact CD2-SD 4.05Å; M211-A217 HydrophobicContact CE-CB 4.06Å; M211-A217 HydrophobicContact SD-CB 3.84Å; M211-Y266 PolarHBondContact SD-OH 3.39Å |
| 212 | D | 88.8 | Confident | 91.9 | Very high | 128 Ų | 128 | 53.8 Ų | 53.8 | 68% | 0.684 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 138.5 | 177.8 | -69.6 | -30.7 | 0 | 0 | 0 | 110.5 | G214 T215 | D212-G214 PolarHBondContact O-N 3.08Å; D212-T215 HydrophobicContact CB-CG2 4.28Å; D212-T215 PolarHBondContact N-OG1 3.15Å; D212-T215 PolarHBondContact O-N 2.69Å; D212-T215 PolarHBondContact O-OG1 2.87Å |
| 213 | Q | 85.6 | Confident | 91.9 | Very high | 203 Ų | 203 | 55.9 Ų | 55.9 | 95% | 0.949 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 126.7 | 179.5 | -68.7 | -174.6 | 4.1 | 0 | 0 | 110.5 | ||
| 214 | G | 86.5 | Confident | 91.6 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 91% | 0.907 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | -6.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D212 | D212-G214 PolarHBondContact O-N 3.08Š|
| 215 | T | 90.3 | Very high | 91 | Very high | 70 Ų | 70 | 67.1 Ų | 67.1 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | trans | -106.1 | 155 | 172.7 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | D212 | D212-T215 HydrophobicContact CB-CG2 4.28Å; D212-T215 PolarHBondContact N-OG1 3.15Å; D212-T215 PolarHBondContact O-N 2.69Å; D212-T215 PolarHBondContact O-OG1 2.87Å | ||
| 216 | D | 91.1 | Very high | 90.6 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 35% | 0.353 | 35% | 0.354 | S | S | . | . | trans | -146.3 | 163.1 | 170.9 | 68.2 | 52.4 | 0 | 0 | 0 | 111.1 | R218 S265 Y266 | D216-R218 VanDerWaalsContact C-N 3.34Å; D216-R218 WeakPolarHBondContact OD1-CB 3.43Å; D216-R218 PolarHBondContact OD1-N 3.47Å; D216-S265 WeakPolarHBondContact OD2-CB 3.5Å; D216-S265 PolarHBondContact OD2-OG 2.68Å; D216-Y266 HydrophobicContact CB-CE1 4.2Å | ||
| 217 | A | 92.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.033 | 36% | 0.358 | C | S | . | . | trans | -99.8 | 26.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L208 M211 E219 I220 L221 Y266 | L208-A217 HydrophobicContact CD2-CB 3.67Å; M211-A217 HydrophobicContact CE-CB 4.06Å; M211-A217 HydrophobicContact SD-CB 3.84Å; A217-E219 PolarHBondContact O-N 2.81Å; A217-I220 HydrophobicContact CB-CD1 4.21Å; A217-I220 WeakPolarHBondContact O-CB 3.25Å; A217-I220 PolarHBondContact O-N 2.76Å; A217-L221 WeakPolarHBondContact O-CG 3.36Å; A217-L221 PolarHBondContact O-N 3.43Å; A217-Y266 PolarHBondContact N-OH 2.63Å | ||
| 218 | R | 92.5 | Very high | 90 | Very high | 105 Ų | 105 | 66.8 Ų | 66.8 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | -171.3 | -178.4 | -179.1 | 174.2 | -177.7 | -1.4 | 112.2 | D216 I220 L221 E222 M269 | D216-R218 VanDerWaalsContact C-N 3.34Å; D216-R218 WeakPolarHBondContact OD1-CB 3.43Å; D216-R218 PolarHBondContact OD1-N 3.47Å; R218-I220 PolarHBondContact O-N 3.28Å; R218-L221 PolarHBondContact O-N 2.73Å; R218-E222 HydrophobicContact CG-CG 4.17Å; R218-E222 IonicContact CZ-OE1 2.82Å; R218-E222 IonicContact NE-OE1 3.7Å; R218-E222 PolarHBondContact NE-OE1 2.9Å; R218-E222 IonicContact NH2-OE1 3.5Å; R218-E222 PolarHBondContact NH2-OE1 3.07Å; R218-E222 VanDerWaalsContact O-CB 3.31Å; R218-E222 WeakPolarHBondContact O-CB 3.14Å; R218-E222 VanDerWaalsContact O-CG 3.31Å; R218-E222 WeakPolarHBondContact O-CG 3.35Å; R218-E222 PolarHBondContact O-N 3.2Å; R218-M269 HydrophobicContact CG-CE 4Å |
| 219 | E | 90.5 | Very high | 89.6 | Confident | 123 Ų | 123 | 69.1 Ų | 69.1 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.3 | -31.1 | -179.8 | -63.5 | -172.3 | 166.6 | 0 | 0 | 112.7 | A217 R224 L225 | A217-E219 PolarHBondContact O-N 2.81Å; E219-R224 WeakPolarHBondContact O-CB 3.48Å; E219-R224 PolarHBondContact O-N 3.35Å; E219-L225 PolarHBondContact O-N 2.92Å |
| 220 | I | 92.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.1 | -53.1 | 175 | -59.6 | 170 | 0 | 0 | 0 | 109.8 | L182 V205 A217 R218 E222 N223 L225 Y232 | L182-I220 HydrophobicContact CB-CD1 3.81Å; L182-I220 HydrophobicContact CB-CG1 4.36Å; L182-I220 HydrophobicContact CD1-CG2 4.36Å; L182-I220 HydrophobicContact CD2-CB 4.26Å; L182-I220 HydrophobicContact CD2-CD1 4.12Å; L182-I220 HydrophobicContact CD2-CG1 3.89Å; L182-I220 HydrophobicContact CD2-CG2 3.53Å; L182-I220 HydrophobicContact CG-CD1 4.39Å; L182-I220 HydrophobicContact CG-CG2 4.49Å; V205-I220 HydrophobicContact CG2-CG2 3.79Å; A217-I220 HydrophobicContact CB-CD1 4.21Å; A217-I220 WeakPolarHBondContact O-CB 3.25Å; A217-I220 PolarHBondContact O-N 2.76Å; R218-I220 PolarHBondContact O-N 3.28Å; I220-E222 VanDerWaalsContact C-N 3.26Å; I220-E222 PolarHBondContact O-N 3.13Å; I220-N223 WeakPolarHBondContact O-CA 3.35Å; I220-N223 PolarHBondContact O-N 3.18Å; I220-L225 HydrophobicContact CD1-CD2 4.45Å; I220-L225 HydrophobicContact CG1-CB 4.43Å; I220-L225 HydrophobicContact CG1-CD2 3.88Å; I220-Y232 HydrophobicContact CG2-CD1 3.93Å; I220-Y232 HydrophobicContact CG2-CD2 4.4Å; I220-Y232 HydrophobicContact CG2-CE1 4.24Å; I220-Y232 HydrophobicContact CG2-CG 4.03Å; I220-Y232 WeakPolarHBondContact O-CD2 3.49Å |
| 221 | L | 93.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -26.8 | -177.5 | -65.3 | 179.4 | 0 | 0 | 0 | 112.9 | V205 L208 A217 R218 N223 Y266 M269 M273 | V205-L221 HydrophobicContact CB-CD2 4Å; V205-L221 HydrophobicContact CG2-CD2 3.94Å; L208-L221 HydrophobicContact CD1-CD1 4.22Å; L208-L221 HydrophobicContact CD2-CD1 4.19Å; A217-L221 WeakPolarHBondContact O-CG 3.36Å; A217-L221 PolarHBondContact O-N 3.43Å; R218-L221 PolarHBondContact O-N 2.73Å; L221-N223 PolarHBondContact O-N 3.3Å; L221-Y266 HydrophobicContact CD1-CD1 3.9Å; L221-Y266 HydrophobicContact CD1-CE1 3.81Å; L221-M269 HydrophobicContact CB-CE 4.36Å; L221-M269 HydrophobicContact CB-SD 3.62Å; L221-M269 HydrophobicContact CD1-SD 4.01Å; L221-M269 HydrophobicContact CG-SD 4.48Å; L221-M273 HydrophobicContact CB-CE 3.91Å; L221-M273 HydrophobicContact CD1-CE 4.45Å; L221-M273 HydrophobicContact CD1-SD 4.04Å; L221-M273 HydrophobicContact CD2-CE 4.18Å; L221-M273 HydrophobicContact CD2-SD 3.94Å; L221-M273 HydrophobicContact CG-CE 4.4Å; L221-M273 HydrophobicContact CG-SD 4.4Å |
| 222 | E | 92.1 | Very high | 89.5 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 22% | 0.22 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.5 | 169.9 | -68.5 | -173.7 | -179 | 0 | 0 | 113.3 | R218 I220 R224 H268 M269 | R218-E222 HydrophobicContact CG-CG 4.17Å; R218-E222 IonicContact CZ-OE1 2.82Å; R218-E222 IonicContact NE-OE1 3.7Å; R218-E222 PolarHBondContact NE-OE1 2.9Å; R218-E222 IonicContact NH2-OE1 3.5Å; R218-E222 PolarHBondContact NH2-OE1 3.07Å; R218-E222 VanDerWaalsContact O-CB 3.31Å; R218-E222 WeakPolarHBondContact O-CB 3.14Å; R218-E222 VanDerWaalsContact O-CG 3.31Å; R218-E222 WeakPolarHBondContact O-CG 3.35Å; R218-E222 PolarHBondContact O-N 3.2Å; I220-E222 VanDerWaalsContact C-N 3.26Å; I220-E222 PolarHBondContact O-N 3.13Å; E222-R224 VanDerWaalsContact C-N 3.26Å; E222-R224 HydrophobicContact CB-CG 4.01Å; E222-R224 PolarHBondContact O-N 2.86Å; E222-R224 IonicContact OE2-CZ 2.64Å; E222-R224 IonicContact OE2-NE 3.11Å; E222-R224 PolarHBondContact OE2-NE 3.48Å; E222-R224 IonicContact OE2-NH2 3.36Å; E222-R224 PolarHBondContact OE2-NH2 3.21Å; E222-H268 IonicContact OE1-CD2 3.79Å; E222-H268 IonicContact OE1-CE1 2.84Å; E222-H268 IonicContact OE1-NE2 2.58Å; E222-H268 PolarHBondContact OE1-NE2 3.49Å; E222-M269 HydrophobicContact CG-CE 3.6Å |
| 223 | N | 91.2 | Very high | 89.8 | Confident | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 30.7 | 177.3 | -157.5 | 44.4 | 0 | 0 | 0 | 113.7 | I220 L221 P227 L228 Y232 | I220-N223 WeakPolarHBondContact O-CA 3.35Å; I220-N223 PolarHBondContact O-N 3.18Å; L221-N223 PolarHBondContact O-N 3.3Å; N223-P227 WeakPolarHBondContact OD1-CA 3.19Å; N223-L228 PolarHBondContact ND2-O 2.96Å; N223-L228 PolarHBondContact OD1-N 3.05Å; N223-L228 PolarHBondContact OD1-O 3.36Å; N223-Y232 HydrophobicContact CB-CD2 4.46Å; N223-Y232 WeakPolarHBondContact OD1-CD2 3.5Å; N223-Y232 VanDerWaalsContact OD1-CE2 3.29Å; N223-Y232 WeakPolarHBondContact OD1-CE2 3.32Å |
| 224 | R | 88.5 | Confident | 90.3 | Very high | 174 Ų | 174 | 47.3 Ų | 47.3 | 66% | 0.657 | 25% | 0.246 | S | C | * | . | trans | -94.1 | -35.9 | -176.9 | -58.8 | -172 | -168.9 | -142.6 | 3.6 | 113.4 | E219 E222 | E219-R224 WeakPolarHBondContact O-CB 3.48Å; E219-R224 PolarHBondContact O-N 3.35Å; E222-R224 VanDerWaalsContact C-N 3.26Å; E222-R224 HydrophobicContact CB-CG 4.01Å; E222-R224 PolarHBondContact O-N 2.86Å; E222-R224 IonicContact OE2-CZ 2.64Å; E222-R224 IonicContact OE2-NE 3.11Å; E222-R224 PolarHBondContact OE2-NE 3.48Å; E222-R224 IonicContact OE2-NH2 3.36Å; E222-R224 PolarHBondContact OE2-NH2 3.21Å | ||
| 225 | L | 84.3 | Confident | 90.7 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 33% | 0.33 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -74.9 | -58 | -173.1 | -174.9 | 70 | 0 | 0 | 0 | 113 | L182 E219 I220 W753 | L182-L225 HydrophobicContact CB-CD2 4.26Å; L182-L225 HydrophobicContact CD2-CD2 4.39Å; E219-L225 PolarHBondContact O-N 2.92Å; I220-L225 HydrophobicContact CD1-CD2 4.45Å; I220-L225 HydrophobicContact CG1-CB 4.43Å; I220-L225 HydrophobicContact CG1-CD2 3.88Å; L225-W753 WeakPolarHBondContact O-CH2 3.42Å; L225-W753 WeakPolarHBondContact O-CZ2 3.42Å |
| 226 | L | 85.6 | Confident | 90.8 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -130.2 | 87.2 | 176.4 | -171.1 | 86.2 | 0 | 0 | 0 | 108.4 | L182 L188 L228 Y232 | L182-L226 HydrophobicContact CD2-CB 4.38Å; L188-L226 HydrophobicContact CB-CD2 4.01Å; L188-L226 HydrophobicContact CD1-CD2 3.81Å; L188-L226 HydrophobicContact CD2-CD2 4.46Å; L188-L226 HydrophobicContact CG-CD2 4.32Å; L226-L228 PolarHBondContact O-N 2.95Å; L226-Y232 WeakPolarHBondContact O-CE2 3.38Å; L226-Y232 VanDerWaalsContact O-CZ 3.29Å; L226-Y232 PolarHBondContact O-OH 2.91Å |
| 227 | P | 87.4 | Confident | 90.8 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | trans | -65.4 | 134.5 | -167 | 22.6 | -31.9 | 0 | 0 | 0 | 113.3 | N223 V749 | N223-P227 WeakPolarHBondContact OD1-CA 3.19Å; P227-V749 HydrophobicContact CB-CB 3.94Å; P227-V749 HydrophobicContact CB-CG1 3.26Å; P227-V749 HydrophobicContact CB-CG2 4.15Å; P227-V749 HydrophobicContact CG-CB 4.32Å; P227-V749 HydrophobicContact CG-CG1 3.46Å; P227-V749 VanDerWaalsContact CG-CG1 3.46Å | ||
| 228 | L | 89.3 | Confident | 90.5 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | trans | -113.7 | 145.8 | 168.8 | -65.6 | 175.2 | 0 | 0 | 0 | 109.9 | L188 T201 N223 L226 R230 G231 Y232 | L188-L228 HydrophobicContact CD2-CD1 3.88Å; L188-L228 HydrophobicContact CD2-CD2 4.41Å; T201-L228 HydrophobicContact CG2-CD1 4.14Å; T201-L228 HydrophobicContact CG2-CD2 4.1Å; N223-L228 PolarHBondContact ND2-O 2.96Å; N223-L228 PolarHBondContact OD1-N 3.05Å; N223-L228 PolarHBondContact OD1-O 3.36Å; L226-L228 PolarHBondContact O-N 2.95Å; L228-R230 PolarHBondContact O-N 3.2Å; L228-G231 PolarHBondContact O-N 3.28Å; L228-Y232 HydrophobicContact CB-CE2 4.38Å; L228-Y232 HydrophobicContact CD1-CD1 4.42Å; L228-Y232 HydrophobicContact CD1-CE1 3.79Å; L228-Y232 HydrophobicContact CD1-CE2 3.97Å; L228-Y232 HydrophobicContact CG-CE2 3.96Å | ||
| 229 | R | 85.8 | Confident | 90.1 | Very high | 53 Ų | 53 | 36.1 Ų | 36.1 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29 | 179.4 | -162.5 | 173.1 | 177.9 | 175 | -7.1 | 112.6 | G198 I745 P746 | G198-R229 WeakPolarHBondContact O-CB 3.08Å; R229-I745 HydrophobicContact CG-CG2 4Å; R229-I745 VanDerWaalsContact NE-CG2 3.32Å; R229-P746 PolarHBondContact NE-O 3Å; R229-P746 PolarHBondContact NH2-O 2.96Å; R229-P746 VanDerWaalsContact NH2-O 3.1Å; R229-P746 WeakPolarHBondContact O-CG 3.45Å |
| 230 | R | 87.7 | Confident | 89.7 | Confident | 45 Ų | 45 | 35.4 Ų | 35.4 | 17% | 0.17 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 2.4 | 176.2 | -51 | -174.1 | 176.3 | -75.6 | 11.6 | 113.7 | L199 T201 I202 L228 | L199-R230 PolarHBondContact O-NE 2.98Å; L199-R230 PolarHBondContact O-NH2 3.01Å; T201-R230 WeakPolarHBondContact O-CB 3.27Å; I202-R230 HydrophobicContact CG1-CB 3.76Å; I202-R230 VanDerWaalsContact CG1-CD 3.44Å; I202-R230 HydrophobicContact CG1-CG 4.23Å; L228-R230 PolarHBondContact O-N 3.2Å |
| 231 | G | 91.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | trans | 67.3 | -165.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G203 L228 | G203-G231 PolarHBondContact N-O 2.98Å; G203-G231 VanDerWaalsContact N-O 3.15Å; L228-G231 PolarHBondContact O-N 3.28Å | ||
| 232 | Y | 94.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 46 Ų | 46 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.6 | 178.8 | -68.2 | -92.4 | 0 | 0 | 0 | 111 | L182 L188 G203 V205 I220 N223 L226 L228 | L182-Y232 HydrophobicContact CD2-CE1 4.04Å; L188-Y232 HydrophobicContact CD1-CE1 4.14Å; L188-Y232 HydrophobicContact CD2-CE1 4.23Å; G203-Y232 CarbonylContact O-C 3.52Å; G203-Y232 VanDerWaalsContact O-CA 3.28Å; G203-Y232 WeakPolarHBondContact O-CA 3.26Å; V205-Y232 HydrophobicContact CG2-CD1 3.93Å; I220-Y232 HydrophobicContact CG2-CD1 3.93Å; I220-Y232 HydrophobicContact CG2-CD2 4.4Å; I220-Y232 HydrophobicContact CG2-CE1 4.24Å; I220-Y232 HydrophobicContact CG2-CG 4.03Å; I220-Y232 WeakPolarHBondContact O-CD2 3.49Å; N223-Y232 HydrophobicContact CB-CD2 4.46Å; N223-Y232 WeakPolarHBondContact OD1-CD2 3.5Å; N223-Y232 VanDerWaalsContact OD1-CE2 3.29Å; N223-Y232 WeakPolarHBondContact OD1-CE2 3.32Å; L226-Y232 WeakPolarHBondContact O-CE2 3.38Å; L226-Y232 VanDerWaalsContact O-CZ 3.29Å; L226-Y232 PolarHBondContact O-OH 2.91Å; L228-Y232 HydrophobicContact CB-CE2 4.38Å; L228-Y232 HydrophobicContact CD1-CD1 4.42Å; L228-Y232 HydrophobicContact CD1-CE1 3.79Å; L228-Y232 HydrophobicContact CD1-CE2 3.97Å; L228-Y232 HydrophobicContact CG-CE2 3.96Å |
| 233 | I | 95 | Very high | 88.4 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.9 | 175.4 | -57.8 | 173.8 | 0 | 0 | 0 | 108.6 | I202 G203 V204 V205 V235 F277 L278 T281 | I202-I233 HydrophobicContact CG2-CD1 4.4Å; G203-I233 PolarHBondContact O-N 3.34Å; V204-I233 WeakPolarHBondContact CA-O 3.32Å; V205-I233 PolarHBondContact N-O 3.28Å; I233-V235 HydrophobicContact CG2-CG1 4.48Å; I233-F277 HydrophobicContact CD1-CD1 3.84Å; I233-F277 HydrophobicContact CD1-CE1 3.88Å; I233-F277 HydrophobicContact CG1-CD1 4.07Å; I233-F277 HydrophobicContact CG1-CE1 4.08Å; I233-F277 HydrophobicContact CG2-CD1 4.1Å; I233-L278 HydrophobicContact CB-CD1 4.23Å; I233-L278 HydrophobicContact CD1-CB 4.47Å; I233-L278 HydrophobicContact CD1-CD1 3.66Å; I233-L278 HydrophobicContact CG1-CD1 4.49Å; I233-L278 HydrophobicContact CG2-CB 3.97Å; I233-L278 HydrophobicContact CG2-CD1 4.37Å; I233-T281 HydrophobicContact CD1-CG2 4Å |
| 234 | G | 95.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V205 F260 M273 G274 | V205-G234 CarbonylContact O-C 3.57Å; V205-G234 WeakPolarHBondContact O-CA 3.46Å; G234-F260 VanDerWaalsContact O-CZ 3.31Å; G234-F260 WeakPolarHBondContact O-CZ 3.47Å; G234-M273 PolarHBondContact N-SD 3.29Å; G234-G274 WeakPolarHBondContact O-CA 3.34Å; G234-G274 PolarHBondContact O-N 2.87Å |
| 235 | V | 94.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -133.2 | 144.3 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | V48 V204 V205 T206 I233 E256 L278 | V48-V235 HydrophobicContact CG2-CG2 4.13Å; V204-V235 HydrophobicContact CG1-CG1 4.31Å; V204-V235 HydrophobicContact CG1-CG2 3.68Å; V205-V235 PolarHBondContact O-N 3.39Å; T206-V235 WeakPolarHBondContact CA-O 3.34Å; T206-V235 HydrophobicContact CG2-CG2 3.72Å; I233-V235 HydrophobicContact CG2-CG1 4.48Å; V235-E256 WeakPolarHBondContact CA-OE1 3.25Å; V235-L278 HydrophobicContact CG1-CD2 3.93Å | ||
| 236 | V | 93.6 | Very high | 87.6 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | trans | -116.8 | 109.2 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | L208 D209 E256 F259 F260 | L208-V236 HydrophobicContact CB-CG2 4.28Å; D209-V236 HydrophobicContact CB-CG1 4.05Å; V236-E256 HydrophobicContact CB-CB 4.35Å; V236-E256 HydrophobicContact CB-CG 4.06Å; V236-E256 PolarHBondContact N-OE1 2.67Å; V236-F259 HydrophobicContact CG2-CD1 3.47Å; V236-F259 VanDerWaalsContact CG2-CD1 3.47Å; V236-F259 HydrophobicContact CG2-CE1 3.7Å; V236-F259 HydrophobicContact CG2-CG 4.03Å; V236-F259 HydrophobicContact CG2-CZ 4.43Å; V236-F260 HydrophobicContact CG2-CE2 4.18Å; V236-F260 HydrophobicContact CG2-CZ 4.14Å | ||
| 237 | N | 90.1 | Very high | 87.5 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -87.1 | 165.2 | -176.5 | -64.9 | -32.6 | 0 | 0 | 0 | 111 | N51 S239 | N51-N237 PolarHBondContact ND2-OD1 3.48Å; N237-S239 PolarHBondContact O-N 3.23Å |
| 238 | R | 87.1 | Confident | 87.2 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 130.2 | 167.8 | -74.2 | -179.3 | -75.9 | 157 | 8.2 | 109.8 | D56 D242 I243 K247 A252 | D56-R238 IonicContact OD1-CZ 2.69Å; D56-R238 IonicContact OD1-NH1 3.33Å; D56-R238 PolarHBondContact OD1-NH1 2.81Å; D56-R238 IonicContact OD1-NH2 3.42Å; D56-R238 PolarHBondContact OD1-NH2 3.16Å; D56-R238 IonicContact OD2-CZ 2.79Å; D56-R238 IonicContact OD2-NH1 2.78Å; D56-R238 PolarHBondContact OD2-NH1 3.38Å; D56-R238 IonicContact OD2-NH2 3.52Å; D56-R238 PolarHBondContact OD2-NH2 3.44Å; R238-D242 HydrophobicContact CB-CB 3.83Å; R238-D242 HydrophobicContact CG-CB 4.16Å; R238-I243 HydrophobicContact CB-CG1 3.98Å; R238-K247 WeakPolarHBondContact CD-O 3.34Å; R238-K247 PolarHBondContact NH1-O 3.09Å; R238-A252 HydrophobicContact CG-CB 3.52Å |
| 239 | S | 84 | Confident | 86.7 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 164.7 | 173.3 | 67.8 | 0 | 0 | 0 | 0 | 110.8 | N237 R241 D242 I243 | N237-S239 PolarHBondContact O-N 3.23Å; S239-R241 PolarHBondContact O-N 2.9Å; S239-D242 WeakPolarHBondContact CB-OD2 3.33Å; S239-D242 PolarHBondContact N-OD2 3.07Å; S239-D242 WeakPolarHBondContact O-CA 3.21Å; S239-D242 WeakPolarHBondContact O-CB 3.46Å; S239-D242 PolarHBondContact O-N 3.36Å; S239-D242 PolarHBondContact OG-N 3.46Å; S239-D242 PolarHBondContact OG-OD2 2.91Å; S239-I243 WeakPolarHBondContact O-CD1 3.35Å; S239-I243 WeakPolarHBondContact O-CG1 3.47Å; S239-I243 PolarHBondContact O-N 3.49Å |
| 240 | Q | 80.8 | Confident | 86.5 | Confident | 108 Ų | 108 | 61.8 Ų | 61.8 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.7 | -38.4 | 175.4 | -174 | 59.8 | 29.4 | 0 | 0 | 111.8 | I243 E244 | Q240-I243 PolarHBondContact O-N 3.22Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.48Å; Q240-E244 PolarHBondContact NE2-OE1 2.89Å; Q240-E244 WeakPolarHBondContact O-CG 3.4Å; Q240-E244 PolarHBondContact O-N 3.35Å |
| 241 | R | 84.7 | Confident | 86.5 | Confident | 212 Ų | 212 | 61.8 Ų | 61.8 | 80% | 0.8 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 174.3 | -66.9 | -177 | -178.7 | 171.7 | 1.1 | 112.9 | S239 I243 G245 | S239-R241 PolarHBondContact O-N 2.9Å; R241-I243 VanDerWaalsContact C-N 3.29Å; R241-I243 PolarHBondContact O-N 3.39Å; R241-G245 PolarHBondContact O-N 3.5Å |
| 242 | D | 85 | Confident | 86.2 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 176.6 | -66.9 | -56.5 | 0 | 0 | 0 | 111.5 | R238 S239 G245 R246 K247 | R238-D242 HydrophobicContact CB-CB 3.83Å; R238-D242 HydrophobicContact CG-CB 4.16Å; S239-D242 WeakPolarHBondContact CB-OD2 3.33Å; S239-D242 PolarHBondContact N-OD2 3.07Å; S239-D242 WeakPolarHBondContact O-CA 3.21Å; S239-D242 WeakPolarHBondContact O-CB 3.46Å; S239-D242 PolarHBondContact O-N 3.36Å; S239-D242 PolarHBondContact OG-N 3.46Å; S239-D242 PolarHBondContact OG-OD2 2.91Å; D242-G245 CarbonylContact O-C 3.52Å; D242-R246 PolarHBondContact O-N 2.87Å; D242-R246 VanDerWaalsContact O-N 3.14Å; D242-K247 HydrophobicContact CB-CB 3.97Å; D242-K247 HydrophobicContact CB-CD 3.78Å; D242-K247 WeakPolarHBondContact O-CB 3.23Å; D242-K247 PolarHBondContact O-N 3.27Å; D242-K247 WeakPolarHBondContact OD1-CD 3.45Å; D242-K247 IonicContact OD1-NZ 2.71Å; D242-K247 PolarHBondContact OD1-NZ 3.21Å; D242-K247 IonicContact OD2-NZ 2.92Å |
| 243 | I | 80.2 | Confident | 85.9 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72 | -48.9 | 178.6 | -64.8 | 153.9 | 0 | 0 | 0 | 110.5 | R238 S239 Q240 R241 G245 R246 | R238-I243 HydrophobicContact CB-CG1 3.98Å; S239-I243 WeakPolarHBondContact O-CD1 3.35Å; S239-I243 WeakPolarHBondContact O-CG1 3.47Å; S239-I243 PolarHBondContact O-N 3.49Å; Q240-I243 PolarHBondContact O-N 3.22Å; R241-I243 VanDerWaalsContact C-N 3.29Å; R241-I243 PolarHBondContact O-N 3.39Å; I243-G245 PolarHBondContact O-N 3.16Å; I243-R246 PolarHBondContact O-N 3.35Å |
| 244 | E | 81.5 | Confident | 85.6 | Confident | 136 Ų | 136 | 66.6 Ų | 66.6 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.8 | -36.9 | 174.2 | -73 | 166.4 | -167.7 | 0 | 0 | 111.3 | Q240 R246 | Q240-E244 WeakPolarHBondContact CG-OE1 3.48Å; Q240-E244 PolarHBondContact NE2-OE1 2.89Å; Q240-E244 WeakPolarHBondContact O-CG 3.4Å; Q240-E244 PolarHBondContact O-N 3.35Å; E244-R246 VanDerWaalsContact C-N 3.27Å; E244-R246 PolarHBondContact O-N 2.94Å |
| 245 | G | 84.3 | Confident | 85.5 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 61% | 0.608 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 3.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R241 D242 I243 K247 | R241-G245 PolarHBondContact O-N 3.5Å; D242-G245 CarbonylContact O-C 3.52Å; I243-G245 PolarHBondContact O-N 3.16Å; G245-K247 VanDerWaalsContact C-N 3.26Å; G245-K247 PolarHBondContact O-N 3.37Å |
| 246 | R | 82 | Confident | 85.4 | Confident | 209 Ų | 209 | 68.7 Ų | 68.7 | 79% | 0.789 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 42 | -178.3 | -61.9 | -176.8 | 175.3 | 178.1 | -4.7 | 113.9 | D242 I243 E244 D248 | D242-R246 PolarHBondContact O-N 2.87Å; D242-R246 VanDerWaalsContact O-N 3.14Å; I243-R246 PolarHBondContact O-N 3.35Å; E244-R246 VanDerWaalsContact C-N 3.27Å; E244-R246 PolarHBondContact O-N 2.94Å; R246-D248 PolarHBondContact O-N 3.25Å |
| 247 | K | 82.7 | Confident | 85.4 | Confident | 62 Ų | 62 | 72.8 Ų | 72.8 | 27% | 0.27 | 37% | 0.369 | S | S | . | . | trans | -59.4 | 124.8 | 177.1 | -175.4 | 175.4 | -175.8 | 178.6 | 0 | 110.3 | R238 D242 G245 A251 | R238-K247 WeakPolarHBondContact CD-O 3.34Å; R238-K247 PolarHBondContact NH1-O 3.09Å; D242-K247 HydrophobicContact CB-CB 3.97Å; D242-K247 HydrophobicContact CB-CD 3.78Å; D242-K247 WeakPolarHBondContact O-CB 3.23Å; D242-K247 PolarHBondContact O-N 3.27Å; D242-K247 WeakPolarHBondContact OD1-CD 3.45Å; D242-K247 IonicContact OD1-NZ 2.71Å; D242-K247 PolarHBondContact OD1-NZ 3.21Å; D242-K247 IonicContact OD2-NZ 2.92Å; G245-K247 VanDerWaalsContact C-N 3.26Å; G245-K247 PolarHBondContact O-N 3.37Å; K247-A251 HydrophobicContact CG-CB 4.19Å | ||
| 248 | D | 82 | Confident | 85.6 | Confident | 98 Ų | 98 | 79.1 Ų | 79.1 | 52% | 0.524 | 40% | 0.396 | S | S | . | . | trans | -58.3 | 144.2 | 177.8 | 179.1 | 36.1 | 0 | 0 | 0 | 111.7 | R246 K250 A251 A252 | R246-D248 PolarHBondContact O-N 3.25Å; D248-K250 VanDerWaalsContact C-N 3.29Å; D248-K250 PolarHBondContact O-N 2.73Å; D248-K250 WeakPolarHBondContact OD2-CB 3.49Å; D248-A251 HydrophobicContact CB-CB 4.43Å; D248-A251 WeakPolarHBondContact O-CB 3.19Å; D248-A251 PolarHBondContact O-N 3.43Å; D248-A251 VanDerWaalsContact O-N 3.11Å; D248-A252 PolarHBondContact O-N 3.33Å | ||
| 249 | I | 78.5 | Confident | 86 | Confident | 29 Ų | 29 | 80.2 Ų | 80.2 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.8 | -34.2 | -176.8 | -110.8 | 173.1 | 0 | 0 | 0 | 111.9 | G54 A251 A252 L253 | G54-I249 VanDerWaalsContact C-CD1 3.43Å; G54-I249 VanDerWaalsContact CA-CD1 3.48Å; I249-A251 VanDerWaalsContact C-N 3.29Å; I249-A251 PolarHBondContact O-N 2.95Å; I249-A252 WeakPolarHBondContact O-CB 3.44Å; I249-A252 PolarHBondContact O-N 2.72Å; I249-A252 VanDerWaalsContact O-N 3.15Å; I249-L253 HydrophobicContact CG2-CD1 4.33Å; I249-L253 WeakPolarHBondContact O-CG 3.48Å; I249-L253 PolarHBondContact O-N 3.34Å |
| 250 | K | 81.6 | Confident | 86.5 | Confident | 144 Ų | 144 | 78.3 Ų | 78.3 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 175.4 | -62.7 | 178.3 | 179.1 | 171.8 | 0 | 111.1 | D248 A252 A254 | D248-K250 VanDerWaalsContact C-N 3.29Å; D248-K250 PolarHBondContact O-N 2.73Å; D248-K250 WeakPolarHBondContact OD2-CB 3.49Å; K250-A252 VanDerWaalsContact C-N 3.33Å; K250-A254 WeakPolarHBondContact O-CB 3.14Å; K250-A254 PolarHBondContact O-N 2.91Å |
| 251 | A | 87.3 | Confident | 87.2 | Confident | 45 Ų | 45 | 76.8 Ų | 76.8 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | K247 D248 I249 A255 | K247-A251 HydrophobicContact CG-CB 4.19Å; D248-A251 HydrophobicContact CB-CB 4.43Å; D248-A251 WeakPolarHBondContact O-CB 3.19Å; D248-A251 PolarHBondContact O-N 3.43Å; D248-A251 VanDerWaalsContact O-N 3.11Å; I249-A251 VanDerWaalsContact C-N 3.29Å; I249-A251 PolarHBondContact O-N 2.95Å; A251-A255 WeakPolarHBondContact O-CB 3.28Å; A251-A255 PolarHBondContact O-N 3.06Å |
| 252 | A | 86.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R238 D248 I249 K250 A254 A255 E256 | R238-A252 HydrophobicContact CG-CB 3.52Å; D248-A252 PolarHBondContact O-N 3.33Å; I249-A252 WeakPolarHBondContact O-CB 3.44Å; I249-A252 PolarHBondContact O-N 2.72Å; I249-A252 VanDerWaalsContact O-N 3.15Å; K250-A252 VanDerWaalsContact C-N 3.33Å; A252-A254 VanDerWaalsContact C-N 3.32Å; A252-A254 PolarHBondContact O-N 3.36Å; A252-A255 WeakPolarHBondContact O-CB 3.47Å; A252-A255 PolarHBondContact O-N 2.9Å; A252-A255 VanDerWaalsContact O-N 3.16Å; A252-E256 PolarHBondContact O-N 3.41Å |
| 253 | L | 86.2 | Confident | 87.9 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 176.4 | -67.2 | 174.2 | 0 | 0 | 0 | 112.2 | I249 E256 R257 T275 P276 | I249-L253 HydrophobicContact CG2-CD1 4.33Å; I249-L253 WeakPolarHBondContact O-CG 3.48Å; I249-L253 PolarHBondContact O-N 3.34Å; L253-E256 PolarHBondContact O-N 3.3Å; L253-R257 WeakPolarHBondContact O-CB 3.41Å; L253-R257 PolarHBondContact O-N 3.4Å; L253-T275 HydrophobicContact CD2-CG2 4.01Å; L253-P276 HydrophobicContact CD2-CG 4.2Å |
| 254 | A | 90.4 | Very high | 88.5 | Confident | 62 Ų | 62 | 75 Ų | 75 | 51% | 0.512 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | K250 A252 R257 K258 | K250-A254 WeakPolarHBondContact O-CB 3.14Å; K250-A254 PolarHBondContact O-N 2.91Å; A252-A254 VanDerWaalsContact C-N 3.32Å; A252-A254 PolarHBondContact O-N 3.36Å; A254-R257 PolarHBondContact O-N 3.32Å; A254-K258 WeakPolarHBondContact O-CB 3.49Å; A254-K258 PolarHBondContact O-N 2.96Å |
| 255 | A | 91.8 | Very high | 89 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 35% | 0.347 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A251 A252 K258 F259 | A251-A255 WeakPolarHBondContact O-CB 3.28Å; A251-A255 PolarHBondContact O-N 3.06Å; A252-A255 WeakPolarHBondContact O-CB 3.47Å; A252-A255 PolarHBondContact O-N 2.9Å; A252-A255 VanDerWaalsContact O-N 3.16Å; A255-K258 PolarHBondContact O-N 2.97Å; A255-F259 PolarHBondContact O-N 3.32Å |
| 256 | E | 93.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.019 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 174.3 | 177.7 | -179.4 | -124.9 | 0 | 0 | 111 | V235 V236 A252 L253 K258 F259 F260 G274 T275 | V235-E256 WeakPolarHBondContact CA-OE1 3.25Å; V236-E256 HydrophobicContact CB-CB 4.35Å; V236-E256 HydrophobicContact CB-CG 4.06Å; V236-E256 PolarHBondContact N-OE1 2.67Å; A252-E256 PolarHBondContact O-N 3.41Å; L253-E256 PolarHBondContact O-N 3.3Å; E256-K258 VanDerWaalsContact C-N 3.29Å; E256-K258 PolarHBondContact O-N 2.98Å; E256-F259 WeakPolarHBondContact O-CB 3.32Å; E256-F259 PolarHBondContact O-N 3.23Å; E256-F259 VanDerWaalsContact O-N 3.13Å; E256-F260 HydrophobicContact CG-CD2 3.91Å; E256-F260 HydrophobicContact CG-CE2 3.62Å; E256-F260 VanDerWaalsContact O-CD2 3.27Å; E256-F260 WeakPolarHBondContact O-CD2 3.28Å; E256-F260 PolarHBondContact O-N 3.29Å; E256-F260 VanDerWaalsContact O-N 3.11Å; E256-G274 VanDerWaalsContact CD-CA 3.41Å; E256-G274 WeakPolarHBondContact OE1-CA 3.47Å; E256-G274 WeakPolarHBondContact OE2-CA 3.46Å; E256-T275 VanDerWaalsContact CD-N 3.27Å; E256-T275 PolarHBondContact OE1-N 2.94Å; E256-T275 VanDerWaalsContact OE1-N 3.13Å; E256-T275 PolarHBondContact OE1-OG1 3.49Å; E256-T275 WeakPolarHBondContact OE2-CB 3.48Å; E256-T275 PolarHBondContact OE2-N 3.35Å; E256-T275 PolarHBondContact OE2-OG1 3.07Å |
| 257 | R | 92.9 | Very high | 90.1 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 39% | 0.389 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.3 | -176.2 | 60.1 | 174.8 | 179.6 | 1.7 | 111.6 | L253 A254 F260 L261 A270 D271 | L253-R257 WeakPolarHBondContact O-CB 3.41Å; L253-R257 PolarHBondContact O-N 3.4Å; A254-R257 PolarHBondContact O-N 3.32Å; R257-F260 PolarHBondContact O-N 2.91Å; R257-L261 HydrophobicContact CG-CD1 3.98Å; R257-L261 WeakPolarHBondContact O-CB 3.42Å; R257-L261 VanDerWaalsContact O-CG 3.32Å; R257-L261 WeakPolarHBondContact O-CG 3.46Å; R257-L261 PolarHBondContact O-N 3.41Å; R257-L261 VanDerWaalsContact O-N 3.09Å; R257-A270 VanDerWaalsContact NH1-C 3.31Å; R257-A270 PolarHBondContact NH1-O 3.21Å; R257-D271 IonicContact CZ-OD1 2.81Å; R257-D271 VanDerWaalsContact CZ-OD1 3.3Å; R257-D271 IonicContact NH1-OD1 3.62Å; R257-D271 PolarHBondContact NH1-OD1 3.11Å; R257-D271 IonicContact NH2-OD1 3.75Å; R257-D271 PolarHBondContact NH2-OD1 3.38Å |
| 258 | K | 94.5 | Very high | 90.5 | Very high | 154 Ų | 154 | 67 Ų | 67 | 67% | 0.67 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 175.6 | -174.2 | 179.7 | 178.3 | -177.9 | 0 | 111.6 | A254 A255 E256 L261 S262 | A254-K258 WeakPolarHBondContact O-CB 3.49Å; A254-K258 PolarHBondContact O-N 2.96Å; A255-K258 PolarHBondContact O-N 2.97Å; E256-K258 VanDerWaalsContact C-N 3.29Å; E256-K258 PolarHBondContact O-N 2.98Å; K258-L261 PolarHBondContact O-N 3.15Å; K258-S262 VanDerWaalsContact O-CB 3.25Å; K258-S262 WeakPolarHBondContact O-CB 3.43Å; K258-S262 PolarHBondContact O-N 3.48Å; K258-S262 PolarHBondContact O-OG 2.92Å |
| 259 | F | 94.7 | Very high | 91.1 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.2 | -54.9 | 175.9 | 172.6 | -94.2 | 0 | 0 | 0 | 111 | L208 D209 V236 A255 E256 L261 S262 H263 Y266 | L208-F259 HydrophobicContact CB-CE1 3.83Å; L208-F259 HydrophobicContact CB-CZ 3.93Å; D209-F259 HydrophobicContact CB-CD2 4.41Å; D209-F259 HydrophobicContact CB-CE2 4.03Å; D209-F259 HydrophobicContact CB-CZ 4.48Å; V236-F259 HydrophobicContact CG2-CD1 3.47Å; V236-F259 VanDerWaalsContact CG2-CD1 3.47Å; V236-F259 HydrophobicContact CG2-CE1 3.7Å; V236-F259 HydrophobicContact CG2-CG 4.03Å; V236-F259 HydrophobicContact CG2-CZ 4.43Å; A255-F259 PolarHBondContact O-N 3.32Å; E256-F259 WeakPolarHBondContact O-CB 3.32Å; E256-F259 PolarHBondContact O-N 3.23Å; E256-F259 VanDerWaalsContact O-N 3.13Å; F259-L261 VanDerWaalsContact C-N 3.33Å; F259-L261 PolarHBondContact O-N 2.85Å; F259-S262 PolarHBondContact O-N 2.84Å; F259-S262 PolarHBondContact O-OG 3.04Å; F259-H263 AromaticContact CE2-CD2 3.97Å; F259-H263 AromaticContact CZ-CD2 3.89Å; F259-H263 WeakPolarHBondContact O-CB 3.45Å; F259-H263 PolarHBondContact O-N 3Å; F259-Y266 AromaticContact CE1-CD2 3.95Å; F259-Y266 HydrophobicContact CE1-CD2 3.95Å; F259-Y266 HydrophobicContact CE1-CE2 4.06Å; F259-Y266 HydrophobicContact CZ-CD2 4.29Å; F259-Y266 HydrophobicContact CZ-CE2 4.06Å |
| 260 | F | 95.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -35.5 | -178.5 | -73.1 | -66.2 | 0 | 0 | 0 | 113.8 | L208 G234 V236 E256 R257 Y266 R267 A270 M273 | L208-F260 HydrophobicContact CD1-CE1 3.76Å; L208-F260 HydrophobicContact CD1-CZ 3.76Å; G234-F260 VanDerWaalsContact O-CZ 3.31Å; G234-F260 WeakPolarHBondContact O-CZ 3.47Å; V236-F260 HydrophobicContact CG2-CE2 4.18Å; V236-F260 HydrophobicContact CG2-CZ 4.14Å; E256-F260 HydrophobicContact CG-CD2 3.91Å; E256-F260 HydrophobicContact CG-CE2 3.62Å; E256-F260 VanDerWaalsContact O-CD2 3.27Å; E256-F260 WeakPolarHBondContact O-CD2 3.28Å; E256-F260 PolarHBondContact O-N 3.29Å; E256-F260 VanDerWaalsContact O-N 3.11Å; R257-F260 PolarHBondContact O-N 2.91Å; F260-Y266 HydrophobicContact CD1-CD2 4.4Å; F260-Y266 HydrophobicContact CD1-CG 4.48Å; F260-R267 WeakPolarHBondContact O-CA 3.27Å; F260-R267 PolarHBondContact O-N 3.13Å; F260-A270 HydrophobicContact CB-CB 3.81Å; F260-M273 HydrophobicContact CD1-CB 3.64Å; F260-M273 HydrophobicContact CD1-CG 4.04Å; F260-M273 HydrophobicContact CD2-CB 4Å; F260-M273 HydrophobicContact CE1-CB 3.63Å; F260-M273 HydrophobicContact CE1-CG 3.98Å; F260-M273 HydrophobicContact CE1-SD 4.48Å; F260-M273 HydrophobicContact CE2-CB 3.98Å; F260-M273 HydrophobicContact CG-CB 3.85Å; F260-M273 HydrophobicContact CZ-CB 3.82Å |
| 261 | L | 94.7 | Very high | 92.2 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 40% | 0.403 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.4 | -28.8 | 177.7 | -70.7 | 174.6 | 0 | 0 | 0 | 113.5 | R257 K258 F259 A270 | R257-L261 HydrophobicContact CG-CD1 3.98Å; R257-L261 WeakPolarHBondContact O-CB 3.42Å; R257-L261 VanDerWaalsContact O-CG 3.32Å; R257-L261 WeakPolarHBondContact O-CG 3.46Å; R257-L261 PolarHBondContact O-N 3.41Å; R257-L261 VanDerWaalsContact O-N 3.09Å; K258-L261 PolarHBondContact O-N 3.15Å; F259-L261 VanDerWaalsContact C-N 3.33Å; F259-L261 PolarHBondContact O-N 2.85Å; L261-A270 HydrophobicContact CD2-CB 3.79Å; L261-A270 HydrophobicContact CG-CB 4.35Å |
| 262 | S | 93.8 | Very high | 92.3 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -91.5 | -22.7 | -177.3 | 61 | 0 | 0 | 0 | 0 | 113.9 | K258 F259 | K258-S262 VanDerWaalsContact O-CB 3.25Å; K258-S262 WeakPolarHBondContact O-CB 3.43Å; K258-S262 PolarHBondContact O-N 3.48Å; K258-S262 PolarHBondContact O-OG 2.92Å; F259-S262 PolarHBondContact O-N 2.84Å; F259-S262 PolarHBondContact O-OG 3.04Å |
| 263 | H | 92.5 | Very high | 92.7 | Very high | 50 Ų | 50 | 63.9 Ų | 63.9 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | trans | -75.8 | 123.7 | -179.4 | -159.3 | -75.1 | 0 | 0 | 0 | 111.8 | F259 S265 Y266 R267 | F259-H263 AromaticContact CE2-CD2 3.97Å; F259-H263 AromaticContact CZ-CD2 3.89Å; F259-H263 WeakPolarHBondContact O-CB 3.45Å; F259-H263 PolarHBondContact O-N 3Å; H263-S265 VanDerWaalsContact C-N 3.33Å; H263-S265 PolarHBondContact ND1-N 3.3Å; H263-S265 PolarHBondContact O-N 3.44Å; H263-Y266 HydrophobicContact CB-CD2 3.76Å; H263-Y266 HydrophobicContact CB-CG 4.4Å; H263-Y266 AromaticContact CD2-CE2 3.94Å; H263-Y266 AromaticContact CE1-CD2 3.97Å; H263-Y266 AromaticContact CE1-CE2 3.64Å; H263-Y266 AromaticContact CG-CD2 3.45Å; H263-Y266 VanDerWaalsContact CG-CD2 3.45Å; H263-Y266 AromaticContact CG-CE2 3.79Å; H263-Y266 AromaticContact ND1-CD2 3.42Å; H263-Y266 WeakPolarHBondContact ND1-CD2 3.41Å; H263-Y266 AromaticContact ND1-CE2 3.59Å; H263-Y266 AromaticContact ND1-CG 3.95Å; H263-Y266 AromaticContact NE2-CE2 3.86Å; H263-Y266 PolarHBondContact O-N 2.96Å; H263-R267 WeakPolarHBondContact O-CB 3.3Å; H263-R267 PolarHBondContact O-N 3.33Å | ||
| 264 | S | 92.3 | Very high | 92.9 | Very high | 107 Ų | 107 | 61.4 Ų | 61.4 | 75% | 0.748 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -43.2 | -176.6 | 50 | 0 | 0 | 0 | 0 | 113.1 | ||
| 265 | S | 92.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.1 | -178.1 | -50.2 | 0 | 0 | 0 | 0 | 115.3 | D216 H263 H268 | D216-S265 WeakPolarHBondContact OD2-CB 3.5Å; D216-S265 PolarHBondContact OD2-OG 2.68Å; H263-S265 VanDerWaalsContact C-N 3.33Å; H263-S265 PolarHBondContact ND1-N 3.3Å; H263-S265 PolarHBondContact O-N 3.44Å; S265-H268 PolarHBondContact O-CE1 3.06Å; S265-H268 PolarHBondContact O-ND1 3.42Å |
| 266 | Y | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -10.7 | -174.4 | -49.7 | -43 | 0 | 0 | 0 | 113.7 | L208 M211 D216 A217 L221 F259 F260 H263 H268 M269 A270 | L208-Y266 HydrophobicContact CD2-CE2 4.39Å; M211-Y266 PolarHBondContact SD-OH 3.39Å; D216-Y266 HydrophobicContact CB-CE1 4.2Å; A217-Y266 PolarHBondContact N-OH 2.63Å; L221-Y266 HydrophobicContact CD1-CD1 3.9Å; L221-Y266 HydrophobicContact CD1-CE1 3.81Å; F259-Y266 AromaticContact CE1-CD2 3.95Å; F259-Y266 HydrophobicContact CE1-CD2 3.95Å; F259-Y266 HydrophobicContact CE1-CE2 4.06Å; F259-Y266 HydrophobicContact CZ-CD2 4.29Å; F259-Y266 HydrophobicContact CZ-CE2 4.06Å; F260-Y266 HydrophobicContact CD1-CD2 4.4Å; F260-Y266 HydrophobicContact CD1-CG 4.48Å; H263-Y266 HydrophobicContact CB-CD2 3.76Å; H263-Y266 HydrophobicContact CB-CG 4.4Å; H263-Y266 AromaticContact CD2-CE2 3.94Å; H263-Y266 AromaticContact CE1-CD2 3.97Å; H263-Y266 AromaticContact CE1-CE2 3.64Å; H263-Y266 AromaticContact CG-CD2 3.45Å; H263-Y266 VanDerWaalsContact CG-CD2 3.45Å; H263-Y266 AromaticContact CG-CE2 3.79Å; H263-Y266 AromaticContact ND1-CD2 3.42Å; H263-Y266 WeakPolarHBondContact ND1-CD2 3.41Å; H263-Y266 AromaticContact ND1-CE2 3.59Å; H263-Y266 AromaticContact ND1-CG 3.95Å; H263-Y266 AromaticContact NE2-CE2 3.86Å; H263-Y266 PolarHBondContact O-N 2.96Å; Y266-H268 PolarHBondContact O-N 3Å; Y266-H268 VanDerWaalsContact O-N 3.14Å; Y266-M269 HydrophobicContact CD1-SD 4.24Å; Y266-M269 CarbonylContact O-C 3.44Å; Y266-M269 WeakPolarHBondContact O-CG 3.33Å; Y266-M269 PolarHBondContact O-N 2.78Å; Y266-A270 PolarHBondContact O-N 2.66Å |
| 267 | R | 93.4 | Very high | 92.1 | Very high | 182 Ų | 182 | 63 Ų | 63 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -53.6 | -37.9 | -176.3 | -179.9 | 174.7 | 174.1 | 165.8 | -0.3 | 113.4 | F260 H263 M269 | F260-R267 WeakPolarHBondContact O-CA 3.27Å; F260-R267 PolarHBondContact O-N 3.13Å; H263-R267 WeakPolarHBondContact O-CB 3.3Å; H263-R267 PolarHBondContact O-N 3.33Å; R267-M269 VanDerWaalsContact C-N 3.26Å; R267-M269 PolarHBondContact O-N 3.37Å |
| 268 | H | 92.6 | Very high | 91.9 | Very high | 97 Ų | 97 | 58.1 Ų | 58.1 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -73.5 | -14.5 | 179.5 | 67.8 | -70.9 | 0 | 0 | 0 | 114.1 | E222 S265 Y266 | E222-H268 IonicContact OE1-CD2 3.79Å; E222-H268 IonicContact OE1-CE1 2.84Å; E222-H268 IonicContact OE1-NE2 2.58Å; E222-H268 PolarHBondContact OE1-NE2 3.49Å; S265-H268 PolarHBondContact O-CE1 3.06Å; S265-H268 PolarHBondContact O-ND1 3.42Å; Y266-H268 PolarHBondContact O-N 3Å; Y266-H268 VanDerWaalsContact O-N 3.14Å |
| 269 | M | 92.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -116.1 | 4.2 | 179.9 | 64.5 | 177.8 | 78.8 | 0 | 0 | 113.3 | R218 L221 E222 Y266 R267 D271 R272 M273 | R218-M269 HydrophobicContact CG-CE 4Å; L221-M269 HydrophobicContact CB-CE 4.36Å; L221-M269 HydrophobicContact CB-SD 3.62Å; L221-M269 HydrophobicContact CD1-SD 4.01Å; L221-M269 HydrophobicContact CG-SD 4.48Å; E222-M269 HydrophobicContact CG-CE 3.6Å; Y266-M269 HydrophobicContact CD1-SD 4.24Å; Y266-M269 CarbonylContact O-C 3.44Å; Y266-M269 WeakPolarHBondContact O-CG 3.33Å; Y266-M269 PolarHBondContact O-N 2.78Å; R267-M269 VanDerWaalsContact C-N 3.26Å; R267-M269 PolarHBondContact O-N 3.37Å; M269-D271 PolarHBondContact O-N 3.03Å; M269-R272 PolarHBondContact O-N 2.92Å; M269-M273 HydrophobicContact CB-CE 4.39Å; M269-M273 HydrophobicContact CG-CE 4.21Å; M269-M273 HydrophobicContact CG-CG 4.03Å; M269-M273 VanDerWaalsContact O-CG 3.31Å; M269-M273 WeakPolarHBondContact O-CG 3.46Å; M269-M273 HydrophobicContact SD-CE 3.69Å; M269-M273 HydrophobicContact SD-CG 4.4Å; M269-M273 HydrophobicContact SD-SD 4.42Å |
| 270 | A | 92.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -54.1 | -27.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R257 F260 L261 Y266 R272 M273 | R257-A270 VanDerWaalsContact NH1-C 3.31Å; R257-A270 PolarHBondContact NH1-O 3.21Å; F260-A270 HydrophobicContact CB-CB 3.81Å; L261-A270 HydrophobicContact CD2-CB 3.79Å; L261-A270 HydrophobicContact CG-CB 4.35Å; Y266-A270 PolarHBondContact O-N 2.66Å; A270-R272 VanDerWaalsContact C-N 3.33Å; A270-M273 PolarHBondContact O-N 3.31Å |
| 271 | D | 91 | Very high | 89.7 | Confident | 113 Ų | 113 | 54 Ų | 54 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -75.9 | -17.5 | 177.2 | -64 | -27.1 | 0 | 0 | 0 | 114.2 | R257 M269 F277 | R257-D271 IonicContact CZ-OD1 2.81Å; R257-D271 VanDerWaalsContact CZ-OD1 3.3Å; R257-D271 IonicContact NH1-OD1 3.62Å; R257-D271 PolarHBondContact NH1-OD1 3.11Å; R257-D271 IonicContact NH2-OD1 3.75Å; R257-D271 PolarHBondContact NH2-OD1 3.38Å; M269-D271 PolarHBondContact O-N 3.03Å; D271-F277 VanDerWaalsContact O-CD2 3.28Å; D271-F277 WeakPolarHBondContact O-CD2 3.35Å |
| 272 | R | 91 | Very high | 89 | Confident | 134 Ų | 134 | 50.5 Ų | 50.5 | 51% | 0.506 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -104.8 | 16.7 | 174.2 | -60.7 | -169.7 | -60.1 | -80.4 | -1.1 | 112.4 | M269 A270 F277 | M269-R272 PolarHBondContact O-N 2.92Å; A270-R272 VanDerWaalsContact C-N 3.33Å; R272-F277 HydrophobicContact CB-CD1 4.39Å; R272-F277 HydrophobicContact CB-CE1 3.94Å; R272-F277 HydrophobicContact CB-CE2 4.28Å; R272-F277 HydrophobicContact CB-CZ 3.89Å; R272-F277 HydrophobicContact CG-CE2 4.22Å; R272-F277 HydrophobicContact CG-CZ 4.03Å; R272-F277 WeakPolarHBondContact O-CD1 3.5Å; R272-F277 VanDerWaalsContact O-CE1 3.31Å; R272-F277 WeakPolarHBondContact O-CE1 3.41Å |
| 273 | M | 93.5 | Very high | 88 | Confident | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.054 | 24% | 0.238 | C | C | . | . | trans | -127.6 | 162.6 | -176.3 | -62.5 | -65.4 | 145.5 | 0 | 0 | 110.6 | L221 G234 F260 M269 A270 | L221-M273 HydrophobicContact CB-CE 3.91Å; L221-M273 HydrophobicContact CD1-CE 4.45Å; L221-M273 HydrophobicContact CD1-SD 4.04Å; L221-M273 HydrophobicContact CD2-CE 4.18Å; L221-M273 HydrophobicContact CD2-SD 3.94Å; L221-M273 HydrophobicContact CG-CE 4.4Å; L221-M273 HydrophobicContact CG-SD 4.4Å; G234-M273 PolarHBondContact N-SD 3.29Å; F260-M273 HydrophobicContact CD1-CB 3.64Å; F260-M273 HydrophobicContact CD1-CG 4.04Å; F260-M273 HydrophobicContact CD2-CB 4Å; F260-M273 HydrophobicContact CE1-CB 3.63Å; F260-M273 HydrophobicContact CE1-CG 3.98Å; F260-M273 HydrophobicContact CE1-SD 4.48Å; F260-M273 HydrophobicContact CE2-CB 3.98Å; F260-M273 HydrophobicContact CG-CB 3.85Å; F260-M273 HydrophobicContact CZ-CB 3.82Å; M269-M273 HydrophobicContact CB-CE 4.39Å; M269-M273 HydrophobicContact CG-CE 4.21Å; M269-M273 HydrophobicContact CG-CG 4.03Å; M269-M273 VanDerWaalsContact O-CG 3.31Å; M269-M273 WeakPolarHBondContact O-CG 3.46Å; M269-M273 HydrophobicContact SD-CE 3.69Å; M269-M273 HydrophobicContact SD-CG 4.4Å; M269-M273 HydrophobicContact SD-SD 4.42Å; A270-M273 PolarHBondContact O-N 3.31Å | ||
| 274 | G | 91.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 90.6 | 164.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G234 E256 P276 F277 L278 | G234-G274 WeakPolarHBondContact O-CA 3.34Å; G234-G274 PolarHBondContact O-N 2.87Å; E256-G274 VanDerWaalsContact CD-CA 3.41Å; E256-G274 WeakPolarHBondContact OE1-CA 3.47Å; E256-G274 WeakPolarHBondContact OE2-CA 3.46Å; G274-P276 VanDerWaalsContact C-CD 3.47Å; G274-F277 PolarHBondContact O-N 3.29Å; G274-L278 PolarHBondContact O-N 3.17Å |
| 275 | T | 88 | Confident | 86.4 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.9 | -42.8 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 112.7 | N51 L253 E256 F277 L278 Q279 | N51-T275 HydrophobicContact CB-CG2 3.78Å; L253-T275 HydrophobicContact CD2-CG2 4.01Å; E256-T275 VanDerWaalsContact CD-N 3.27Å; E256-T275 PolarHBondContact OE1-N 2.94Å; E256-T275 VanDerWaalsContact OE1-N 3.13Å; E256-T275 PolarHBondContact OE1-OG1 3.49Å; E256-T275 WeakPolarHBondContact OE2-CB 3.48Å; E256-T275 PolarHBondContact OE2-N 3.35Å; E256-T275 PolarHBondContact OE2-OG1 3.07Å; T275-F277 VanDerWaalsContact C-N 3.33Å; T275-F277 PolarHBondContact O-N 3.32Å; T275-L278 WeakPolarHBondContact O-CB 3.33Å; T275-L278 PolarHBondContact O-N 3.12Å; T275-Q279 WeakPolarHBondContact O-CG 3.12Å; T275-Q279 PolarHBondContact O-N 3.46Å |
| 276 | P | 83.2 | Confident | 85.4 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 179.6 | -23 | 35.6 | 0 | 0 | 0 | 113.2 | L253 G274 Q279 S280 | L253-P276 HydrophobicContact CD2-CG 4.2Å; G274-P276 VanDerWaalsContact C-CD 3.47Å; P276-Q279 PolarHBondContact O-N 3.42Å; P276-S280 PolarHBondContact O-N 3.05Å |
| 277 | F | 87.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 44 Ų | 44 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.6 | -39.1 | 176.3 | -175.6 | -99.3 | 0 | 0 | 0 | 111.3 | I233 D271 R272 G274 T275 S280 T281 | I233-F277 HydrophobicContact CD1-CD1 3.84Å; I233-F277 HydrophobicContact CD1-CE1 3.88Å; I233-F277 HydrophobicContact CG1-CD1 4.07Å; I233-F277 HydrophobicContact CG1-CE1 4.08Å; I233-F277 HydrophobicContact CG2-CD1 4.1Å; D271-F277 VanDerWaalsContact O-CD2 3.28Å; D271-F277 WeakPolarHBondContact O-CD2 3.35Å; R272-F277 HydrophobicContact CB-CD1 4.39Å; R272-F277 HydrophobicContact CB-CE1 3.94Å; R272-F277 HydrophobicContact CB-CE2 4.28Å; R272-F277 HydrophobicContact CB-CZ 3.89Å; R272-F277 HydrophobicContact CG-CE2 4.22Å; R272-F277 HydrophobicContact CG-CZ 4.03Å; R272-F277 WeakPolarHBondContact O-CD1 3.5Å; R272-F277 VanDerWaalsContact O-CE1 3.31Å; R272-F277 WeakPolarHBondContact O-CE1 3.41Å; G274-F277 PolarHBondContact O-N 3.29Å; T275-F277 VanDerWaalsContact C-N 3.33Å; T275-F277 PolarHBondContact O-N 3.32Å; F277-S280 PolarHBondContact O-N 3.37Å; F277-T281 WeakPolarHBondContact CE1-OG1 3.46Å; F277-T281 WeakPolarHBondContact O-CB 3.32Å; F277-T281 PolarHBondContact O-N 3.09Å; F277-T281 PolarHBondContact O-OG1 3.29Å |
| 278 | L | 88 | Confident | 83.4 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 172.8 | -175.5 | 56.4 | 0 | 0 | 0 | 111.3 | V48 F52 L173 I202 V204 I233 V235 G274 T275 S280 T281 L282 | V48-L278 HydrophobicContact CG1-CD2 4.02Å; F52-L278 HydrophobicContact CE2-CD2 3.74Å; F52-L278 HydrophobicContact CE2-CG 3.84Å; F52-L278 HydrophobicContact CZ-CB 4.46Å; F52-L278 HydrophobicContact CZ-CD2 4.27Å; F52-L278 HydrophobicContact CZ-CG 3.83Å; L173-L278 HydrophobicContact CD1-CD1 4.23Å; I202-L278 HydrophobicContact CG2-CD1 4.37Å; V204-L278 HydrophobicContact CG1-CD2 4.21Å; V204-L278 HydrophobicContact CG2-CD1 3.9Å; V204-L278 HydrophobicContact CG2-CD2 3.94Å; I233-L278 HydrophobicContact CB-CD1 4.23Å; I233-L278 HydrophobicContact CD1-CB 4.47Å; I233-L278 HydrophobicContact CD1-CD1 3.66Å; I233-L278 HydrophobicContact CG1-CD1 4.49Å; I233-L278 HydrophobicContact CG2-CB 3.97Å; I233-L278 HydrophobicContact CG2-CD1 4.37Å; V235-L278 HydrophobicContact CG1-CD2 3.93Å; G274-L278 PolarHBondContact O-N 3.17Å; T275-L278 WeakPolarHBondContact O-CB 3.33Å; T275-L278 PolarHBondContact O-N 3.12Å; L278-S280 PolarHBondContact O-N 3.28Å; L278-T281 PolarHBondContact O-N 3.16Å; L278-L282 HydrophobicContact CD1-CG 4.4Å; L278-L282 WeakPolarHBondContact O-CG 3.33Å; L278-L282 PolarHBondContact O-N 2.9Å |
| 279 | Q | 79.6 | Confident | 82.4 | Confident | 33 Ų | 33 | 33 Ų | 33 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | 175 | -79.1 | 175.4 | -18.8 | 0 | 0 | 112.5 | M7 N51 F52 T275 P276 T281 L282 N283 | M7-Q279 HydrophobicContact CE-CB 4.12Å; M7-Q279 VanDerWaalsContact CE-O 3.32Å; M7-Q279 WeakPolarHBondContact CE-O 3.26Å; N51-Q279 PolarHBondContact O-NE2 3.44Å; F52-Q279 HydrophobicContact CD1-CG 3.63Å; F52-Q279 HydrophobicContact CE1-CB 4Å; F52-Q279 HydrophobicContact CE1-CG 3.31Å; F52-Q279 HydrophobicContact CE2-CG 4.4Å; F52-Q279 HydrophobicContact CG-CG 4.29Å; F52-Q279 HydrophobicContact CZ-CB 4.33Å; F52-Q279 HydrophobicContact CZ-CG 3.7Å; T275-Q279 WeakPolarHBondContact O-CG 3.12Å; T275-Q279 PolarHBondContact O-N 3.46Å; P276-Q279 PolarHBondContact O-N 3.42Å; Q279-T281 VanDerWaalsContact C-N 3.29Å; Q279-T281 PolarHBondContact O-N 3.18Å; Q279-L282 PolarHBondContact O-N 2.92Å; Q279-N283 WeakPolarHBondContact O-CB 3.42Å; Q279-N283 PolarHBondContact O-N 3.34Å |
| 280 | S | 76.9 | Confident | 81.2 | Confident | 64 Ų | 64 | 33.2 Ų | 33.2 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61 | -39.5 | 177.1 | -174 | 0 | 0 | 0 | 0 | 112.1 | P276 F277 L278 N283 Q284 | P276-S280 PolarHBondContact O-N 3.05Å; F277-S280 PolarHBondContact O-N 3.37Å; L278-S280 PolarHBondContact O-N 3.28Å; S280-N283 PolarHBondContact O-N 2.86Å; S280-Q284 WeakPolarHBondContact O-CB 3.48Å; S280-Q284 PolarHBondContact O-N 2.96Å |
| 281 | T | 81.5 | Confident | 80.2 | Confident | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.6 | -47.5 | 179.9 | -58 | 0 | 0 | 0 | 0 | 111 | I233 F277 L278 Q279 N283 Q284 Q285 | I233-T281 HydrophobicContact CD1-CG2 4Å; F277-T281 WeakPolarHBondContact CE1-OG1 3.46Å; F277-T281 WeakPolarHBondContact O-CB 3.32Å; F277-T281 PolarHBondContact O-N 3.09Å; F277-T281 PolarHBondContact O-OG1 3.29Å; L278-T281 PolarHBondContact O-N 3.16Å; Q279-T281 VanDerWaalsContact C-N 3.29Å; Q279-T281 PolarHBondContact O-N 3.18Å; T281-N283 VanDerWaalsContact C-N 3.29Å; T281-N283 PolarHBondContact O-N 3.04Å; T281-Q284 WeakPolarHBondContact O-CB 3.43Å; T281-Q284 PolarHBondContact O-N 3.05Å; T281-Q285 WeakPolarHBondContact O-CG 3.28Å; T281-Q285 PolarHBondContact O-N 3.42Å |
| 282 | L | 80.1 | Confident | 79.5 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 176.9 | -67.2 | -173 | 0 | 0 | 0 | 111.8 | I35 F52 L173 I202 L278 Q279 Q285 L286 | I35-L282 HydrophobicContact CD1-CB 4.22Å; I35-L282 HydrophobicContact CD1-CD1 3.96Å; I35-L282 HydrophobicContact CD1-CD2 4.25Å; I35-L282 HydrophobicContact CD1-CG 4.37Å; F52-L282 HydrophobicContact CE1-CD1 3.59Å; F52-L282 HydrophobicContact CE1-CG 4.43Å; F52-L282 HydrophobicContact CE2-CD1 3.88Å; F52-L282 HydrophobicContact CZ-CD1 3.15Å; F52-L282 HydrophobicContact CZ-CG 4.01Å; L173-L282 HydrophobicContact CD1-CD2 4.26Å; I202-L282 HydrophobicContact CD1-CD2 3.34Å; L278-L282 HydrophobicContact CD1-CG 4.4Å; L278-L282 WeakPolarHBondContact O-CG 3.33Å; L278-L282 PolarHBondContact O-N 2.9Å; Q279-L282 PolarHBondContact O-N 2.92Å; L282-Q285 PolarHBondContact O-N 3.43Å; L282-L286 PolarHBondContact O-N 3.12Å |
| 283 | N | 72.8 | Confident | 78.5 | Confident | 13 Ų | 13 | 33.9 Ų | 33.9 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.9 | 177.3 | 40.6 | 0 | 0 | 0 | 113.1 | M7 Q279 S280 T281 Q285 L286 T287 | M7-N283 HydrophobicContact CE-CB 3.55Å; M7-N283 HydrophobicContact CG-CB 3.61Å; M7-N283 WeakPolarHBondContact CG-ND2 3.31Å; M7-N283 WeakPolarHBondContact CG-OD1 3.49Å; M7-N283 PolarHBondContact N-ND2 2.95Å; M7-N283 HydrophobicContact SD-CB 4.07Å; Q279-N283 WeakPolarHBondContact O-CB 3.42Å; Q279-N283 PolarHBondContact O-N 3.34Å; S280-N283 PolarHBondContact O-N 2.86Å; T281-N283 VanDerWaalsContact C-N 3.29Å; T281-N283 PolarHBondContact O-N 3.04Å; N283-Q285 PolarHBondContact O-N 3.46Å; N283-L286 WeakPolarHBondContact O-CB 3.48Å; N283-L286 PolarHBondContact O-N 3.33Å; N283-T287 WeakPolarHBondContact O-CB 3.39Å; N283-T287 PolarHBondContact O-N 3.46Å; N283-T287 PolarHBondContact O-OG1 3.05Å |
| 284 | Q | 75.8 | Confident | 77.6 | Confident | 70 Ų | 70 | 33.5 Ų | 33.5 | 33% | 0.327 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.1 | -37.5 | 176.1 | -175.7 | 174 | 32.9 | 0 | 0 | 111.5 | S280 T281 T287 N288 T743 | S280-Q284 WeakPolarHBondContact O-CB 3.48Å; S280-Q284 PolarHBondContact O-N 2.96Å; T281-Q284 WeakPolarHBondContact O-CB 3.43Å; T281-Q284 PolarHBondContact O-N 3.05Å; Q284-T287 PolarHBondContact O-N 3.44Å; Q284-N288 WeakPolarHBondContact O-CB 3.38Å; Q284-N288 PolarHBondContact O-N 3.45Å; Q284-N288 PolarHBondContact O-ND2 3.44Å; Q284-T743 VanDerWaalsContact CD-OG1 3.32Å; Q284-T743 PolarHBondContact NE2-OG1 2.97Å |
| 285 | Q | 76.3 | Confident | 77 | Confident | 22 Ų | 22 | 36.8 Ų | 36.8 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 173.8 | -59.4 | -43.1 | -24.9 | 0 | 0 | 113.2 | L171 I202 T281 L282 N283 T287 N288 H289 | L171-Q285 HydrophobicContact CD1-CB 3.84Å; I202-Q285 HydrophobicContact CD1-CG 4.24Å; T281-Q285 WeakPolarHBondContact O-CG 3.28Å; T281-Q285 PolarHBondContact O-N 3.42Å; L282-Q285 PolarHBondContact O-N 3.43Å; N283-Q285 PolarHBondContact O-N 3.46Å; Q285-T287 VanDerWaalsContact C-N 3.29Å; Q285-T287 PolarHBondContact O-N 2.81Å; Q285-N288 PolarHBondContact O-N 3.47Å; Q285-H289 PolarHBondContact O-N 3.12Å |
| 286 | L | 71.7 | Confident | 76.7 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.6 | -45 | 173 | 177.4 | 62.7 | 0 | 0 | 0 | 111.1 | L10 L32 P33 L131 L133 L282 N283 H289 I290 | L10-L286 HydrophobicContact CD2-CD2 4.15Å; L10-L286 HydrophobicContact CD2-CG 4.16Å; L32-L286 HydrophobicContact CD2-CD1 4.33Å; P33-L286 HydrophobicContact CG-CD1 3.47Å; P33-L286 VanDerWaalsContact CG-CD1 3.47Å; L131-L286 HydrophobicContact CD1-CD2 3.99Å; L133-L286 HydrophobicContact CD1-CD2 4.26Å; L282-L286 PolarHBondContact O-N 3.12Å; N283-L286 WeakPolarHBondContact O-CB 3.48Å; N283-L286 PolarHBondContact O-N 3.33Å; L286-H289 PolarHBondContact O-N 2.92Å; L286-I290 HydrophobicContact CD1-CD1 4.24Å; L286-I290 HydrophobicContact CD1-CG1 4.45Å; L286-I290 HydrophobicContact CG-CD1 4.26Å; L286-I290 WeakPolarHBondContact O-CG1 3.32Å; L286-I290 PolarHBondContact O-N 3.3Å |
| 287 | T | 70.6 | Confident | 76.4 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | -179.4 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | L10 N283 Q284 Q285 I290 R291 T740 | L10-T287 HydrophobicContact CD1-CG2 4Å; N283-T287 WeakPolarHBondContact O-CB 3.39Å; N283-T287 PolarHBondContact O-N 3.46Å; N283-T287 PolarHBondContact O-OG1 3.05Å; Q284-T287 PolarHBondContact O-N 3.44Å; Q285-T287 VanDerWaalsContact C-N 3.29Å; Q285-T287 PolarHBondContact O-N 2.81Å; T287-I290 PolarHBondContact O-N 3.17Å; T287-R291 WeakPolarHBondContact O-CB 3.35Å; T287-R291 PolarHBondContact O-N 3.37Å; T287-T740 HydrophobicContact CG2-CG2 4.36Å |
| 288 | N | 75.2 | Confident | 76.2 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.1 | -76.2 | -21.3 | 0 | 0 | 0 | 111.5 | Q284 Q285 I290 R291 D292 S742 T743 | Q284-N288 WeakPolarHBondContact O-CB 3.38Å; Q284-N288 PolarHBondContact O-N 3.45Å; Q284-N288 PolarHBondContact O-ND2 3.44Å; Q285-N288 PolarHBondContact O-N 3.47Å; N288-I290 PolarHBondContact O-N 3.27Å; N288-R291 PolarHBondContact O-N 2.87Å; N288-R291 VanDerWaalsContact O-N 3.14Å; N288-D292 VanDerWaalsContact O-CG 3.26Å; N288-D292 PolarHBondContact O-N 3.5Å; N288-S742 WeakPolarHBondContact OD1-CA 3.42Å; N288-S742 WeakPolarHBondContact OD1-CB 3.33Å; N288-S742 PolarHBondContact OD1-OG 3.26Å; N288-T743 PolarHBondContact ND2-O 2.97Å |
| 289 | H | 70.9 | Confident | 76.1 | Confident | 41 Ų | 41 | 43 Ų | 43 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 178.4 | -175.8 | 89.7 | 0 | 0 | 0 | 112.6 | D31 P33 Q285 L286 R291 D292 T293 | D31-H289 PolarHBondContact O-NE2 3.03Å; P33-H289 VanDerWaalsContact CD-CD2 3.44Å; P33-H289 WeakPolarHBondContact CD-CD2 3.44Å; P33-H289 HydrophobicContact CG-CB 3.97Å; Q285-H289 PolarHBondContact O-N 3.12Å; L286-H289 PolarHBondContact O-N 2.92Å; H289-R291 VanDerWaalsContact C-N 3.32Å; H289-R291 PolarHBondContact O-N 2.9Å; H289-D292 PolarHBondContact O-N 2.63Å; H289-T293 WeakPolarHBondContact O-CG2 3.3Å; H289-T293 PolarHBondContact O-N 2.93Å; H289-T293 VanDerWaalsContact O-N 3.14Å; H289-T293 PolarHBondContact O-OG1 3.49Å; H289-T293 VanDerWaalsContact O-OG1 3.09Å |
| 290 | I | 68.6 | Low | 76.1 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 174.8 | -66.7 | 178.6 | 0 | 0 | 0 | 109.8 | L10 V14 L32 L286 T287 N288 D292 T293 L294 | L10-I290 HydrophobicContact CD1-CD1 4.45Å; L10-I290 HydrophobicContact CD2-CD1 3.73Å; L10-I290 HydrophobicContact CG-CD1 4.2Å; V14-I290 HydrophobicContact CG2-CD1 3.64Å; L32-I290 HydrophobicContact CD2-CD1 3.74Å; L32-I290 HydrophobicContact CD2-CG1 3.8Å; L286-I290 HydrophobicContact CD1-CD1 4.24Å; L286-I290 HydrophobicContact CD1-CG1 4.45Å; L286-I290 HydrophobicContact CG-CD1 4.26Å; L286-I290 WeakPolarHBondContact O-CG1 3.32Å; L286-I290 PolarHBondContact O-N 3.3Å; T287-I290 PolarHBondContact O-N 3.17Å; N288-I290 PolarHBondContact O-N 3.27Å; I290-D292 VanDerWaalsContact C-N 3.31Å; I290-D292 PolarHBondContact O-N 3.24Å; I290-T293 PolarHBondContact O-N 2.86Å; I290-T293 PolarHBondContact O-OG1 3.48Å; I290-L294 HydrophobicContact CG2-CD1 4.08Å; I290-L294 HydrophobicContact CG2-CG 4.25Å; I290-L294 VanDerWaalsContact O-CG 3.26Å; I290-L294 WeakPolarHBondContact O-CG 3.34Å; I290-L294 PolarHBondContact O-N 3.32Å; I290-L294 VanDerWaalsContact O-N 3.09Å |
| 291 | R | 71.6 | Confident | 76.4 | Confident | 100 Ų | 100 | 45 Ų | 45 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -36.4 | 179.1 | -172.8 | -174.9 | 171.8 | 144.7 | -4.1 | 113.1 | T287 N288 H289 T293 P295 T740 S742 | T287-R291 WeakPolarHBondContact O-CB 3.35Å; T287-R291 PolarHBondContact O-N 3.37Å; N288-R291 PolarHBondContact O-N 2.87Å; N288-R291 VanDerWaalsContact O-N 3.14Å; H289-R291 VanDerWaalsContact C-N 3.32Å; H289-R291 PolarHBondContact O-N 2.9Å; R291-T293 VanDerWaalsContact C-N 3.33Å; R291-P295 WeakPolarHBondContact O-CD 3.45Å; R291-T740 PolarHBondContact NH1-O 2.99Å; R291-S742 VanDerWaalsContact NH1-N 3.14Å |
| 292 | D | 74.4 | Confident | 76.7 | Confident | 111 Ų | 111 | 47.6 Ų | 47.6 | 59% | 0.594 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -71.8 | -28.8 | 180 | -68 | -19.5 | 0 | 0 | 0 | 112.2 | N288 H289 I290 | N288-D292 VanDerWaalsContact O-CG 3.26Å; N288-D292 PolarHBondContact O-N 3.5Å; H289-D292 PolarHBondContact O-N 2.63Å; I290-D292 VanDerWaalsContact C-N 3.31Å; I290-D292 PolarHBondContact O-N 3.24Å |
| 293 | T | 70.9 | Confident | 77 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -83.9 | -29.4 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | H289 I290 R291 G296 L297 | H289-T293 WeakPolarHBondContact O-CG2 3.3Å; H289-T293 PolarHBondContact O-N 2.93Å; H289-T293 VanDerWaalsContact O-N 3.14Å; H289-T293 PolarHBondContact O-OG1 3.49Å; H289-T293 VanDerWaalsContact O-OG1 3.09Å; I290-T293 PolarHBondContact O-N 2.86Å; I290-T293 PolarHBondContact O-OG1 3.48Å; R291-T293 VanDerWaalsContact C-N 3.33Å; T293-G296 PolarHBondContact O-N 3.42Å; T293-L297 PolarHBondContact O-N 3.29Å |
| 294 | L | 75.1 | Confident | 77.6 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -41.4 | -177.4 | -77.4 | 173.2 | 0 | 0 | 0 | 115.3 | L17 I290 G296 L297 R298 I733 V736 | L17-L294 HydrophobicContact CD2-CD2 4.07Å; I290-L294 HydrophobicContact CG2-CD1 4.08Å; I290-L294 HydrophobicContact CG2-CG 4.25Å; I290-L294 VanDerWaalsContact O-CG 3.26Å; I290-L294 WeakPolarHBondContact O-CG 3.34Å; I290-L294 PolarHBondContact O-N 3.32Å; I290-L294 VanDerWaalsContact O-N 3.09Å; L294-G296 VanDerWaalsContact C-N 3.32Å; L294-G296 PolarHBondContact O-N 2.92Å; L294-L297 PolarHBondContact O-N 3.31Å; L294-R298 WeakPolarHBondContact O-CB 3.43Å; L294-R298 PolarHBondContact O-N 3.41Å; L294-I733 HydrophobicContact CB-CG2 4.48Å; L294-I733 HydrophobicContact CD2-CG1 4.18Å; L294-I733 HydrophobicContact CD2-CG2 4.22Å; L294-V736 HydrophobicContact CD1-CB 3.91Å; L294-V736 HydrophobicContact CD1-CG1 3.47Å; L294-V736 VanDerWaalsContact CD1-CG1 3.47Å |
| 295 | P | 79.4 | Confident | 78.1 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 177.6 | -27.5 | 34.3 | 0 | 0 | 0 | 113.4 | R291 R298 N299 | R291-P295 WeakPolarHBondContact O-CD 3.45Å; P295-R298 PolarHBondContact O-N 3.43Å; P295-N299 VanDerWaalsContact O-CG 3.27Å; P295-N299 PolarHBondContact O-N 3.28Å; P295-N299 PolarHBondContact O-ND2 3.38Å |
| 296 | G | 80.3 | Confident | 78.7 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 50% | 0.495 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T293 L294 N299 K300 | T293-G296 PolarHBondContact O-N 3.42Å; L294-G296 VanDerWaalsContact C-N 3.32Å; L294-G296 PolarHBondContact O-N 2.92Å; G296-N299 PolarHBondContact O-N 3.48Å; G296-K300 PolarHBondContact O-N 3.12Å; G296-K300 VanDerWaalsContact O-N 3.16Å |
| 297 | L | 77.2 | Confident | 79.4 | Confident | 33 Ų | 33 | 60.1 Ų | 60.1 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.7 | -173.2 | 64.6 | 0 | 0 | 0 | 112.1 | L17 F21 L28 T293 L294 N299 K300 L301 I733 | L17-L297 HydrophobicContact CD2-CD2 4.22Å; F21-L297 HydrophobicContact CE1-CD1 3.96Å; F21-L297 HydrophobicContact CE2-CD2 4.09Å; F21-L297 HydrophobicContact CZ-CD1 3.67Å; F21-L297 HydrophobicContact CZ-CD2 3.76Å; F21-L297 HydrophobicContact CZ-CG 3.86Å; L28-L297 HydrophobicContact CD1-CD1 4.07Å; L28-L297 HydrophobicContact CD1-CD2 3.67Å; T293-L297 PolarHBondContact O-N 3.29Å; L294-L297 PolarHBondContact O-N 3.31Å; L297-N299 PolarHBondContact O-N 3.35Å; L297-K300 PolarHBondContact O-N 3.05Å; L297-L301 PolarHBondContact O-N 3.17Å; L297-I733 HydrophobicContact CD2-CD1 4.03Å; L297-I733 HydrophobicContact CG-CD1 4.09Å |
| 298 | R | 83.5 | Confident | 80.1 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.9 | -50.8 | 176.1 | -179.5 | -176.9 | 166.6 | 145.2 | 1.1 | 111.5 | L294 P295 K300 L301 Q302 L730 I733 | L294-R298 WeakPolarHBondContact O-CB 3.43Å; L294-R298 PolarHBondContact O-N 3.41Å; P295-R298 PolarHBondContact O-N 3.43Å; R298-K300 VanDerWaalsContact C-N 3.3Å; R298-K300 PolarHBondContact O-N 3.39Å; R298-L301 PolarHBondContact O-N 3.33Å; R298-Q302 HydrophobicContact CG-CG 4.38Å; R298-Q302 WeakPolarHBondContact O-CG 3.38Å; R298-Q302 PolarHBondContact O-N 3.27Å; R298-L730 HydrophobicContact CG-CD2 4.03Å; R298-I733 HydrophobicContact CB-CG2 4.07Å; R298-I733 HydrophobicContact CG-CG2 4.48Å |
| 299 | N | 84.9 | Confident | 80.6 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | -178.4 | -71.7 | -18.2 | 0 | 0 | 0 | 111.2 | P295 G296 L297 Q302 S303 | P295-N299 VanDerWaalsContact O-CG 3.27Å; P295-N299 PolarHBondContact O-N 3.28Å; P295-N299 PolarHBondContact O-ND2 3.38Å; G296-N299 PolarHBondContact O-N 3.48Å; L297-N299 PolarHBondContact O-N 3.35Å; N299-Q302 PolarHBondContact O-N 3.06Å; N299-S303 PolarHBondContact O-N 3.34Å; N299-S303 PolarHBondContact O-OG 2.99Å |
| 300 | K | 80.8 | Confident | 81.1 | Confident | 132 Ų | 132 | 70 Ų | 70 | 57% | 0.574 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60 | -47.9 | 177.4 | -173.7 | 177.6 | 179.7 | -178.4 | 0 | 112.1 | G296 L297 R298 S303 Q304 | G296-K300 PolarHBondContact O-N 3.12Å; G296-K300 VanDerWaalsContact O-N 3.16Å; L297-K300 PolarHBondContact O-N 3.05Å; R298-K300 VanDerWaalsContact C-N 3.3Å; R298-K300 PolarHBondContact O-N 3.39Å; K300-S303 PolarHBondContact O-N 3.29Å; K300-Q304 PolarHBondContact O-N 2.94Å |
| 301 | L | 82.9 | Confident | 81.8 | Confident | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.037 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.9 | -73.5 | -178.9 | 0 | 0 | 0 | 112.1 | F21 L297 R298 S303 Q304 M305 M726 A729 L730 I733 | F21-L301 HydrophobicContact CE1-CD2 4.07Å; F21-L301 HydrophobicContact CE2-CD1 4.18Å; F21-L301 HydrophobicContact CZ-CD1 3.65Å; F21-L301 HydrophobicContact CZ-CD2 4.02Å; F21-L301 HydrophobicContact CZ-CG 4.08Å; L297-L301 PolarHBondContact O-N 3.17Å; R298-L301 PolarHBondContact O-N 3.33Å; L301-S303 PolarHBondContact O-N 3.12Å; L301-Q304 PolarHBondContact O-N 3.45Å; L301-M305 WeakPolarHBondContact O-CB 3.46Å; L301-M305 PolarHBondContact O-N 2.83Å; L301-M726 HydrophobicContact CD2-CG 4.38Å; L301-A729 HydrophobicContact CD1-CB 3.81Å; L301-L730 HydrophobicContact CB-CD2 3.78Å; L301-L730 HydrophobicContact CB-CG 4.09Å; L301-L730 HydrophobicContact CD1-CD2 4.21Å; L301-L730 HydrophobicContact CD1-CG 4.31Å; L301-I733 HydrophobicContact CD1-CD1 3.66Å |
| 302 | Q | 88.1 | Confident | 82.4 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 30% | 0.304 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 178.4 | -73.5 | -174.3 | -52.1 | 0 | 0 | 112.2 | R298 N299 Q304 M305 L306 L730 | R298-Q302 HydrophobicContact CG-CG 4.38Å; R298-Q302 WeakPolarHBondContact O-CG 3.38Å; R298-Q302 PolarHBondContact O-N 3.27Å; N299-Q302 PolarHBondContact O-N 3.06Å; Q302-Q304 PolarHBondContact O-N 3.33Å; Q302-M305 PolarHBondContact O-N 3.35Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 3.45Å; Q302-L730 HydrophobicContact CG-CD1 3.99Å; Q302-L730 HydrophobicContact CG-CD2 3.68Å |
| 303 | S | 87 | Confident | 82.7 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 56% | 0.559 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 177.8 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | N299 K300 L301 A307 | N299-S303 PolarHBondContact O-N 3.34Å; N299-S303 PolarHBondContact O-OG 2.99Å; K300-S303 PolarHBondContact O-N 3.29Å; L301-S303 PolarHBondContact O-N 3.12Å; S303-A307 PolarHBondContact O-N 3.03Å |
| 304 | Q | 83.7 | Confident | 83 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 176.5 | -72.8 | -175 | -30.3 | 0 | 0 | 111.8 | K300 L301 Q302 L306 A307 M308 M726 | K300-Q304 PolarHBondContact O-N 2.94Å; L301-Q304 PolarHBondContact O-N 3.45Å; Q302-Q304 PolarHBondContact O-N 3.33Å; Q304-L306 VanDerWaalsContact C-N 3.35Å; Q304-L306 PolarHBondContact O-N 3Å; Q304-A307 PolarHBondContact O-N 3.28Å; Q304-M308 WeakPolarHBondContact O-CG 3.45Å; Q304-M308 PolarHBondContact O-N 3.02Å; Q304-M726 HydrophobicContact CB-CE 3.88Å; Q304-M726 HydrophobicContact CB-SD 4.09Å |
| 305 | M | 86.2 | Confident | 83 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 15% | 0.148 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.8 | -169.9 | -178.1 | 70.8 | 0 | 0 | 111.9 | L301 Q302 A307 M308 E309 Y723 M726 L730 | L301-M305 WeakPolarHBondContact O-CB 3.46Å; L301-M305 PolarHBondContact O-N 2.83Å; Q302-M305 PolarHBondContact O-N 3.35Å; M305-A307 VanDerWaalsContact C-N 3.33Å; M305-A307 PolarHBondContact O-N 2.97Å; M305-M308 PolarHBondContact O-N 2.64Å; M305-E309 PolarHBondContact O-N 2.94Å; M305-Y723 HydrophobicContact CG-CD2 3.84Å; M305-Y723 HydrophobicContact CG-CE2 3.48Å; M305-Y723 VanDerWaalsContact CG-CE2 3.48Å; M305-Y723 HydrophobicContact SD-CE2 4.38Å; M305-M726 HydrophobicContact CB-SD 4.42Å; M305-L730 HydrophobicContact CE-CD1 3.78Å; M305-L730 HydrophobicContact SD-CD1 3.69Å |
| 306 | L | 89 | Confident | 82.6 | Confident | 111 Ų | 111 | 75.3 Ų | 75.3 | 58% | 0.581 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.2 | -36.1 | 176.7 | -76.3 | 169.8 | 0 | 0 | 0 | 113 | Q302 Q304 M308 | Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 3.45Å; Q304-L306 VanDerWaalsContact C-N 3.35Å; Q304-L306 PolarHBondContact O-N 3Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.36Å |
| 307 | A | 87 | Confident | 82 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.7 | -31.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S303 Q304 M305 | S303-A307 PolarHBondContact O-N 3.03Å; Q304-A307 PolarHBondContact O-N 3.28Å; M305-A307 VanDerWaalsContact C-N 3.33Å; M305-A307 PolarHBondContact O-N 2.97Å |
| 308 | M | 84.9 | Confident | 81.5 | Confident | 40 Ų | 40 | 79 Ų | 79 | 20% | 0.197 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -89.3 | -19.7 | -178.7 | -63.5 | 173.9 | 71.3 | 0 | 0 | 113.2 | Q304 M305 L306 K310 E311 V312 M719 V722 Y723 M726 | Q304-M308 WeakPolarHBondContact O-CG 3.45Å; Q304-M308 PolarHBondContact O-N 3.02Å; M305-M308 PolarHBondContact O-N 2.64Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.36Å; M308-K310 VanDerWaalsContact C-N 3.33Å; M308-K310 PolarHBondContact O-N 3.32Å; M308-E311 PolarHBondContact O-N 3.43Å; M308-V312 HydrophobicContact CB-CG2 4.42Å; M308-V312 WeakPolarHBondContact O-CG2 3.42Å; M308-V312 PolarHBondContact O-N 3.42Å; M308-M719 HydrophobicContact CB-CE 3.68Å; M308-M719 HydrophobicContact CE-CB 4.45Å; M308-M719 HydrophobicContact CE-CE 4.2Å; M308-M719 HydrophobicContact CE-CG 3.58Å; M308-M719 HydrophobicContact CG-CE 3.99Å; M308-M719 WeakPolarHBondContact O-CE 3.31Å; M308-V722 HydrophobicContact CE-CB 4.18Å; M308-V722 HydrophobicContact CE-CG1 3.92Å; M308-V722 HydrophobicContact SD-CG1 4.3Å; M308-Y723 HydrophobicContact CB-CD2 4.49Å; M308-M726 HydrophobicContact SD-CE 4.27Å; M308-M726 HydrophobicContact SD-SD 4.28Å |
| 309 | E | 87 | Confident | 80.7 | Confident | 77 Ų | 77 | 80.5 Ų | 80.5 | 36% | 0.36 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.3 | -41.9 | -168.5 | -171.7 | 162.8 | -133.1 | 0 | 0 | 113.3 | M305 V312 E313 Y723 | M305-E309 PolarHBondContact O-N 2.94Å; E309-V312 PolarHBondContact O-N 3.28Å; E309-E313 WeakPolarHBondContact O-CB 3.3Å; E309-E313 PolarHBondContact O-N 3.13Å; E309-Y723 HydrophobicContact CB-CE2 4.18Å; E309-Y723 HydrophobicContact CG-CE2 4.31Å; E309-Y723 PolarHBondContact OE1-OH 3.33Å |
| 310 | K | 81.6 | Confident | 79.7 | Confident | 156 Ų | 156 | 79.1 Ų | 79.1 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.5 | -48.6 | -179.9 | -173.5 | -174.4 | 173.1 | -167.2 | 0 | 112.2 | M308 E313 E314 | M308-K310 VanDerWaalsContact C-N 3.33Å; M308-K310 PolarHBondContact O-N 3.32Å; K310-E313 PolarHBondContact O-N 2.58Å; K310-E314 WeakPolarHBondContact O-CG 3.49Å; K310-E314 PolarHBondContact O-N 2.91Å |
| 311 | E | 82.4 | Confident | 79 | Confident | 90 Ų | 90 | 77.8 Ų | 77.8 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | -179.8 | -75.7 | 177.1 | -144.2 | 0 | 0 | 111.4 | M308 E313 E314 Y315 M719 | M308-E311 PolarHBondContact O-N 3.43Å; E311-E313 VanDerWaalsContact C-N 3.35Å; E311-E313 PolarHBondContact O-N 2.84Å; E311-E314 PolarHBondContact O-N 2.88Å; E311-Y315 VanDerWaalsContact O-CD2 3.23Å; E311-Y315 WeakPolarHBondContact O-CD2 3.47Å; E311-Y315 PolarHBondContact O-N 3.42Å; E311-M719 HydrophobicContact CB-CE 3.3Å; E311-M719 HydrophobicContact CB-SD 3.98Å; E311-M719 HydrophobicContact CG-CE 4.16Å; E311-M719 WeakPolarHBondContact OE2-CE 3.06Å |
| 312 | V | 84.2 | Confident | 78.5 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.006 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | M308 E309 E314 Y315 K316 M719 Y723 | M308-V312 HydrophobicContact CB-CG2 4.42Å; M308-V312 WeakPolarHBondContact O-CG2 3.42Å; M308-V312 PolarHBondContact O-N 3.42Å; E309-V312 PolarHBondContact O-N 3.28Å; V312-E314 VanDerWaalsContact C-N 3.32Å; V312-E314 PolarHBondContact O-N 3.34Å; V312-Y315 CarbonylContact O-C 3.17Å; V312-Y315 PolarHBondContact O-N 3.26Å; V312-K316 HydrophobicContact CG1-CD 3.95Å; V312-K316 HydrophobicContact CG1-CG 4.18Å; V312-K316 WeakPolarHBondContact O-CB 3.44Å; V312-K316 WeakPolarHBondContact O-CG 3.44Å; V312-K316 PolarHBondContact O-N 2.94Å; V312-M719 HydrophobicContact CG2-CE 4.03Å; V312-M719 HydrophobicContact CG2-CG 3.81Å; V312-Y723 HydrophobicContact CB-CD2 4.31Å; V312-Y723 HydrophobicContact CB-CG 4.36Å; V312-Y723 HydrophobicContact CG1-CD1 4Å; V312-Y723 HydrophobicContact CG1-CD2 4.33Å; V312-Y723 HydrophobicContact CG1-CE1 4.42Å; V312-Y723 HydrophobicContact CG1-CG 3.96Å; V312-Y723 HydrophobicContact CG2-CD2 4.02Å; V312-Y723 HydrophobicContact CG2-CG 4Å |
| 313 | E | 81 | Confident | 78 | Confident | 95 Ų | 95 | 81.1 Ų | 81.1 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 177.6 | -165 | 63.9 | -162 | 0 | 0 | 111.4 | E309 K310 E311 K316 H317 | E309-E313 WeakPolarHBondContact O-CB 3.3Å; E309-E313 PolarHBondContact O-N 3.13Å; K310-E313 PolarHBondContact O-N 2.58Å; E311-E313 VanDerWaalsContact C-N 3.35Å; E311-E313 PolarHBondContact O-N 2.84Å; E313-K316 PolarHBondContact O-N 3.46Å; E313-H317 PolarHBondContact O-N 3.49Å; E313-H317 PolarHBondContact O-ND1 2.81Å; E313-H317 IonicContact OE1-CE1 3.94Å; E313-H317 PolarHBondContact OE1-CE1 3.03Å; E313-H317 IonicContact OE1-ND1 3Å |
| 314 | E | 76.1 | Confident | 77.7 | Confident | 118 Ų | 118 | 80.9 Ų | 80.9 | 55% | 0.551 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 172.1 | -69.9 | 175.8 | -165.2 | 0 | 0 | 111.3 | K310 E311 V312 Y318 | K310-E314 WeakPolarHBondContact O-CG 3.49Å; K310-E314 PolarHBondContact O-N 2.91Å; E311-E314 PolarHBondContact O-N 2.88Å; V312-E314 VanDerWaalsContact C-N 3.32Å; V312-E314 PolarHBondContact O-N 3.34Å; E314-Y318 PolarHBondContact O-N 3.48Å |
| 315 | Y | 75.7 | Confident | 77.4 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 22% | 0.216 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.2 | -33.1 | 177.3 | -69.5 | -39.1 | 0 | 0 | 0 | 114.5 | E311 V312 H317 Y318 R716 M719 | E311-Y315 VanDerWaalsContact O-CD2 3.23Å; E311-Y315 WeakPolarHBondContact O-CD2 3.47Å; E311-Y315 PolarHBondContact O-N 3.42Å; V312-Y315 CarbonylContact O-C 3.17Å; V312-Y315 PolarHBondContact O-N 3.26Å; Y315-H317 VanDerWaalsContact C-N 3.27Å; Y315-H317 PolarHBondContact O-N 3.02Å; Y315-Y318 WeakPolarHBondContact O-CB 3.29Å; Y315-Y318 PolarHBondContact O-N 3.41Å; Y315-R716 HydrophobicContact CD1-CB 4.18Å; Y315-R716 VanDerWaalsContact CD1-CD 3.49Å; Y315-R716 HydrophobicContact CD1-CG 3.66Å; Y315-R716 HydrophobicContact CD2-CB 4.27Å; Y315-R716 HydrophobicContact CD2-CG 3.85Å; Y315-R716 HydrophobicContact CE1-CB 4.14Å; Y315-R716 HydrophobicContact CE1-CG 4.14Å; Y315-R716 HydrophobicContact CE2-CB 4.23Å; Y315-R716 HydrophobicContact CE2-CG 4.31Å; Y315-R716 HydrophobicContact CG-CB 4.26Å; Y315-R716 HydrophobicContact CG-CG 3.5Å; Y315-M719 HydrophobicContact CD2-SD 4.21Å; Y315-M719 HydrophobicContact CE2-SD 3.76Å |
| 316 | K | 71.3 | Confident | 77.2 | Confident | 92 Ų | 92 | 79.7 Ų | 79.7 | 40% | 0.4 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.7 | -30.5 | 177.7 | -80 | 178 | 175.2 | 174.9 | 0 | 112.6 | V312 E313 Y318 D724 | V312-K316 HydrophobicContact CG1-CD 3.95Å; V312-K316 HydrophobicContact CG1-CG 4.18Å; V312-K316 WeakPolarHBondContact O-CB 3.44Å; V312-K316 WeakPolarHBondContact O-CG 3.44Å; V312-K316 PolarHBondContact O-N 2.94Å; E313-K316 PolarHBondContact O-N 3.46Å; K316-Y318 VanDerWaalsContact C-N 3.28Å; K316-D724 IonicContact NZ-OD1 3.47Å |
| 317 | H | 67.4 | Low | 77.1 | Confident | 123 Ų | 123 | 77 Ų | 77 | 57% | 0.569 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -8.8 | 173.3 | -69.6 | 91.8 | 0 | 0 | 0 | 113.2 | E313 Y315 K319 | E313-H317 PolarHBondContact O-N 3.49Å; E313-H317 PolarHBondContact O-ND1 2.81Å; E313-H317 IonicContact OE1-CE1 3.94Å; E313-H317 PolarHBondContact OE1-CE1 3.03Å; E313-H317 IonicContact OE1-ND1 3Å; Y315-H317 VanDerWaalsContact C-N 3.27Å; Y315-H317 PolarHBondContact O-N 3.02Å; H317-K319 PolarHBondContact O-N 2.94Å; H317-K319 VanDerWaalsContact O-N 3.15Å |
| 318 | Y | 66.6 | Low | 77 | Confident | 37 Ų | 37 | 80 Ų | 80 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | trans | -70 | 109.7 | 179.9 | -164.7 | -82.9 | 0 | 0 | 0 | 110.2 | E314 Y315 K316 P320 F325 E708 | E314-Y318 PolarHBondContact O-N 3.48Å; Y315-Y318 WeakPolarHBondContact O-CB 3.29Å; Y315-Y318 PolarHBondContact O-N 3.41Å; K316-Y318 VanDerWaalsContact C-N 3.28Å; Y318-P320 HydrophobicContact CD1-CB 4.4Å; Y318-P320 HydrophobicContact CD1-CG 3.77Å; Y318-P320 HydrophobicContact CE1-CB 3.85Å; Y318-P320 HydrophobicContact CE1-CG 3.68Å; Y318-P320 WeakPolarHBondContact O-CD 3.43Å; Y318-F325 HydrophobicContact CD2-CD1 4.48Å; Y318-F325 AromaticContact CD2-CE1 3.48Å; Y318-F325 HydrophobicContact CD2-CE1 3.48Å; Y318-F325 VanDerWaalsContact CD2-CE1 3.48Å; Y318-F325 HydrophobicContact CD2-CE2 4.14Å; Y318-F325 AromaticContact CD2-CZ 3.26Å; Y318-F325 HydrophobicContact CD2-CZ 3.26Å; Y318-F325 HydrophobicContact CE2-CD1 4.15Å; Y318-F325 AromaticContact CE2-CE1 3.12Å; Y318-F325 HydrophobicContact CE2-CE1 3.12Å; Y318-F325 AromaticContact CE2-CZ 3.41Å; Y318-F325 HydrophobicContact CE2-CZ 3.41Å; Y318-F325 VanDerWaalsContact CE2-CZ 3.41Å; Y318-F325 HydrophobicContact CG-CE1 4.36Å; Y318-F325 HydrophobicContact CG-CZ 4.2Å; Y318-F325 AromaticContact CZ-CE1 3.73Å; Y318-E708 WeakPolarHBondContact CE1-OE1 3.32Å; Y318-E708 VanDerWaalsContact CE2-OE1 3.3Å; Y318-E708 WeakPolarHBondContact CE2-OE1 3.43Å; Y318-E708 WeakPolarHBondContact OH-CG 3.04Å; Y318-E708 PolarHBondContact OH-OE1 3.25Å | ||
| 319 | K | 68.1 | Low | 77 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | trans | -110.3 | 97.3 | 173.7 | -69.6 | -177.1 | -177.4 | 177.2 | 0 | 108.7 | H317 S321 D322 | H317-K319 PolarHBondContact O-N 2.94Å; H317-K319 VanDerWaalsContact O-N 3.15Å; K319-S321 PolarHBondContact O-N 2.98Å; K319-D322 HydrophobicContact CB-CB 4Å; K319-D322 PolarHBondContact O-N 3.25Å; K319-D322 VanDerWaalsContact O-N 3.09Å | ||
| 320 | P | 63 | Low | 77.1 | Confident | 67 Ų | 67 | 75.1 Ų | 75.1 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -20.5 | -175.5 | -13.4 | 21.8 | 0 | 0 | 0 | 113.6 | Y318 K326 | Y318-P320 HydrophobicContact CD1-CB 4.4Å; Y318-P320 HydrophobicContact CD1-CG 3.77Å; Y318-P320 HydrophobicContact CE1-CB 3.85Å; Y318-P320 HydrophobicContact CE1-CG 3.68Å; Y318-P320 WeakPolarHBondContact O-CD 3.43Å; P320-K326 WeakPolarHBondContact O-CE 3.35Å; P320-K326 PolarHBondContact O-NZ 3.04Å |
| 321 | S | 65.8 | Low | 77.5 | Confident | 104 Ų | 104 | 71 Ų | 71 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.2 | -178 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | K319 P323 | K319-S321 PolarHBondContact O-N 2.98Å; S321-P323 WeakPolarHBondContact O-CD 3.38Å |
| 322 | D | 72.7 | Confident | 77.9 | Confident | 59 Ų | 59 | 71.1 Ų | 71.1 | 32% | 0.316 | 37% | 0.367 | S | S | . | . | trans | -86.4 | 114.9 | -176.7 | -168.8 | -24.4 | 0 | 0 | 0 | 110.6 | K319 S324 F325 K326 | K319-D322 HydrophobicContact CB-CB 4Å; K319-D322 PolarHBondContact O-N 3.25Å; K319-D322 VanDerWaalsContact O-N 3.09Å; D322-S324 PolarHBondContact O-N 3.32Å; D322-S324 WeakPolarHBondContact OD1-CB 3.41Å; D322-S324 PolarHBondContact OD1-N 3.08Å; D322-S324 PolarHBondContact OD1-OG 3.23Å; D322-S324 PolarHBondContact OD2-OG 3.17Å; D322-F325 HydrophobicContact CB-CB 4.25Å; D322-F325 PolarHBondContact O-N 3.49Å; D322-K326 PolarHBondContact O-N 3.46Å | ||
| 323 | P | 77 | Confident | 78.2 | Confident | 82 Ų | 82 | 72.4 Ų | 72.4 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.5 | -32.3 | 178.6 | -23.2 | 34.7 | 0 | 0 | 0 | 113.1 | S321 F325 K326 T327 | S321-P323 WeakPolarHBondContact O-CD 3.38Å; P323-F325 VanDerWaalsContact C-N 3.29Å; P323-F325 PolarHBondContact O-N 2.97Å; P323-K326 PolarHBondContact O-N 3.19Å; P323-T327 PolarHBondContact O-N 3.35Å; P323-T327 PolarHBondContact O-OG1 3.42Å |
| 324 | S | 80.4 | Confident | 78.7 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.8 | -35.7 | -179.2 | 69.9 | 0 | 0 | 0 | 0 | 112.1 | D322 K328 | D322-S324 PolarHBondContact O-N 3.32Å; D322-S324 WeakPolarHBondContact OD1-CB 3.41Å; D322-S324 PolarHBondContact OD1-N 3.08Å; D322-S324 PolarHBondContact OD1-OG 3.23Å; D322-S324 PolarHBondContact OD2-OG 3.17Å; S324-K328 WeakPolarHBondContact O-CB 3.49Å; S324-K328 PolarHBondContact O-N 3.37Å; S324-K328 VanDerWaalsContact O-N 3.08Å |
| 325 | F | 77.6 | Confident | 79.5 | Confident | 62 Ų | 62 | 67 Ų | 67 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 175.2 | -174.8 | -84.4 | 0 | 0 | 0 | 110.9 | Y318 D322 P323 T327 K328 A329 | Y318-F325 HydrophobicContact CD2-CD1 4.48Å; Y318-F325 AromaticContact CD2-CE1 3.48Å; Y318-F325 HydrophobicContact CD2-CE1 3.48Å; Y318-F325 VanDerWaalsContact CD2-CE1 3.48Å; Y318-F325 HydrophobicContact CD2-CE2 4.14Å; Y318-F325 AromaticContact CD2-CZ 3.26Å; Y318-F325 HydrophobicContact CD2-CZ 3.26Å; Y318-F325 HydrophobicContact CE2-CD1 4.15Å; Y318-F325 AromaticContact CE2-CE1 3.12Å; Y318-F325 HydrophobicContact CE2-CE1 3.12Å; Y318-F325 AromaticContact CE2-CZ 3.41Å; Y318-F325 HydrophobicContact CE2-CZ 3.41Å; Y318-F325 VanDerWaalsContact CE2-CZ 3.41Å; Y318-F325 HydrophobicContact CG-CE1 4.36Å; Y318-F325 HydrophobicContact CG-CZ 4.2Å; Y318-F325 AromaticContact CZ-CE1 3.73Å; D322-F325 HydrophobicContact CB-CB 4.25Å; D322-F325 PolarHBondContact O-N 3.49Å; P323-F325 VanDerWaalsContact C-N 3.29Å; P323-F325 PolarHBondContact O-N 2.97Å; F325-T327 PolarHBondContact O-N 3.16Å; F325-K328 PolarHBondContact O-N 3.42Å; F325-A329 HydrophobicContact CE1-CB 4.22Å; F325-A329 WeakPolarHBondContact O-CB 3.36Å; F325-A329 PolarHBondContact O-N 3.46Å |
| 326 | K | 82.6 | Confident | 80.3 | Confident | 26 Ų | 26 | 67.3 Ų | 67.3 | 11% | 0.113 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 178 | -67.3 | -172.5 | -177.8 | -176.7 | 0 | 112.1 | P320 D322 P323 K328 A329 L330 L702 N703 M706 | P320-K326 WeakPolarHBondContact O-CE 3.35Å; P320-K326 PolarHBondContact O-NZ 3.04Å; D322-K326 PolarHBondContact O-N 3.46Å; P323-K326 PolarHBondContact O-N 3.19Å; K326-K328 PolarHBondContact O-N 2.87Å; K326-A329 PolarHBondContact O-N 3.38Å; K326-L330 WeakPolarHBondContact O-CB 3.3Å; K326-L330 PolarHBondContact O-N 2.86Å; K326-L702 HydrophobicContact CB-CD1 4.33Å; K326-L702 HydrophobicContact CB-CD2 3.98Å; K326-L702 HydrophobicContact CB-CG 3.98Å; K326-N703 PolarHBondContact NZ-OD1 3.34Å; K326-M706 HydrophobicContact CB-CB 4.28Å; K326-M706 HydrophobicContact CB-CG 4.17Å; K326-M706 HydrophobicContact CD-CB 4.16Å; K326-M706 HydrophobicContact CG-CB 4.18Å |
| 327 | T | 86.1 | Confident | 81.4 | Confident | 55 Ų | 55 | 63 Ų | 63 | 34% | 0.337 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 175.3 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | P323 F325 L331 Y697 | P323-T327 PolarHBondContact O-N 3.35Å; P323-T327 PolarHBondContact O-OG1 3.42Å; F325-T327 PolarHBondContact O-N 3.16Å; T327-L331 WeakPolarHBondContact O-CB 3.29Å; T327-L331 PolarHBondContact O-N 3.14Å; T327-Y697 WeakPolarHBondContact CG2-OH 3.42Å |
| 328 | K | 85.7 | Confident | 82.7 | Confident | 138 Ų | 138 | 59.2 Ų | 59.2 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 178.1 | -174 | 180 | 178.9 | -175.7 | 0 | 111.9 | S324 F325 K326 L331 L332 | S324-K328 WeakPolarHBondContact O-CB 3.49Å; S324-K328 PolarHBondContact O-N 3.37Å; S324-K328 VanDerWaalsContact O-N 3.08Å; F325-K328 PolarHBondContact O-N 3.42Å; K326-K328 PolarHBondContact O-N 2.87Å; K328-L331 PolarHBondContact O-N 2.92Å; K328-L332 HydrophobicContact CG-CD1 4.13Å; K328-L332 WeakPolarHBondContact O-CG 3.44Å; K328-L332 PolarHBondContact O-N 3.08Å |
| 329 | A | 84.7 | Confident | 83.8 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F325 K326 L332 T333 F450 M706 | F325-A329 HydrophobicContact CE1-CB 4.22Å; F325-A329 WeakPolarHBondContact O-CB 3.36Å; F325-A329 PolarHBondContact O-N 3.46Å; K326-A329 PolarHBondContact O-N 3.38Å; A329-L332 PolarHBondContact O-N 2.99Å; A329-T333 WeakPolarHBondContact O-CB 3.48Å; A329-T333 PolarHBondContact O-N 3.25Å; A329-T333 PolarHBondContact O-OG1 2.97Å; A329-F450 HydrophobicContact CB-CZ 4.49Å; A329-M706 HydrophobicContact CB-CE 3.49Å; A329-M706 VanDerWaalsContact CB-CE 3.49Å |
| 330 | L | 89.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57 | -52.4 | 172.7 | 177.1 | 62.3 | 0 | 0 | 0 | 110.8 | K326 L332 T333 V334 L453 L693 L696 Y697 L702 L705 M706 | K326-L330 WeakPolarHBondContact O-CB 3.3Å; K326-L330 PolarHBondContact O-N 2.86Å; L330-L332 PolarHBondContact O-N 3.34Å; L330-T333 PolarHBondContact O-N 3.45Å; L330-V334 HydrophobicContact CD1-CG2 4.06Å; L330-V334 WeakPolarHBondContact O-CG2 3.31Å; L330-V334 PolarHBondContact O-N 3.34Å; L330-L453 HydrophobicContact CD1-CD1 3.47Å; L330-L453 VanDerWaalsContact CD1-CD1 3.47Å; L330-L453 HydrophobicContact CD1-CD2 4Å; L330-L453 HydrophobicContact CD1-CG 4.4Å; L330-L693 HydrophobicContact CD2-CD1 4.13Å; L330-L693 HydrophobicContact CG-CD1 4Å; L330-L696 HydrophobicContact CD1-CD1 4.45Å; L330-Y697 HydrophobicContact CD2-CD1 4.41Å; L330-Y697 HydrophobicContact CD2-CE1 3.87Å; L330-Y697 HydrophobicContact CD2-CE2 4.21Å; L330-L702 HydrophobicContact CB-CD1 4.46Å; L330-L702 HydrophobicContact CD2-CD1 3.78Å; L330-L705 HydrophobicContact CD1-CD2 4Å; L330-M706 HydrophobicContact CB-CE 4.33Å; L330-M706 HydrophobicContact CB-SD 3.79Å; L330-M706 HydrophobicContact CD1-SD 4.02Å; L330-M706 HydrophobicContact CG-SD 4.48Å |
| 331 | L | 90 | Very high | 86.4 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57 | -49.1 | -179.8 | 179 | 65.7 | 0 | 0 | 0 | 112.1 | T327 K328 T333 V334 Q335 L693 | T327-L331 WeakPolarHBondContact O-CB 3.29Å; T327-L331 PolarHBondContact O-N 3.14Å; K328-L331 PolarHBondContact O-N 2.92Å; L331-T333 PolarHBondContact O-N 3Å; L331-V334 PolarHBondContact O-N 3.2Å; L331-Q335 HydrophobicContact CD1-CG 4.34Å; L331-Q335 WeakPolarHBondContact O-CB 3.34Å; L331-Q335 VanDerWaalsContact O-CG 3.29Å; L331-Q335 WeakPolarHBondContact O-CG 3.26Å; L331-Q335 PolarHBondContact O-N 2.9Å; L331-L693 HydrophobicContact CD1-CD2 3.75Å |
| 332 | L | 89.8 | Confident | 87.6 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 49% | 0.492 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | -179.3 | -70.5 | 174.2 | 0 | 0 | 0 | 112.2 | K328 A329 L330 Q335 S336 | K328-L332 HydrophobicContact CG-CD1 4.13Å; K328-L332 WeakPolarHBondContact O-CG 3.44Å; K328-L332 PolarHBondContact O-N 3.08Å; A329-L332 PolarHBondContact O-N 2.99Å; L330-L332 PolarHBondContact O-N 3.34Å; L332-Q335 PolarHBondContact O-N 3.46Å; L332-S336 WeakPolarHBondContact O-CB 3.5Å; L332-S336 PolarHBondContact O-N 3.43Å |
| 333 | T | 90.7 | Very high | 88.5 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 17% | 0.172 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 178.9 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | A329 L330 L331 S336 F337 M447 L453 | A329-T333 WeakPolarHBondContact O-CB 3.48Å; A329-T333 PolarHBondContact O-N 3.25Å; A329-T333 PolarHBondContact O-OG1 2.97Å; L330-T333 PolarHBondContact O-N 3.45Å; L331-T333 PolarHBondContact O-N 3Å; T333-S336 PolarHBondContact O-N 3.36Å; T333-F337 PolarHBondContact O-N 2.77Å; T333-M447 HydrophobicContact CG2-CB 4.29Å; T333-M447 HydrophobicContact CG2-CE 3.52Å; T333-M447 HydrophobicContact CG2-CG 3.88Å; T333-M447 HydrophobicContact CG2-SD 4.49Å; T333-L453 HydrophobicContact CG2-CD2 3.9Å |
| 334 | V | 92.7 | Very high | 89.1 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L330 L331 S336 F337 E338 L692 L693 L696 | L330-V334 HydrophobicContact CD1-CG2 4.06Å; L330-V334 WeakPolarHBondContact O-CG2 3.31Å; L330-V334 PolarHBondContact O-N 3.34Å; L331-V334 PolarHBondContact O-N 3.2Å; V334-S336 VanDerWaalsContact C-N 3.34Å; V334-S336 PolarHBondContact O-N 3.09Å; V334-F337 PolarHBondContact O-N 3.1Å; V334-E338 PolarHBondContact O-N 2.93Å; V334-L692 HydrophobicContact CG1-CD2 4Å; V334-L692 HydrophobicContact CG1-CG 4.35Å; V334-L693 HydrophobicContact CB-CD1 4.48Å; V334-L693 HydrophobicContact CG1-CB 4.38Å; V334-L693 HydrophobicContact CG2-CD1 4.17Å; V334-L696 HydrophobicContact CG2-CD1 3.53Å |
| 335 | Q | 92.4 | Very high | 89.6 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 175.4 | -75.7 | 177.2 | -20.3 | 0 | 0 | 112.6 | L331 L332 K339 | L331-Q335 HydrophobicContact CD1-CG 4.34Å; L331-Q335 WeakPolarHBondContact O-CB 3.34Å; L331-Q335 VanDerWaalsContact O-CG 3.29Å; L331-Q335 WeakPolarHBondContact O-CG 3.26Å; L331-Q335 PolarHBondContact O-N 2.9Å; L332-Q335 PolarHBondContact O-N 3.46Å; Q335-K339 WeakPolarHBondContact O-CB 3.37Å; Q335-K339 PolarHBondContact O-N 3.42Å |
| 336 | S | 91.9 | Very high | 90.2 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.2 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | L332 T333 V334 K339 D340 | L332-S336 WeakPolarHBondContact O-CB 3.5Å; L332-S336 PolarHBondContact O-N 3.43Å; T333-S336 PolarHBondContact O-N 3.36Å; V334-S336 VanDerWaalsContact C-N 3.34Å; V334-S336 PolarHBondContact O-N 3.09Å; S336-K339 PolarHBondContact O-N 2.93Å; S336-D340 WeakPolarHBondContact O-CB 3.43Å; S336-D340 VanDerWaalsContact O-CG 3.25Å; S336-D340 PolarHBondContact O-N 3.19Å |
| 337 | F | 94.3 | Very high | 90 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.3 | 170.7 | -109.8 | 0 | 0 | 0 | 112.4 | T333 V334 K339 D340 F341 V440 C443 T444 M447 T457 V461 L688 L692 | T333-F337 PolarHBondContact O-N 2.77Å; V334-F337 PolarHBondContact O-N 3.1Å; F337-K339 VanDerWaalsContact C-N 3.34Å; F337-K339 PolarHBondContact O-N 3.46Å; F337-D340 PolarHBondContact O-N 3.42Å; F337-F341 WeakPolarHBondContact O-CB 3.48Å; F337-F341 PolarHBondContact O-N 2.92Å; F337-V440 HydrophobicContact CZ-CG1 4.47Å; F337-C443 HydrophobicContact CD2-CB 3.7Å; F337-C443 HydrophobicContact CE2-CB 3.52Å; F337-T444 HydrophobicContact CD2-CG2 4.11Å; F337-T444 HydrophobicContact CE2-CG2 3.5Å; F337-T444 VanDerWaalsContact CE2-CG2 3.5Å; F337-T444 HydrophobicContact CZ-CG2 3.98Å; F337-M447 HydrophobicContact CB-SD 4.14Å; F337-M447 HydrophobicContact CD2-SD 4.26Å; F337-M447 HydrophobicContact CG-SD 4.23Å; F337-T457 HydrophobicContact CD1-CG2 3.99Å; F337-T457 HydrophobicContact CE1-CG2 3.75Å; F337-T457 HydrophobicContact CZ-CG2 4.12Å; F337-V461 HydrophobicContact CE1-CG2 4.2Å; F337-V461 HydrophobicContact CZ-CG2 4.36Å; F337-L688 HydrophobicContact CD1-CD2 4.41Å; F337-L688 HydrophobicContact CE1-CD1 4.43Å; F337-L688 HydrophobicContact CE1-CD2 3.59Å; F337-L688 HydrophobicContact CZ-CD2 4.34Å; F337-L692 HydrophobicContact CD1-CD2 3.74Å; F337-L692 HydrophobicContact CE1-CD2 3.75Å |
| 338 | E | 94 | Very high | 89.2 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.6 | -50.8 | 174.4 | -179.6 | -162.6 | 164.4 | 0 | 0 | 110.7 | V334 D340 F341 H342 L688 K689 | V334-E338 PolarHBondContact O-N 2.93Å; E338-D340 PolarHBondContact O-N 3.48Å; E338-F341 PolarHBondContact O-N 3.03Å; E338-H342 PolarHBondContact O-CD2 3.03Å; E338-H342 PolarHBondContact O-N 2.88Å; E338-L688 HydrophobicContact CG-CB 4.42Å; E338-K689 WeakPolarHBondContact OE1-CB 3.48Å; E338-K689 WeakPolarHBondContact OE1-CG 3.46Å |
| 339 | K | 91.6 | Very high | 88.2 | Confident | 127 Ų | 127 | 46 Ų | 46 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | -179.1 | -175.5 | -175.8 | 175.1 | -171.1 | 0 | 112 | Q335 S336 F337 F341 H342 H343 | Q335-K339 WeakPolarHBondContact O-CB 3.37Å; Q335-K339 PolarHBondContact O-N 3.42Å; S336-K339 PolarHBondContact O-N 2.93Å; F337-K339 VanDerWaalsContact C-N 3.34Å; F337-K339 PolarHBondContact O-N 3.46Å; K339-F341 VanDerWaalsContact C-N 3.35Å; K339-H342 PolarHBondContact O-N 3.44Å; K339-H343 VanDerWaalsContact CE-NE2 3.29Å; K339-H343 WeakPolarHBondContact CE-NE2 3.37Å; K339-H343 PolarHBondContact O-CD2 3.3Å; K339-H343 PolarHBondContact O-N 3.38Å |
| 340 | D | 90.9 | Very high | 87.1 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 178.7 | -73.9 | -11.1 | 0 | 0 | 0 | 111.5 | S336 F337 E338 H343 A344 R446 | S336-D340 WeakPolarHBondContact O-CB 3.43Å; S336-D340 VanDerWaalsContact O-CG 3.25Å; S336-D340 PolarHBondContact O-N 3.19Å; F337-D340 PolarHBondContact O-N 3.42Å; E338-D340 PolarHBondContact O-N 3.48Å; D340-H343 PolarHBondContact O-N 3.27Å; D340-A344 WeakPolarHBondContact O-CB 3.23Å; D340-A344 PolarHBondContact O-N 3.38Å; D340-R446 WeakPolarHBondContact OD2-CD 3.3Å; D340-R446 IonicContact OD2-CZ 2.81Å; D340-R446 IonicContact OD2-NE 2.76Å; D340-R446 PolarHBondContact OD2-NE 3.48Å; D340-R446 IonicContact OD2-NH2 3.87Å |
| 341 | F | 93.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.5 | -175.4 | -85.7 | 0 | 0 | 0 | 111.5 | F337 E338 K339 H343 A344 I345 L436 I439 V440 I684 K685 L688 | F337-F341 WeakPolarHBondContact O-CB 3.48Å; F337-F341 PolarHBondContact O-N 2.92Å; E338-F341 PolarHBondContact O-N 3.03Å; K339-F341 VanDerWaalsContact C-N 3.35Å; F341-H343 PolarHBondContact O-N 2.77Å; F341-A344 PolarHBondContact O-N 3.32Å; F341-I345 HydrophobicContact CD1-CG1 4.17Å; F341-I345 HydrophobicContact CE1-CD1 4.39Å; F341-I345 HydrophobicContact CE1-CG1 3.68Å; F341-I345 HydrophobicContact CZ-CD1 4.2Å; F341-I345 HydrophobicContact CZ-CG1 3.95Å; F341-I345 WeakPolarHBondContact O-CG1 3.46Å; F341-I345 PolarHBondContact O-N 3.44Å; F341-I345 VanDerWaalsContact O-N 3.13Å; F341-L436 HydrophobicContact CZ-CD2 4.24Å; F341-I439 HydrophobicContact CD2-CG2 3.76Å; F341-I439 HydrophobicContact CE2-CB 4.42Å; F341-I439 HydrophobicContact CE2-CG2 3.78Å; F341-V440 HydrophobicContact CD2-CG2 4.26Å; F341-V440 HydrophobicContact CE2-CG2 3.78Å; F341-I684 HydrophobicContact CE1-CG2 3.66Å; F341-I684 HydrophobicContact CE2-CD1 4.27Å; F341-I684 HydrophobicContact CZ-CD1 3.85Å; F341-I684 HydrophobicContact CZ-CG1 4.26Å; F341-I684 HydrophobicContact CZ-CG2 3.71Å; F341-K685 HydrophobicContact CE1-CG 4.32Å; F341-L688 HydrophobicContact CB-CD1 3.79Å; F341-L688 HydrophobicContact CD1-CD1 3.34Å; F341-L688 HydrophobicContact CD2-CD1 4.02Å; F341-L688 HydrophobicContact CE1-CD1 3.9Å; F341-L688 HydrophobicContact CE2-CD1 4.5Å; F341-L688 HydrophobicContact CG-CD1 3.41Å; F341-L688 VanDerWaalsContact CG-CD1 3.41Å; F341-L688 HydrophobicContact CZ-CD1 4.45Å |
| 342 | H | 91.9 | Very high | 84.7 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 174.8 | -93.3 | -87.9 | 0 | 0 | 0 | 112.2 | E338 K339 A344 I345 D346 | E338-H342 PolarHBondContact O-CD2 3.03Å; E338-H342 PolarHBondContact O-N 2.88Å; K339-H342 PolarHBondContact O-N 3.44Å; H342-A344 VanDerWaalsContact C-N 3.33Å; H342-A344 PolarHBondContact O-N 2.91Å; H342-I345 PolarHBondContact O-N 3.02Å; H342-D346 IonicContact ND1-OD2 2.74Å; H342-D346 WeakPolarHBondContact O-CB 3.48Å; H342-D346 PolarHBondContact O-N 3.36Å |
| 343 | H | 90.1 | Very high | 83.7 | Confident | 64 Ų | 64 | 62 Ų | 62 | 30% | 0.296 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 177.7 | -76.9 | -53 | 0 | 0 | 0 | 113.2 | K339 D340 F341 I345 G347 G348 | K339-H343 VanDerWaalsContact CE-NE2 3.29Å; K339-H343 WeakPolarHBondContact CE-NE2 3.37Å; K339-H343 PolarHBondContact O-CD2 3.3Å; K339-H343 PolarHBondContact O-N 3.38Å; D340-H343 PolarHBondContact O-N 3.27Å; F341-H343 PolarHBondContact O-N 2.77Å; H343-I345 VanDerWaalsContact C-N 3.33Å; H343-G347 WeakPolarHBondContact O-CA 3.31Å; H343-G347 PolarHBondContact O-N 2.95Å; H343-G347 VanDerWaalsContact O-N 3.08Å; H343-G348 PolarHBondContact CE1-O 3.47Å; H343-G348 VanDerWaalsContact ND1-C 3.32Å; H343-G348 PolarHBondContact ND1-O 3.25Å; H343-G348 VanDerWaalsContact ND1-O 3.09Å |
| 344 | A | 90.3 | Very high | 83.1 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.8 | -31.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D340 F341 H342 G360 I439 | D340-A344 WeakPolarHBondContact O-CB 3.23Å; D340-A344 PolarHBondContact O-N 3.38Å; F341-A344 PolarHBondContact O-N 3.32Å; H342-A344 VanDerWaalsContact C-N 3.33Å; H342-A344 PolarHBondContact O-N 2.91Å; A344-G360 PolarHBondContact O-N 3.33Å; A344-I439 HydrophobicContact CB-CG2 3.64Å |
| 345 | I | 91.7 | Very high | 82.1 | Confident | 17 Ų | 17 | 75.8 Ų | 75.8 | 9% | 0.087 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -85.6 | -49.9 | 178.8 | -63.9 | -72.3 | 0 | 0 | 0 | 112.3 | F341 H342 H343 G360 I363 L436 I439 V681 K685 | F341-I345 HydrophobicContact CD1-CG1 4.17Å; F341-I345 HydrophobicContact CE1-CD1 4.39Å; F341-I345 HydrophobicContact CE1-CG1 3.68Å; F341-I345 HydrophobicContact CZ-CD1 4.2Å; F341-I345 HydrophobicContact CZ-CG1 3.95Å; F341-I345 WeakPolarHBondContact O-CG1 3.46Å; F341-I345 PolarHBondContact O-N 3.44Å; F341-I345 VanDerWaalsContact O-N 3.13Å; H342-I345 PolarHBondContact O-N 3.02Å; H343-I345 VanDerWaalsContact C-N 3.33Å; I345-G360 WeakPolarHBondContact O-CA 3.44Å; I345-I363 HydrophobicContact CD1-CD1 3.95Å; I345-L436 HydrophobicContact CD1-CD2 3.77Å; I345-I439 HydrophobicContact CD1-CD1 3.43Å; I345-I439 VanDerWaalsContact CD1-CD1 3.43Å; I345-I439 HydrophobicContact CG1-CD1 4.42Å; I345-V681 HydrophobicContact CG2-CG1 3.69Å; I345-K685 VanDerWaalsContact CG2-CE 3.46Å |
| 346 | D | 89.2 | Confident | 81.4 | Confident | 104 Ų | 104 | 75.6 Ų | 75.6 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -84 | -16.9 | -171.7 | -68.7 | -36.7 | 0 | 0 | 0 | 112.9 | H342 K685 | H342-D346 IonicContact ND1-OD2 2.74Å; H342-D346 WeakPolarHBondContact O-CB 3.48Å; H342-D346 PolarHBondContact O-N 3.36Å; D346-K685 IonicContact OD1-NZ 2.56Å; D346-K685 PolarHBondContact OD1-NZ 2.87Å; D346-K685 IonicContact OD2-NZ 3.89Å; D346-K685 PolarHBondContact OD2-NZ 2.96Å |
| 347 | G | 79.1 | Confident | 80.7 | Confident | 53 Ų | 53 | 77.5 Ų | 77.5 | 55% | 0.546 | 44% | 0.44 | S | S | . | . | trans | 73.8 | 142.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H343 | H343-G347 WeakPolarHBondContact O-CA 3.31Å; H343-G347 PolarHBondContact O-N 2.95Å; H343-G347 VanDerWaalsContact O-N 3.08Å | ||
| 348 | G | 69.2 | Low | 80 | Confident | 52 Ų | 52 | 80.7 Ų | 80.7 | 54% | 0.536 | 46% | 0.463 | S | S | . | . | trans | 126.5 | 24.9 | 175 | 0 | 0 | 0 | 0 | 0 | 116.5 | H343 | H343-G348 PolarHBondContact CE1-O 3.47Å; H343-G348 VanDerWaalsContact ND1-C 3.32Å; H343-G348 PolarHBondContact ND1-O 3.25Å; H343-G348 VanDerWaalsContact ND1-O 3.09Å | ||
| 349 | G | 63.9 | Low | 79.6 | Confident | 24 Ų | 24 | 79 Ų | 79 | 25% | 0.247 | 46% | 0.457 | C | S | . | . | trans | -67.9 | 160.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E351 | G349-E351 PolarHBondContact O-N 2.91Š| ||
| 350 | S | 61.4 | Low | 79.5 | Confident | 130 Ų | 130 | 73.7 Ų | 73.7 | 91% | 0.909 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -66.2 | -22.3 | 175.5 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 351 | E | 62.8 | Low | 79.5 | Confident | 171 Ų | 171 | 74.6 Ų | 74.6 | 80% | 0.799 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -119.9 | 103.1 | 176.9 | -64.5 | -178.4 | 175.3 | 0 | 0 | 108.3 | G349 | G349-E351 PolarHBondContact O-N 2.91Š|
| 352 | I | 68 | Low | 79.3 | Confident | 131 Ų | 131 | 76.3 Ų | 76.3 | 67% | 0.672 | 46% | 0.459 | S | S | * | . | trans | -93 | 118.6 | 177.2 | -59 | 174.1 | 0 | 0 | 0 | 107.4 | T354 | I352-T354 PolarHBondContact O-N 3.19Š| ||
| 353 | D | 69 | Low | 79.4 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 43% | 0.433 | 45% | 0.449 | S | S | . | . | trans | -65.4 | 126.2 | 171.7 | -175.7 | 14.1 | 0 | 0 | 0 | 109.7 | K355 T356 | D353-K355 PolarHBondContact OD1-N 3.33Å; D353-T356 PolarHBondContact OD2-N 3.04Å; D353-T356 PolarHBondContact OD2-OG1 3.32Å | ||
| 354 | T | 76.3 | Confident | 79.6 | Confident | 134 Ų | 134 | 75.2 Ų | 75.2 | 82% | 0.822 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -99.8 | -5.2 | -178.4 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | I352 | I352-T354 PolarHBondContact O-N 3.19Š|
| 355 | K | 73.4 | Confident | 79.7 | Confident | 189 Ų | 189 | 77 Ų | 77 | 82% | 0.822 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -100.9 | -33.1 | -174.3 | -65.2 | -178.7 | -179.7 | 176.5 | 0 | 113.3 | D353 | D353-K355 PolarHBondContact OD1-N 3.33Š|
| 356 | T | 76.2 | Confident | 79.8 | Confident | 89 Ų | 89 | 77 Ų | 77 | 55% | 0.546 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -131 | 146.7 | -173.8 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | D353 | D353-T356 PolarHBondContact OD2-N 3.04Å; D353-T356 PolarHBondContact OD2-OG1 3.32Å |
| 357 | L | 77.9 | Confident | 80.1 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | trans | -73.7 | 130.6 | 166.9 | -74.2 | 164.6 | 0 | 0 | 0 | 107.9 | A361 L362 | L357-A361 HydrophobicContact CD2-CB 3.93Å; L357-L362 HydrophobicContact CB-CD2 3.71Å; L357-L362 HydrophobicContact CB-CG 4.23Å; L357-L362 WeakPolarHBondContact O-CD1 3.36Å | ||
| 358 | S | 80.7 | Confident | 80.7 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 48% | 0.483 | 44% | 0.436 | S | S | . | . | trans | -138.9 | 159 | -178.3 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | G360 A361 | S358-G360 PolarHBondContact O-N 2.76Å; S358-A361 WeakPolarHBondContact O-CB 3.46Å; S358-A361 PolarHBondContact O-N 3.47Å; S358-A361 VanDerWaalsContact O-N 3.12Å | ||
| 359 | G | 84 | Confident | 81.7 | Confident | 7 Ų | 7 | 78.9 Ų | 78.9 | 7% | 0.072 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | -123 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A361 L362 I363 | G359-A361 PolarHBondContact O-N 3Å; G359-A361 VanDerWaalsContact O-N 3.17Å; G359-L362 PolarHBondContact O-N 3.43Å; G359-I363 PolarHBondContact O-N 3.35Å |
| 360 | G | 90 | Very high | 82.9 | Confident | 16 Ų | 16 | 82.2 Ų | 82.2 | 17% | 0.165 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -56.7 | -30.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A344 I345 S358 L362 I363 N364 | A344-G360 PolarHBondContact O-N 3.33Å; I345-G360 WeakPolarHBondContact O-CA 3.44Å; S358-G360 PolarHBondContact O-N 2.76Å; G360-L362 VanDerWaalsContact C-N 3.34Å; G360-L362 PolarHBondContact O-N 2.92Å; G360-I363 PolarHBondContact O-N 2.94Å; G360-N364 WeakPolarHBondContact O-CB 3.4Å; G360-N364 PolarHBondContact O-N 3.24Å |
| 361 | A | 90 | Very high | 84.4 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.9 | -34 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L357 S358 G359 N364 R365 | L357-A361 HydrophobicContact CD2-CB 3.93Å; S358-A361 WeakPolarHBondContact O-CB 3.46Å; S358-A361 PolarHBondContact O-N 3.47Å; S358-A361 VanDerWaalsContact O-N 3.12Å; G359-A361 PolarHBondContact O-N 3Å; G359-A361 VanDerWaalsContact O-N 3.17Å; A361-N364 WeakPolarHBondContact O-CB 3.43Å; A361-N364 PolarHBondContact O-N 3.33Å; A361-R365 PolarHBondContact O-N 2.95Å |
| 362 | L | 91.3 | Very high | 85.8 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 19% | 0.194 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.2 | -39.1 | 174.9 | -68.9 | 175.4 | 0 | 0 | 0 | 111.5 | L357 G359 G360 N364 R365 I366 Q435 | L357-L362 HydrophobicContact CB-CD2 3.71Å; L357-L362 HydrophobicContact CB-CG 4.23Å; L357-L362 WeakPolarHBondContact O-CD1 3.36Å; G359-L362 PolarHBondContact O-N 3.43Å; G360-L362 VanDerWaalsContact C-N 3.34Å; G360-L362 PolarHBondContact O-N 2.92Å; L362-N364 VanDerWaalsContact C-N 3.28Å; L362-N364 PolarHBondContact O-N 3.02Å; L362-R365 WeakPolarHBondContact O-CB 3.27Å; L362-R365 PolarHBondContact O-N 2.71Å; L362-I366 WeakPolarHBondContact O-CG1 3.35Å; L362-I366 PolarHBondContact O-N 3.09Å; L362-Q435 HydrophobicContact CB-CG 4.13Å; L362-Q435 VanDerWaalsContact CD1-NE2 3.28Å |
| 363 | I | 93.8 | Very high | 86.8 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 172 | -64.3 | 175.6 | 0 | 0 | 0 | 110.2 | I345 G359 G360 R365 I366 F367 V432 Q435 L436 I439 | I345-I363 HydrophobicContact CD1-CD1 3.95Å; G359-I363 PolarHBondContact O-N 3.35Å; G360-I363 PolarHBondContact O-N 2.94Å; I363-R365 VanDerWaalsContact C-N 3.34Å; I363-R365 PolarHBondContact O-N 3.49Å; I363-I366 WeakPolarHBondContact O-CB 3.46Å; I363-I366 PolarHBondContact O-N 3.24Å; I363-I366 VanDerWaalsContact O-N 3.16Å; I363-F367 HydrophobicContact CG2-CD2 3.98Å; I363-F367 HydrophobicContact CG2-CE2 3.4Å; I363-F367 VanDerWaalsContact CG2-CE2 3.4Å; I363-F367 HydrophobicContact CG2-CZ 3.79Å; I363-F367 PolarHBondContact O-N 3.03Å; I363-F367 VanDerWaalsContact O-N 3.09Å; I363-V432 HydrophobicContact CG2-CG2 4.49Å; I363-Q435 HydrophobicContact CG1-CB 4.06Å; I363-L436 HydrophobicContact CD1-CD2 4.07Å; I363-L436 HydrophobicContact CD1-CG 4.44Å; I363-I439 HydrophobicContact CD1-CD1 4.36Å |
| 364 | N | 93.1 | Very high | 87.7 | Confident | 87 Ų | 87 | 62.8 Ų | 62.8 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.7 | -166 | 7.7 | 0 | 0 | 0 | 112 | G360 A361 L362 I366 F367 H368 | G360-N364 WeakPolarHBondContact O-CB 3.4Å; G360-N364 PolarHBondContact O-N 3.24Å; A361-N364 WeakPolarHBondContact O-CB 3.43Å; A361-N364 PolarHBondContact O-N 3.33Å; L362-N364 VanDerWaalsContact C-N 3.28Å; L362-N364 PolarHBondContact O-N 3.02Å; N364-I366 PolarHBondContact O-N 3.46Å; N364-F367 PolarHBondContact O-N 3.06Å; N364-H368 PolarHBondContact O-N 3.46Å; N364-H368 PolarHBondContact OD1-CD2 3.26Å |
| 365 | R | 92.2 | Very high | 88.4 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.5 | -168.2 | -179.7 | -177.2 | 177.3 | -1.2 | 112.5 | A361 L362 I363 F367 E369 R370 E607 | A361-R365 PolarHBondContact O-N 2.95Å; L362-R365 WeakPolarHBondContact O-CB 3.27Å; L362-R365 PolarHBondContact O-N 2.71Å; I363-R365 VanDerWaalsContact C-N 3.34Å; I363-R365 PolarHBondContact O-N 3.49Å; R365-F367 VanDerWaalsContact C-N 3.33Å; R365-F367 PolarHBondContact O-N 2.92Å; R365-E369 HydrophobicContact CG-CB 4.17Å; R365-E369 HydrophobicContact CG-CG 4.16Å; R365-E369 WeakPolarHBondContact CG-OE2 3.32Å; R365-E369 IonicContact CZ-OE2 2.67Å; R365-E369 IonicContact NE-OE2 2.78Å; R365-E369 PolarHBondContact NE-OE2 3.38Å; R365-E369 IonicContact NH2-OE2 3.62Å; R365-E369 WeakPolarHBondContact O-CA 3.26Å; R365-E369 WeakPolarHBondContact O-CB 3.5Å; R365-E369 PolarHBondContact O-N 3.21Å; R365-R370 PolarHBondContact O-N 2.98Å; R365-R370 VanDerWaalsContact O-N 3.15Å; R365-E607 IonicContact CZ-OE2 2.64Å; R365-E607 IonicContact NH1-OE2 3.82Å; R365-E607 PolarHBondContact NH1-OE2 2.95Å; R365-E607 IonicContact NH2-OE2 3.83Å; R365-E607 PolarHBondContact NH2-OE2 3.45Å |
| 366 | I | 94.3 | Very high | 88.8 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -59.6 | -46.8 | 176.3 | -69.4 | 160.5 | 0 | 0 | 0 | 110.1 | L362 I363 N364 R370 L371 L431 V432 Q435 | L362-I366 WeakPolarHBondContact O-CG1 3.35Å; L362-I366 PolarHBondContact O-N 3.09Å; I363-I366 WeakPolarHBondContact O-CB 3.46Å; I363-I366 PolarHBondContact O-N 3.24Å; I363-I366 VanDerWaalsContact O-N 3.16Å; N364-I366 PolarHBondContact O-N 3.46Å; I366-R370 PolarHBondContact O-N 3.49Å; I366-L371 WeakPolarHBondContact O-CB 3.28Å; I366-L371 PolarHBondContact O-N 3.47Å; I366-L431 HydrophobicContact CD1-CB 3.81Å; I366-L431 HydrophobicContact CG1-CB 4.17Å; I366-L431 HydrophobicContact CG2-CB 4.03Å; I366-L431 HydrophobicContact CG2-CD1 4.39Å; I366-V432 HydrophobicContact CG2-CG2 4.04Å; I366-Q435 HydrophobicContact CD1-CG 3.99Å |
| 367 | F | 95.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -69.5 | -41.5 | -178.6 | -65 | -31.5 | 0 | 0 | 0 | 114.2 | I363 N364 R365 P372 V432 P673 L676 M677 | I363-F367 HydrophobicContact CG2-CD2 3.98Å; I363-F367 HydrophobicContact CG2-CE2 3.4Å; I363-F367 VanDerWaalsContact CG2-CE2 3.4Å; I363-F367 HydrophobicContact CG2-CZ 3.79Å; I363-F367 PolarHBondContact O-N 3.03Å; I363-F367 VanDerWaalsContact O-N 3.09Å; N364-F367 PolarHBondContact O-N 3.06Å; R365-F367 VanDerWaalsContact C-N 3.33Å; R365-F367 PolarHBondContact O-N 2.92Å; F367-P372 VanDerWaalsContact O-CD 3.32Å; F367-P372 WeakPolarHBondContact O-CD 3.22Å; F367-V432 HydrophobicContact CD1-CG2 4.4Å; F367-V432 HydrophobicContact CE1-CG2 3.54Å; F367-V432 HydrophobicContact CZ-CG2 3.84Å; F367-P673 HydrophobicContact CB-CB 4.1Å; F367-P673 HydrophobicContact CB-CG 4.04Å; F367-P673 HydrophobicContact CD1-CB 3.78Å; F367-P673 HydrophobicContact CD1-CG 3.92Å; F367-P673 HydrophobicContact CD2-CB 4Å; F367-P673 HydrophobicContact CE1-CB 4.13Å; F367-P673 HydrophobicContact CE2-CB 4.33Å; F367-P673 HydrophobicContact CG-CB 3.71Å; F367-P673 HydrophobicContact CG-CG 4.03Å; F367-P673 HydrophobicContact CZ-CB 4.4Å; F367-L676 HydrophobicContact CE1-CB 4.17Å; F367-L676 HydrophobicContact CE1-CD1 3.83Å; F367-L676 HydrophobicContact CZ-CB 4.03Å; F367-M677 HydrophobicContact CE2-CG 3.9Å; F367-M677 HydrophobicContact CE2-SD 4.02Å; F367-M677 HydrophobicContact CZ-CG 4.37Å |
| 368 | H | 90.8 | Very high | 89 | Confident | 136 Ų | 136 | 46.6 Ų | 46.6 | 63% | 0.63 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -102.7 | -15.4 | -170.3 | -67.7 | -39.2 | 0 | 0 | 0 | 115.5 | N364 | N364-H368 PolarHBondContact O-N 3.46Å; N364-H368 PolarHBondContact OD1-CD2 3.26Å |
| 369 | E | 91.2 | Very high | 88.3 | Confident | 101 Ų | 101 | 46.6 Ų | 46.6 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -115 | -52.9 | 176.2 | -60.6 | -178.4 | -169.8 | 0 | 0 | 111.3 | R365 Y373 | R365-E369 HydrophobicContact CG-CB 4.17Å; R365-E369 HydrophobicContact CG-CG 4.16Å; R365-E369 WeakPolarHBondContact CG-OE2 3.32Å; R365-E369 IonicContact CZ-OE2 2.67Å; R365-E369 IonicContact NE-OE2 2.78Å; R365-E369 PolarHBondContact NE-OE2 3.38Å; R365-E369 IonicContact NH2-OE2 3.62Å; R365-E369 WeakPolarHBondContact O-CA 3.26Å; R365-E369 WeakPolarHBondContact O-CB 3.5Å; R365-E369 PolarHBondContact O-N 3.21Å; E369-Y373 VanDerWaalsContact O-CB 3.28Å; E369-Y373 WeakPolarHBondContact O-CB 3.39Å; E369-Y373 PolarHBondContact O-N 3.42Å |
| 370 | R | 89.4 | Confident | 87.3 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 35% | 0.351 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -73.8 | -48.4 | -170.4 | -173.6 | 55.8 | 173.5 | -162.2 | -7.7 | 112.9 | R365 I366 Y373 E374 L431 | R365-R370 PolarHBondContact O-N 2.98Å; R365-R370 VanDerWaalsContact O-N 3.15Å; I366-R370 PolarHBondContact O-N 3.49Å; R370-Y373 WeakPolarHBondContact O-CB 3.5Å; R370-Y373 PolarHBondContact O-N 2.94Å; R370-E374 HydrophobicContact CG-CG 4.39Å; R370-E374 IonicContact CZ-OE1 3.6Å; R370-E374 IonicContact NE-OE1 2.83Å; R370-E374 PolarHBondContact NE-OE1 2.93Å; R370-E374 IonicContact NH1-OE1 3.62Å; R370-E374 IonicContact NH2-OE1 3.18Å; R370-E374 PolarHBondContact NH2-OE1 3.29Å; R370-E374 WeakPolarHBondContact O-CG 3.3Å; R370-E374 PolarHBondContact O-N 3.41Å; R370-L431 HydrophobicContact CG-CD1 3.82Å |
| 371 | L | 93.5 | Very high | 86.4 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | -179.9 | 170.7 | 66.7 | 0 | 0 | 0 | 112 | I366 Y373 E374 M375 C428 L669 V672 P673 | I366-L371 WeakPolarHBondContact O-CB 3.28Å; I366-L371 PolarHBondContact O-N 3.47Å; L371-Y373 VanDerWaalsContact C-N 3.3Å; L371-Y373 PolarHBondContact O-N 2.96Å; L371-E374 PolarHBondContact O-N 3.45Å; L371-M375 HydrophobicContact CD1-CE 3.73Å; L371-M375 HydrophobicContact CD1-CG 4.12Å; L371-M375 WeakPolarHBondContact O-CG 3.43Å; L371-M375 PolarHBondContact O-N 3.25Å; L371-C428 HydrophobicContact CB-CB 4.47Å; L371-C428 HydrophobicContact CD1-CB 3.99Å; L371-L669 HydrophobicContact CD2-CD2 4.03Å; L371-L669 HydrophobicContact CG-CD2 3.69Å; L371-V672 HydrophobicContact CD2-CB 4.23Å; L371-V672 HydrophobicContact CD2-CG1 4.17Å; L371-P673 HydrophobicContact CD2-CG 4.03Å |
| 372 | P | 92.1 | Very high | 86 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.5 | -41.3 | 173.2 | -27.5 | 35.2 | 0 | 0 | 0 | 113.6 | F367 M375 N376 L669 | F367-P372 VanDerWaalsContact O-CD 3.32Å; F367-P372 WeakPolarHBondContact O-CD 3.22Å; P372-M375 PolarHBondContact O-N 3.29Å; P372-N376 WeakPolarHBondContact O-CB 3.49Å; P372-N376 VanDerWaalsContact O-CG 3.26Å; P372-N376 PolarHBondContact O-N 3.35Å; P372-L669 HydrophobicContact CB-CD1 4.25Å; P372-L669 HydrophobicContact CB-CD2 4.25Å; P372-L669 HydrophobicContact CG-CD1 4.31Å; P372-L669 HydrophobicContact CG-CD2 3.94Å |
| 373 | Y | 88.4 | Confident | 85.6 | Confident | 49 Ų | 49 | 56 Ų | 56 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177 | 171.2 | -101.4 | 0 | 0 | 0 | 112.5 | E369 R370 L371 K377 L617 | E369-Y373 VanDerWaalsContact O-CB 3.28Å; E369-Y373 WeakPolarHBondContact O-CB 3.39Å; E369-Y373 PolarHBondContact O-N 3.42Å; R370-Y373 WeakPolarHBondContact O-CB 3.5Å; R370-Y373 PolarHBondContact O-N 2.94Å; L371-Y373 VanDerWaalsContact C-N 3.3Å; L371-Y373 PolarHBondContact O-N 2.96Å; Y373-K377 HydrophobicContact CE1-CD 4.28Å; Y373-K377 PolarHBondContact O-N 3.23Å; Y373-K377 WeakPolarHBondContact OH-CE 3.44Å; Y373-K377 PolarHBondContact OH-NZ 3.35Å; Y373-K377 VanDerWaalsContact OH-NZ 3.09Å; Y373-L617 HydrophobicContact CD2-CD1 4.32Å; Y373-L617 HydrophobicContact CE2-CD1 4.37Å |
| 374 | E | 88.4 | Confident | 85.3 | Confident | 22 Ų | 22 | 60 Ų | 60 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.1 | -30.7 | 177.6 | -63.4 | -75.8 | -168.9 | 0 | 0 | 112.3 | R370 L371 K377 P424 K427 | R370-E374 HydrophobicContact CG-CG 4.39Å; R370-E374 IonicContact CZ-OE1 3.6Å; R370-E374 IonicContact NE-OE1 2.83Å; R370-E374 PolarHBondContact NE-OE1 2.93Å; R370-E374 IonicContact NH1-OE1 3.62Å; R370-E374 IonicContact NH2-OE1 3.18Å; R370-E374 PolarHBondContact NH2-OE1 3.29Å; R370-E374 WeakPolarHBondContact O-CG 3.3Å; R370-E374 PolarHBondContact O-N 3.41Å; L371-E374 PolarHBondContact O-N 3.45Å; E374-K377 IonicContact OE2-NZ 3.85Å; E374-P424 HydrophobicContact CB-CB 3.69Å; E374-K427 WeakPolarHBondContact OE1-CE 3.2Å; E374-K427 IonicContact OE1-NZ 3.21Å; E374-K427 PolarHBondContact OE1-NZ 2.64Å; E374-K427 IonicContact OE2-NZ 3.58Å |
| 375 | M | 89.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -44.1 | 173 | -76 | -63.1 | 158.7 | 0 | 0 | 112.3 | L371 P372 K377 I378 M421 P424 S425 I665 Q668 L669 | L371-M375 HydrophobicContact CD1-CE 3.73Å; L371-M375 HydrophobicContact CD1-CG 4.12Å; L371-M375 WeakPolarHBondContact O-CG 3.43Å; L371-M375 PolarHBondContact O-N 3.25Å; P372-M375 PolarHBondContact O-N 3.29Å; M375-K377 PolarHBondContact O-N 3.13Å; M375-I378 VanDerWaalsContact O-CB 3.23Å; M375-I378 WeakPolarHBondContact O-CB 3.39Å; M375-I378 VanDerWaalsContact O-CG1 3.24Å; M375-I378 WeakPolarHBondContact O-CG1 3.43Å; M375-I378 PolarHBondContact O-N 3.44Å; M375-I378 HydrophobicContact SD-CD1 3.63Å; M375-M421 HydrophobicContact CE-CB 4.37Å; M375-M421 HydrophobicContact SD-CB 4.16Å; M375-M421 HydrophobicContact SD-CE 4.01Å; M375-M421 HydrophobicContact SD-CG 4.19Å; M375-P424 HydrophobicContact CE-CB 3.69Å; M375-P424 HydrophobicContact CE-CG 3.46Å; M375-P424 VanDerWaalsContact CE-CG 3.46Å; M375-P424 HydrophobicContact SD-CB 4.29Å; M375-P424 HydrophobicContact SD-CG 3.75Å; M375-S425 WeakPolarHBondContact CE-OG 3.37Å; M375-I665 HydrophobicContact CB-CG2 4.32Å; M375-Q668 HydrophobicContact CE-CG 4.18Å; M375-L669 HydrophobicContact CB-CD2 4.27Å; M375-L669 HydrophobicContact CG-CD2 3.81Å |
| 376 | N | 83.5 | Confident | 85 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66 | -22.1 | 179.3 | -69.4 | -9.1 | 0 | 0 | 0 | 112.6 | P372 I378 E379 | P372-N376 WeakPolarHBondContact O-CB 3.49Å; P372-N376 VanDerWaalsContact O-CG 3.26Å; P372-N376 PolarHBondContact O-N 3.35Å; N376-I378 PolarHBondContact O-N 3.08Å; N376-E379 WeakPolarHBondContact O-CB 3.29Å; N376-E379 PolarHBondContact O-N 3.08Å |
| 377 | K | 80.8 | Confident | 84.8 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -15.3 | 171.8 | -76.9 | -178.6 | 177.7 | 178.1 | 0 | 114.1 | Y373 E374 M375 E379 | Y373-K377 HydrophobicContact CE1-CD 4.28Å; Y373-K377 PolarHBondContact O-N 3.23Å; Y373-K377 WeakPolarHBondContact OH-CE 3.44Å; Y373-K377 PolarHBondContact OH-NZ 3.35Å; Y373-K377 VanDerWaalsContact OH-NZ 3.09Å; E374-K377 IonicContact OE2-NZ 3.85Å; M375-K377 PolarHBondContact O-N 3.13Å; K377-E379 PolarHBondContact O-N 3.27Å |
| 378 | I | 76.8 | Confident | 84.6 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -25 | 175.5 | -56.4 | 172.5 | 0 | 0 | 0 | 110.5 | M375 N376 T380 K420 M421 P424 | M375-I378 VanDerWaalsContact O-CB 3.23Å; M375-I378 WeakPolarHBondContact O-CB 3.39Å; M375-I378 VanDerWaalsContact O-CG1 3.24Å; M375-I378 WeakPolarHBondContact O-CG1 3.43Å; M375-I378 PolarHBondContact O-N 3.44Å; M375-I378 HydrophobicContact SD-CD1 3.63Å; N376-I378 PolarHBondContact O-N 3.08Å; I378-T380 PolarHBondContact O-N 3.18Å; I378-T380 PolarHBondContact O-OG1 3.05Å; I378-K420 HydrophobicContact CG2-CB 3.84Å; I378-K420 HydrophobicContact CG2-CD 4.08Å; I378-M421 HydrophobicContact CD1-CB 4.11Å; I378-M421 HydrophobicContact CD1-CG 3.58Å; I378-P424 HydrophobicContact CD1-CG 3.66Å; I378-P424 HydrophobicContact CG1-CG 4.15Å |
| 379 | E | 65.3 | Low | 84.6 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | trans | -53.5 | 113.8 | 178 | -70.2 | -174.3 | -165.4 | 0 | 0 | 109.8 | N376 K377 Y622 | N376-E379 WeakPolarHBondContact O-CB 3.29Å; N376-E379 PolarHBondContact O-N 3.08Å; K377-E379 PolarHBondContact O-N 3.27Å; E379-Y622 WeakPolarHBondContact OE2-CE1 3.48Å; E379-Y622 PolarHBondContact OE2-OH 2.89Å | ||
| 380 | T | 63.8 | Low | 84.5 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | trans | -75.8 | 165.7 | -165.1 | -58.4 | 0 | 0 | 0 | 0 | 110 | I378 E382 E384 L385 Q417 K420 | I378-T380 PolarHBondContact O-N 3.18Å; I378-T380 PolarHBondContact O-OG1 3.05Å; T380-E382 PolarHBondContact O-N 3.49Å; T380-E382 VanDerWaalsContact O-N 3.08Å; T380-E384 HydrophobicContact CG2-CB 4.32Å; T380-E384 HydrophobicContact CG2-CG 4.44Å; T380-L385 HydrophobicContact CG2-CB 4.29Å; T380-Q417 PolarHBondContact OG1-NE2 2.9Å; T380-Q417 PolarHBondContact OG1-OE1 3.03Å; T380-Q417 VanDerWaalsContact OG1-OE1 3.14Å; T380-K420 PolarHBondContact OG1-NZ 2.67Å | ||
| 381 | D | 71.3 | Confident | 84.6 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | trans | -55.3 | 125 | 168.6 | -145.3 | -27.4 | 0 | 0 | 0 | 106.8 | E383 E384 L385 K625 | D381-E383 PolarHBondContact O-N 2.94Å; D381-E384 HydrophobicContact CB-CB 3.35Å; D381-E384 PolarHBondContact O-N 3Å; D381-E384 VanDerWaalsContact O-N 3.09Å; D381-L385 WeakPolarHBondContact O-CB 3.41Å; D381-L385 PolarHBondContact O-N 3.07Å; D381-K625 HydrophobicContact CB-CD 4.12Å; D381-K625 VanDerWaalsContact CG-CE 3.48Å; D381-K625 VanDerWaalsContact OD2-CD 3.24Å; D381-K625 WeakPolarHBondContact OD2-CD 3.38Å; D381-K625 IonicContact OD2-NZ 3.31Å | ||
| 382 | E | 82 | Confident | 84.4 | Confident | 95 Ų | 95 | 53.6 Ų | 53.6 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -53.9 | -38.9 | 175.3 | -89.7 | -123.4 | 144.8 | 0 | 0 | 110.6 | T380 R386 R654 | T380-E382 PolarHBondContact O-N 3.49Å; T380-E382 VanDerWaalsContact O-N 3.08Å; E382-R386 WeakPolarHBondContact O-CB 3.36Å; E382-R386 VanDerWaalsContact O-CG 3.3Å; E382-R386 WeakPolarHBondContact O-CG 3.43Å; E382-R386 PolarHBondContact O-N 3.28Å; E382-R386 IonicContact OE1-NH2 3.55Å; E382-R386 IonicContact OE2-CZ 3.12Å; E382-R386 VanDerWaalsContact OE2-CZ 3.31Å; E382-R386 IonicContact OE2-NH1 3.15Å; E382-R386 PolarHBondContact OE2-NH1 3.14Å; E382-R386 IonicContact OE2-NH2 3.91Å; E382-R386 PolarHBondContact OE2-NH2 3.04Å; E382-R654 IonicContact OE1-CZ 2.76Å; E382-R654 IonicContact OE1-NH1 3.8Å; E382-R654 PolarHBondContact OE1-NH1 2.95Å |
| 383 | E | 82.2 | Confident | 84.2 | Confident | 133 Ų | 133 | 52.2 Ų | 52.2 | 62% | 0.621 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.6 | -43.4 | 175.8 | -70.9 | -63.4 | 131.7 | 0 | 0 | 113.1 | D381 R386 K387 | D381-E383 PolarHBondContact O-N 2.94Å; E383-R386 PolarHBondContact O-N 3.43Å; E383-K387 VanDerWaalsContact O-CB 3.27Å; E383-K387 WeakPolarHBondContact O-CB 3.41Å; E383-K387 PolarHBondContact O-N 3.47Å |
| 384 | E | 86.4 | Confident | 84.1 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 178.9 | -172.5 | 176.7 | -159.8 | 0 | 0 | 110.5 | T380 D381 K387 E388 K625 | T380-E384 HydrophobicContact CG2-CB 4.32Å; T380-E384 HydrophobicContact CG2-CG 4.44Å; D381-E384 HydrophobicContact CB-CB 3.35Å; D381-E384 PolarHBondContact O-N 3Å; D381-E384 VanDerWaalsContact O-N 3.09Å; E384-K387 WeakPolarHBondContact O-CB 3.45Å; E384-K387 PolarHBondContact O-N 3.37Å; E384-E388 WeakPolarHBondContact O-CB 3.41Å; E384-E388 VanDerWaalsContact O-CG 3.28Å; E384-E388 WeakPolarHBondContact O-CG 3.41Å; E384-E388 PolarHBondContact O-N 3.34Å; E384-K625 IonicContact OE2-NZ 3.97Å |
| 385 | L | 88.8 | Confident | 84.1 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 175.1 | -177.6 | 61.2 | 0 | 0 | 0 | 110.7 | T380 D381 K387 E388 I389 I413 R654 | T380-L385 HydrophobicContact CG2-CB 4.29Å; D381-L385 WeakPolarHBondContact O-CB 3.41Å; D381-L385 PolarHBondContact O-N 3.07Å; L385-K387 VanDerWaalsContact C-N 3.3Å; L385-K387 PolarHBondContact O-N 3.16Å; L385-E388 PolarHBondContact O-N 2.74Å; L385-I389 HydrophobicContact CD1-CD1 4.2Å; L385-I389 HydrophobicContact CD1-CG1 4.39Å; L385-I389 HydrophobicContact CG-CD1 3.88Å; L385-I389 WeakPolarHBondContact O-CB 3.25Å; L385-I389 WeakPolarHBondContact O-CD1 3.42Å; L385-I389 WeakPolarHBondContact O-CG1 3.47Å; L385-I389 PolarHBondContact O-N 3.27Å; L385-I413 HydrophobicContact CD1-CG2 3.52Å; L385-R654 HydrophobicContact CD2-CG 4.22Å |
| 386 | R | 90.4 | Very high | 83.9 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 174.7 | -74.9 | -174.8 | -176.2 | 92.4 | 7.5 | 111.6 | E382 E383 I389 S390 V650 E651 R654 | E382-R386 WeakPolarHBondContact O-CB 3.36Å; E382-R386 VanDerWaalsContact O-CG 3.3Å; E382-R386 WeakPolarHBondContact O-CG 3.43Å; E382-R386 PolarHBondContact O-N 3.28Å; E382-R386 IonicContact OE1-NH2 3.55Å; E382-R386 IonicContact OE2-CZ 3.12Å; E382-R386 VanDerWaalsContact OE2-CZ 3.31Å; E382-R386 IonicContact OE2-NH1 3.15Å; E382-R386 PolarHBondContact OE2-NH1 3.14Å; E382-R386 IonicContact OE2-NH2 3.91Å; E382-R386 PolarHBondContact OE2-NH2 3.04Å; E383-R386 PolarHBondContact O-N 3.43Å; R386-I389 PolarHBondContact O-N 3.38Å; R386-S390 WeakPolarHBondContact O-CB 3.33Å; R386-S390 PolarHBondContact O-N 2.92Å; R386-V650 HydrophobicContact CB-CG1 3.86Å; R386-V650 HydrophobicContact CG-CG1 3.85Å; R386-E651 IonicContact CZ-OE2 3.21Å; R386-E651 IonicContact NE-OE2 3.38Å; R386-E651 PolarHBondContact NE-OE2 3.47Å; R386-E651 IonicContact NH2-OE2 2.77Å; R386-R654 VanDerWaalsContact NH2-CD 3.32Å |
| 387 | K | 91.2 | Very high | 83.9 | Confident | 128 Ų | 128 | 62 Ų | 62 | 56% | 0.557 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 175.3 | -177.8 | 173.6 | 178.4 | 175.7 | 0 | 111.9 | E383 E384 L385 S390 Y391 | E383-K387 VanDerWaalsContact O-CB 3.27Å; E383-K387 WeakPolarHBondContact O-CB 3.41Å; E383-K387 PolarHBondContact O-N 3.47Å; E384-K387 WeakPolarHBondContact O-CB 3.45Å; E384-K387 PolarHBondContact O-N 3.37Å; L385-K387 VanDerWaalsContact C-N 3.3Å; L385-K387 PolarHBondContact O-N 3.16Å; K387-S390 WeakPolarHBondContact O-CB 3.4Å; K387-S390 PolarHBondContact O-N 3.36Å; K387-Y391 HydrophobicContact CD-CE2 4.15Å; K387-Y391 HydrophobicContact CG-CD2 3.85Å; K387-Y391 HydrophobicContact CG-CE2 3.54Å; K387-Y391 WeakPolarHBondContact O-CD2 3.47Å; K387-Y391 PolarHBondContact O-N 2.85Å |
| 388 | E | 90.7 | Very high | 83.9 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.4 | -75.6 | -173.8 | -178.3 | 0 | 0 | 111.9 | E384 L385 Y391 A392 I413 K416 | E384-E388 WeakPolarHBondContact O-CB 3.41Å; E384-E388 VanDerWaalsContact O-CG 3.28Å; E384-E388 WeakPolarHBondContact O-CG 3.41Å; E384-E388 PolarHBondContact O-N 3.34Å; L385-E388 PolarHBondContact O-N 2.74Å; E388-Y391 PolarHBondContact O-N 3.04Å; E388-A392 VanDerWaalsContact O-CB 3.32Å; E388-A392 WeakPolarHBondContact O-CB 3.49Å; E388-A392 PolarHBondContact O-N 3.08Å; E388-I413 HydrophobicContact CB-CD1 3.84Å; E388-K416 IonicContact OE1-NZ 2.78Å; E388-K416 PolarHBondContact OE1-NZ 3.01Å; E388-K416 IonicContact OE2-NZ 2.68Å; E388-K416 PolarHBondContact OE2-NZ 3.17Å |
| 389 | I | 91.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.6 | -66.8 | 163.1 | 0 | 0 | 0 | 109.8 | L385 R386 Y391 A392 I393 I413 V650 I653 R654 | L385-I389 HydrophobicContact CD1-CD1 4.2Å; L385-I389 HydrophobicContact CD1-CG1 4.39Å; L385-I389 HydrophobicContact CG-CD1 3.88Å; L385-I389 WeakPolarHBondContact O-CB 3.25Å; L385-I389 WeakPolarHBondContact O-CD1 3.42Å; L385-I389 WeakPolarHBondContact O-CG1 3.47Å; L385-I389 PolarHBondContact O-N 3.27Å; R386-I389 PolarHBondContact O-N 3.38Å; I389-Y391 PolarHBondContact O-N 2.94Å; I389-A392 PolarHBondContact O-N 3.43Å; I389-A392 VanDerWaalsContact O-N 3.16Å; I389-I393 HydrophobicContact CG2-CD1 3.81Å; I389-I393 HydrophobicContact CG2-CG1 4.26Å; I389-I393 VanDerWaalsContact O-CG1 3.26Å; I389-I393 WeakPolarHBondContact O-CG1 3.24Å; I389-I393 PolarHBondContact O-N 3.04Å; I389-I413 HydrophobicContact CG1-CD1 4.3Å; I389-I413 HydrophobicContact CG1-CG1 3.92Å; I389-I413 HydrophobicContact CG1-CG2 4.18Å; I389-V650 HydrophobicContact CB-CG1 4.27Å; I389-V650 HydrophobicContact CG2-CB 4.18Å; I389-V650 HydrophobicContact CG2-CG1 4.13Å; I389-V650 HydrophobicContact CG2-CG2 4.03Å; I389-I653 HydrophobicContact CD1-CG2 4.13Å; I389-I653 HydrophobicContact CG1-CG2 4.05Å; I389-I653 HydrophobicContact CG2-CB 3.85Å; I389-I653 HydrophobicContact CG2-CD1 3.99Å; I389-I653 HydrophobicContact CG2-CG2 3.79Å; I389-R654 HydrophobicContact CD1-CB 3.98Å |
| 390 | S | 89.6 | Confident | 84.7 | Confident | 24 Ų | 24 | 73 Ų | 73 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 112 | R386 K387 R394 | R386-S390 WeakPolarHBondContact O-CB 3.33Å; R386-S390 PolarHBondContact O-N 2.92Å; K387-S390 WeakPolarHBondContact O-CB 3.4Å; K387-S390 PolarHBondContact O-N 3.36Å; S390-R394 WeakPolarHBondContact O-CB 3.23Å; S390-R394 WeakPolarHBondContact O-CG 3.46Å; S390-R394 PolarHBondContact O-N 2.78Å |
| 391 | Y | 90.5 | Very high | 84.8 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 173.7 | -77.9 | -62.2 | 0 | 0 | 0 | 112.6 | K387 E388 I389 R394 N395 | K387-Y391 HydrophobicContact CD-CE2 4.15Å; K387-Y391 HydrophobicContact CG-CD2 3.85Å; K387-Y391 HydrophobicContact CG-CE2 3.54Å; K387-Y391 WeakPolarHBondContact O-CD2 3.47Å; K387-Y391 PolarHBondContact O-N 2.85Å; E388-Y391 PolarHBondContact O-N 3.04Å; I389-Y391 PolarHBondContact O-N 2.94Å; Y391-R394 PolarHBondContact O-N 3.48Å; Y391-N395 VanDerWaalsContact O-CB 3.23Å; Y391-N395 WeakPolarHBondContact O-CB 3.44Å; Y391-N395 PolarHBondContact O-N 3.21Å; Y391-N395 PolarHBondContact O-ND2 3.31Å |
| 392 | A | 90.4 | Very high | 84.5 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E388 I389 R394 N395 I396 A409 I413 | E388-A392 VanDerWaalsContact O-CB 3.32Å; E388-A392 WeakPolarHBondContact O-CB 3.49Å; E388-A392 PolarHBondContact O-N 3.08Å; I389-A392 PolarHBondContact O-N 3.43Å; I389-A392 VanDerWaalsContact O-N 3.16Å; A392-R394 PolarHBondContact O-N 3.04Å; A392-N395 PolarHBondContact O-N 3.42Å; A392-I396 WeakPolarHBondContact O-CB 3.2Å; A392-I396 VanDerWaalsContact O-CD1 3.29Å; A392-I396 WeakPolarHBondContact O-CD1 3.32Å; A392-I396 WeakPolarHBondContact O-CG1 3.36Å; A392-I396 PolarHBondContact O-N 3.12Å; A392-A409 HydrophobicContact CB-CB 4.34Å; A392-I413 HydrophobicContact CB-CD1 4.12Å; A392-I413 HydrophobicContact CB-CG1 4.26Å |
| 393 | I | 87.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -55 | -54.6 | 175 | -66.5 | 167 | 0 | 0 | 0 | 109.8 | I389 N395 I396 H397 A409 L646 Q649 V650 I653 | I389-I393 HydrophobicContact CG2-CD1 3.81Å; I389-I393 HydrophobicContact CG2-CG1 4.26Å; I389-I393 VanDerWaalsContact O-CG1 3.26Å; I389-I393 WeakPolarHBondContact O-CG1 3.24Å; I389-I393 PolarHBondContact O-N 3.04Å; I393-N395 VanDerWaalsContact C-N 3.34Å; I393-N395 PolarHBondContact O-N 3.1Å; I393-I396 PolarHBondContact O-N 2.97Å; I393-H397 WeakPolarHBondContact CG2-CE1 3.42Å; I393-H397 WeakPolarHBondContact CG2-ND1 3.36Å; I393-H397 PolarHBondContact O-N 2.94Å; I393-H397 PolarHBondContact O-ND1 3.33Å; I393-A409 HydrophobicContact CG1-CB 4.03Å; I393-L646 HydrophobicContact CB-CD1 4.1Å; I393-L646 HydrophobicContact CD1-CD1 3.85Å; I393-L646 HydrophobicContact CG2-CD1 3.66Å; I393-Q649 HydrophobicContact CD1-CB 3.94Å; I393-V650 HydrophobicContact CD1-CG2 3.79Å; I393-I653 HydrophobicContact CD1-CD1 3.86Å; I393-I653 HydrophobicContact CG1-CD1 3.83Å |
| 394 | R | 86.4 | Confident | 82.8 | Confident | 98 Ų | 98 | 83 Ų | 83 | 37% | 0.37 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | -178.6 | -71.8 | 176 | 177.8 | -175 | 0.1 | 112.9 | S390 Y391 A392 H397 G398 L639 | S390-R394 WeakPolarHBondContact O-CB 3.23Å; S390-R394 WeakPolarHBondContact O-CG 3.46Å; S390-R394 PolarHBondContact O-N 2.78Å; Y391-R394 PolarHBondContact O-N 3.48Å; A392-R394 PolarHBondContact O-N 3.04Å; R394-H397 WeakPolarHBondContact O-CB 3.44Å; R394-G398 PolarHBondContact O-N 3.14Å; R394-L639 VanDerWaalsContact NH1-CD2 3.32Å |
| 395 | N | 87.4 | Confident | 81.7 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 66% | 0.658 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -71.7 | -36.5 | 179.7 | -72.1 | -20.2 | 0 | 0 | 0 | 112.5 | Y391 A392 I393 G398 | Y391-N395 VanDerWaalsContact O-CB 3.23Å; Y391-N395 WeakPolarHBondContact O-CB 3.44Å; Y391-N395 PolarHBondContact O-N 3.21Å; Y391-N395 PolarHBondContact O-ND2 3.31Å; A392-N395 PolarHBondContact O-N 3.42Å; I393-N395 VanDerWaalsContact C-N 3.34Å; I393-N395 PolarHBondContact O-N 3.1Å; N395-G398 PolarHBondContact O-N 2.94Å |
| 396 | I | 86.7 | Confident | 80.8 | Confident | 58 Ų | 58 | 79.5 Ų | 79.5 | 30% | 0.297 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 176.3 | -70.6 | 161.7 | 0 | 0 | 0 | 110.7 | A392 I393 G398 T405 L408 A409 | A392-I396 WeakPolarHBondContact O-CB 3.2Å; A392-I396 VanDerWaalsContact O-CD1 3.29Å; A392-I396 WeakPolarHBondContact O-CD1 3.32Å; A392-I396 WeakPolarHBondContact O-CG1 3.36Å; A392-I396 PolarHBondContact O-N 3.12Å; I393-I396 PolarHBondContact O-N 2.97Å; I396-G398 VanDerWaalsContact C-N 3.27Å; I396-G398 PolarHBondContact O-N 2.96Å; I396-T405 HydrophobicContact CB-CG2 4.04Å; I396-T405 HydrophobicContact CG2-CG2 3.52Å; I396-L408 HydrophobicContact CD1-CB 3.85Å; I396-L408 HydrophobicContact CD1-CD2 4.14Å; I396-L408 HydrophobicContact CD1-CG 3.81Å; I396-L408 HydrophobicContact CG1-CB 4.46Å; I396-L408 HydrophobicContact CG1-CD2 3.87Å; I396-L408 HydrophobicContact CG1-CG 4.09Å; I396-L408 HydrophobicContact CG2-CB 4.38Å; I396-L408 HydrophobicContact CG2-CD2 3.91Å; I396-A409 VanDerWaalsContact CD1-CA 3.47Å; I396-A409 HydrophobicContact CD1-CB 3.67Å; I396-A409 VanDerWaalsContact CD1-N 3.26Å |
| 397 | H | 82.9 | Confident | 80.4 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 17% | 0.167 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 169.7 | -74.8 | 120.5 | 0 | 0 | 0 | 112 | I393 R394 I399 R400 G402 T405 | I393-H397 WeakPolarHBondContact CG2-CE1 3.42Å; I393-H397 WeakPolarHBondContact CG2-ND1 3.36Å; I393-H397 PolarHBondContact O-N 2.94Å; I393-H397 PolarHBondContact O-ND1 3.33Å; R394-H397 WeakPolarHBondContact O-CB 3.44Å; H397-I399 PolarHBondContact O-N 3.47Å; H397-I399 VanDerWaalsContact O-N 3.15Å; H397-R400 WeakPolarHBondContact CB-O 3.29Å; H397-R400 WeakPolarHBondContact O-CB 3.42Å; H397-R400 PolarHBondContact O-N 3.4Å; H397-G402 WeakPolarHBondContact CD2-CA 3.49Å; H397-G402 PolarHBondContact CD2-N 2.96Å; H397-G402 WeakPolarHBondContact NE2-CA 3.41Å; H397-G402 PolarHBondContact NE2-N 3.32Å; H397-T405 PolarHBondContact CE1-OG1 3.17Å; H397-T405 PolarHBondContact NE2-OG1 3.34Å |
| 398 | G | 81.2 | Confident | 80.3 | Confident | 56 Ų | 56 | 79.9 Ų | 79.9 | 58% | 0.577 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -119.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110 | R394 N395 I396 | R394-G398 PolarHBondContact O-N 3.14Å; N395-G398 PolarHBondContact O-N 2.94Å; I396-G398 VanDerWaalsContact C-N 3.27Å; I396-G398 PolarHBondContact O-N 2.96Å |
| 399 | I | 81.1 | Confident | 80.2 | Confident | 177 Ų | 177 | 78.2 Ų | 78.2 | 91% | 0.908 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -3.8 | 178.7 | 62.4 | 171.5 | 0 | 0 | 0 | 114.1 | H397 | H397-I399 PolarHBondContact O-N 3.47Å; H397-I399 VanDerWaalsContact O-N 3.15Å |
| 400 | R | 77.1 | Confident | 80.3 | Confident | 202 Ų | 202 | 78.7 Ų | 78.7 | 76% | 0.762 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -98.8 | 140.6 | -174.3 | -58.4 | 176.6 | -176.1 | 155.9 | 1 | 110.6 | H397 G402 | H397-R400 WeakPolarHBondContact CB-O 3.29Å; H397-R400 WeakPolarHBondContact O-CB 3.42Å; H397-R400 PolarHBondContact O-N 3.4Å; R400-G402 PolarHBondContact O-N 3.45Å |
| 401 | T | 66.9 | Low | 80.3 | Confident | 141 Ų | 141 | 80.3 Ų | 80.3 | 87% | 0.865 | 41% | 0.414 | S | S | * | . | trans | -71.7 | 111.2 | 163.1 | 51.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 402 | G | 63.9 | Low | 80.4 | Confident | 34 Ų | 34 | 78.5 Ų | 78.5 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | trans | -89.3 | 137.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H397 R400 | H397-G402 WeakPolarHBondContact CD2-CA 3.49Å; H397-G402 PolarHBondContact CD2-N 2.96Å; H397-G402 WeakPolarHBondContact NE2-CA 3.41Å; H397-G402 PolarHBondContact NE2-N 3.32Å; R400-G402 PolarHBondContact O-N 3.45Å | ||
| 403 | L | 66 | Low | 80.5 | Confident | 152 Ų | 152 | 78.2 Ų | 78.2 | 80% | 0.796 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -94.8 | -22.8 | 172.7 | -69.7 | 157.3 | 0 | 0 | 0 | 111.2 | ||
| 404 | F | 63.5 | Low | 80.8 | Confident | 186 Ų | 186 | 78.1 Ų | 78.1 | 82% | 0.816 | 41% | 0.411 | S | S | * | . | trans | -146.5 | 109.4 | -175 | -61.7 | -82.3 | 0 | 0 | 0 | 109.6 | ||||
| 405 | T | 63.3 | Low | 81.1 | Confident | 4 Ų | 4 | 77.3 Ų | 77.3 | 3% | 0.025 | 41% | 0.408 | C | S | . | . | trans | -143.2 | 0.2 | -173.6 | -11.1 | 0 | 0 | 0 | 0 | 116.5 | I396 H397 D407 | I396-T405 HydrophobicContact CB-CG2 4.04Å; I396-T405 HydrophobicContact CG2-CG2 3.52Å; H397-T405 PolarHBondContact CE1-OG1 3.17Å; H397-T405 PolarHBondContact NE2-OG1 3.34Å; T405-D407 PolarHBondContact O-N 2.92Å | ||
| 406 | P | 69.2 | Low | 81.4 | Confident | 35 Ų | 35 | 76 Ų | 76 | 23% | 0.227 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | -178.3 | -24.8 | 33.2 | 0 | 0 | 0 | 116.1 | F410 F497 | P406-F410 WeakPolarHBondContact O-CB 3.49Å; P406-F410 PolarHBondContact O-N 2.86Å; P406-F497 HydrophobicContact CB-CD2 4.48Å; P406-F497 HydrophobicContact CB-CE2 3.75Å; P406-F497 HydrophobicContact CG-CE2 3.66Å; P406-F497 HydrophobicContact CG-CZ 4.11Å |
| 407 | D | 82.8 | Confident | 81.6 | Confident | 115 Ų | 115 | 73.6 Ų | 73.6 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -71.5 | -53.1 | -165.6 | 60.2 | -23.9 | 0 | 0 | 0 | 113 | T405 A409 F410 E411 | T405-D407 PolarHBondContact O-N 2.92Å; D407-A409 VanDerWaalsContact C-N 3.3Å; D407-A409 PolarHBondContact O-N 2.65Å; D407-F410 PolarHBondContact O-N 2.98Å; D407-E411 WeakPolarHBondContact O-CB 3.34Å; D407-E411 PolarHBondContact O-N 3.47Å |
| 408 | L | 87.4 | Confident | 82.2 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 42% | 0.424 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.3 | -31.4 | -177.8 | -172.4 | 63.1 | 0 | 0 | 0 | 111.9 | I396 T412 | I396-L408 HydrophobicContact CD1-CB 3.85Å; I396-L408 HydrophobicContact CD1-CD2 4.14Å; I396-L408 HydrophobicContact CD1-CG 3.81Å; I396-L408 HydrophobicContact CG1-CB 4.46Å; I396-L408 HydrophobicContact CG1-CD2 3.87Å; I396-L408 HydrophobicContact CG1-CG 4.09Å; I396-L408 HydrophobicContact CG2-CB 4.38Å; I396-L408 HydrophobicContact CG2-CD2 3.91Å; L408-T412 VanDerWaalsContact O-CB 3.29Å; L408-T412 WeakPolarHBondContact O-CB 3.28Å; L408-T412 PolarHBondContact O-N 3.23Å; L408-T412 PolarHBondContact O-OG1 2.95Å |
| 409 | A | 90.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.7 | -46.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A392 I393 I396 D407 E411 T412 I413 I653 | A392-A409 HydrophobicContact CB-CB 4.34Å; I393-A409 HydrophobicContact CG1-CB 4.03Å; I396-A409 VanDerWaalsContact CD1-CA 3.47Å; I396-A409 HydrophobicContact CD1-CB 3.67Å; I396-A409 VanDerWaalsContact CD1-N 3.26Å; D407-A409 VanDerWaalsContact C-N 3.3Å; D407-A409 PolarHBondContact O-N 2.65Å; A409-E411 VanDerWaalsContact C-N 3.31Å; A409-E411 PolarHBondContact O-N 3.49Å; A409-T412 PolarHBondContact O-N 3.08Å; A409-I413 WeakPolarHBondContact O-CB 3.42Å; A409-I413 WeakPolarHBondContact O-CG1 3.48Å; A409-I413 PolarHBondContact O-N 2.95Å; A409-I653 HydrophobicContact CB-CD1 3.57Å |
| 410 | F | 91.8 | Very high | 83.4 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.044 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.1 | -47 | 170.7 | 165.4 | -106.8 | 0 | 0 | 0 | 111.5 | P406 D407 T414 M487 T489 F494 I653 L656 V657 Y660 | P406-F410 WeakPolarHBondContact O-CB 3.49Å; P406-F410 PolarHBondContact O-N 2.86Å; D407-F410 PolarHBondContact O-N 2.98Å; F410-T414 WeakPolarHBondContact CD2-OG1 3.15Å; F410-T414 VanDerWaalsContact CE2-OG1 3.24Å; F410-T414 WeakPolarHBondContact CE2-OG1 3.44Å; F410-T414 WeakPolarHBondContact O-CB 3.42Å; F410-T414 PolarHBondContact O-N 3.46Å; F410-T414 PolarHBondContact O-OG1 3.36Å; F410-M487 HydrophobicContact CD1-CE 3.91Å; F410-M487 HydrophobicContact CE1-CE 3.72Å; F410-M487 HydrophobicContact CE1-SD 4Å; F410-M487 HydrophobicContact CZ-SD 4.49Å; F410-T489 HydrophobicContact CE1-CG2 4.21Å; F410-F494 HydrophobicContact CE1-CZ 4.44Å; F410-F494 HydrophobicContact CE2-CE2 4.32Å; F410-F494 HydrophobicContact CE2-CZ 4.27Å; F410-F494 HydrophobicContact CZ-CE2 4.07Å; F410-F494 AromaticContact CZ-CZ 3.85Å; F410-F494 HydrophobicContact CZ-CZ 3.85Å; F410-I653 HydrophobicContact CB-CG2 4.28Å; F410-L656 HydrophobicContact CD2-CB 3.58Å; F410-L656 VanDerWaalsContact CE2-C 3.49Å; F410-L656 HydrophobicContact CE2-CB 3.76Å; F410-L656 WeakPolarHBondContact CE2-O 3.37Å; F410-L656 HydrophobicContact CG-CB 4.41Å; F410-V657 HydrophobicContact CD2-CG2 3.87Å; F410-V657 HydrophobicContact CE2-CG2 4.38Å; F410-Y660 HydrophobicContact CZ-CD2 4.18Å; F410-Y660 AromaticContact CZ-CG 3.98Å; F410-Y660 HydrophobicContact CZ-CG 3.98Å |
| 411 | E | 91.4 | Very high | 84.1 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 179.1 | -179.9 | 165.1 | -170.9 | 0 | 0 | 112.6 | D407 A409 I413 T414 R415 M487 | D407-E411 WeakPolarHBondContact O-CB 3.34Å; D407-E411 PolarHBondContact O-N 3.47Å; A409-E411 VanDerWaalsContact C-N 3.31Å; A409-E411 PolarHBondContact O-N 3.49Å; E411-I413 VanDerWaalsContact C-N 3.34Å; E411-I413 PolarHBondContact O-N 3.4Å; E411-T414 PolarHBondContact O-N 2.92Å; E411-R415 HydrophobicContact CG-CG 4.29Å; E411-R415 VanDerWaalsContact O-CB 3.3Å; E411-R415 WeakPolarHBondContact O-CB 3.39Å; E411-R415 WeakPolarHBondContact O-CG 3.42Å; E411-R415 PolarHBondContact O-N 2.97Å; E411-R415 IonicContact OE1-CZ 2.85Å; E411-R415 IonicContact OE1-NE 3.84Å; E411-R415 PolarHBondContact OE1-NE 3.42Å; E411-R415 IonicContact OE1-NH2 3.34Å; E411-R415 PolarHBondContact OE1-NH2 2.85Å; E411-M487 VanDerWaalsContact CA-CE 3.42Å; E411-M487 HydrophobicContact CB-CE 3.33Å; E411-M487 HydrophobicContact CB-SD 4.27Å; E411-M487 HydrophobicContact CG-CE 3.42Å; E411-M487 VanDerWaalsContact CG-CE 3.42Å; E411-M487 HydrophobicContact CG-SD 4.13Å |
| 412 | T | 91.5 | Very high | 85.4 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | -177.7 | -59.1 | 0 | 0 | 0 | 0 | 111 | L408 A409 K416 | L408-T412 VanDerWaalsContact O-CB 3.29Å; L408-T412 WeakPolarHBondContact O-CB 3.28Å; L408-T412 PolarHBondContact O-N 3.23Å; L408-T412 PolarHBondContact O-OG1 2.95Å; A409-T412 PolarHBondContact O-N 3.08Å; T412-K416 WeakPolarHBondContact O-CB 3.28Å; T412-K416 PolarHBondContact O-N 3.45Å |
| 413 | I | 92.4 | Very high | 86.9 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.5 | -45.5 | -178.2 | -62.1 | -65.1 | 0 | 0 | 0 | 110.7 | L385 E388 I389 A392 A409 E411 R415 K416 Q417 V657 | L385-I413 HydrophobicContact CD1-CG2 3.52Å; E388-I413 HydrophobicContact CB-CD1 3.84Å; I389-I413 HydrophobicContact CG1-CD1 4.3Å; I389-I413 HydrophobicContact CG1-CG1 3.92Å; I389-I413 HydrophobicContact CG1-CG2 4.18Å; A392-I413 HydrophobicContact CB-CD1 4.12Å; A392-I413 HydrophobicContact CB-CG1 4.26Å; A409-I413 WeakPolarHBondContact O-CB 3.42Å; A409-I413 WeakPolarHBondContact O-CG1 3.48Å; A409-I413 PolarHBondContact O-N 2.95Å; E411-I413 VanDerWaalsContact C-N 3.34Å; E411-I413 PolarHBondContact O-N 3.4Å; I413-R415 PolarHBondContact O-N 3.27Å; I413-K416 WeakPolarHBondContact O-CB 3.25Å; I413-K416 PolarHBondContact O-N 3.42Å; I413-Q417 WeakPolarHBondContact O-CG 3.35Å; I413-Q417 PolarHBondContact O-N 3.12Å; I413-Q417 VanDerWaalsContact O-N 3.08Å; I413-V657 HydrophobicContact CB-CG2 4.13Å; I413-V657 HydrophobicContact CG2-CG1 4.11Å; I413-V657 HydrophobicContact CG2-CG2 3.78Å |
| 414 | T | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 179.1 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | F410 E411 K416 Q417 I418 M487 Y660 M661 | F410-T414 WeakPolarHBondContact CD2-OG1 3.15Å; F410-T414 VanDerWaalsContact CE2-OG1 3.24Å; F410-T414 WeakPolarHBondContact CE2-OG1 3.44Å; F410-T414 WeakPolarHBondContact O-CB 3.42Å; F410-T414 PolarHBondContact O-N 3.46Å; F410-T414 PolarHBondContact O-OG1 3.36Å; E411-T414 PolarHBondContact O-N 2.92Å; T414-K416 VanDerWaalsContact C-N 3.3Å; T414-K416 PolarHBondContact O-N 3.19Å; T414-Q417 PolarHBondContact O-N 3.31Å; T414-I418 HydrophobicContact CG2-CD1 3.86Å; T414-I418 HydrophobicContact CG2-CG1 4.34Å; T414-I418 WeakPolarHBondContact O-CG1 3.34Å; T414-I418 PolarHBondContact O-N 3.27Å; T414-M487 HydrophobicContact CG2-SD 3.95Å; T414-Y660 HydrophobicContact CG2-CD1 3.34Å; T414-Y660 HydrophobicContact CG2-CE1 3.95Å; T414-Y660 HydrophobicContact CG2-CG 4.15Å; T414-M661 HydrophobicContact CG2-SD 4.43Å |
| 415 | R | 94.3 | Very high | 89.8 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 30% | 0.302 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56 | -44.3 | 175.7 | -74.2 | 172.7 | 177.5 | -69.8 | -10.2 | 112 | E411 I413 Q417 I418 D419 L484 | E411-R415 HydrophobicContact CG-CG 4.29Å; E411-R415 VanDerWaalsContact O-CB 3.3Å; E411-R415 WeakPolarHBondContact O-CB 3.39Å; E411-R415 WeakPolarHBondContact O-CG 3.42Å; E411-R415 PolarHBondContact O-N 2.97Å; E411-R415 IonicContact OE1-CZ 2.85Å; E411-R415 IonicContact OE1-NE 3.84Å; E411-R415 PolarHBondContact OE1-NE 3.42Å; E411-R415 IonicContact OE1-NH2 3.34Å; E411-R415 PolarHBondContact OE1-NH2 2.85Å; I413-R415 PolarHBondContact O-N 3.27Å; R415-Q417 VanDerWaalsContact C-N 3.28Å; R415-Q417 PolarHBondContact O-N 2.91Å; R415-I418 PolarHBondContact O-N 3.43Å; R415-D419 PolarHBondContact O-N 3.37Å; R415-L484 HydrophobicContact CB-CD2 4.04Å; R415-L484 HydrophobicContact CG-CD2 4.28Å; R415-L484 PolarHBondContact NH1-O 2.99Å; R415-L484 PolarHBondContact NH2-O 3.46Å; R415-L484 VanDerWaalsContact O-CD2 3.29Å; R415-L484 WeakPolarHBondContact O-CD2 3.4Å |
| 416 | K | 92.5 | Very high | 91.4 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -36.1 | 177.6 | -172.2 | -178.6 | 178 | -167.8 | 0 | 112.2 | E388 T412 I413 T414 | E388-K416 IonicContact OE1-NZ 2.78Å; E388-K416 PolarHBondContact OE1-NZ 3.01Å; E388-K416 IonicContact OE2-NZ 2.68Å; E388-K416 PolarHBondContact OE2-NZ 3.17Å; T412-K416 WeakPolarHBondContact O-CB 3.28Å; T412-K416 PolarHBondContact O-N 3.45Å; I413-K416 WeakPolarHBondContact O-CB 3.25Å; I413-K416 PolarHBondContact O-N 3.42Å; T414-K416 VanDerWaalsContact C-N 3.3Å; T414-K416 PolarHBondContact O-N 3.19Å |
| 417 | Q | 91.7 | Very high | 92.7 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75.3 | -39.3 | 177.2 | -62.2 | -62.6 | 10.4 | 0 | 0 | 112.9 | T380 I413 T414 R415 D419 K420 M661 | T380-Q417 PolarHBondContact OG1-NE2 2.9Å; T380-Q417 PolarHBondContact OG1-OE1 3.03Å; T380-Q417 VanDerWaalsContact OG1-OE1 3.14Å; I413-Q417 WeakPolarHBondContact O-CG 3.35Å; I413-Q417 PolarHBondContact O-N 3.12Å; I413-Q417 VanDerWaalsContact O-N 3.08Å; T414-Q417 PolarHBondContact O-N 3.31Å; R415-Q417 VanDerWaalsContact C-N 3.28Å; R415-Q417 PolarHBondContact O-N 2.91Å; Q417-D419 VanDerWaalsContact C-N 3.35Å; Q417-D419 PolarHBondContact O-N 3.01Å; Q417-K420 PolarHBondContact O-N 3.44Å; Q417-M661 HydrophobicContact CB-CE 3.71Å; Q417-M661 HydrophobicContact CB-CG 4.18Å; Q417-M661 HydrophobicContact CB-SD 3.53Å; Q417-M661 VanDerWaalsContact CB-SD 3.53Å |
| 418 | I | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.4 | -65.6 | 173.4 | 0 | 0 | 0 | 110.8 | T414 R415 K420 M421 V480 Q483 L484 Y660 M661 V664 | T414-I418 HydrophobicContact CG2-CD1 3.86Å; T414-I418 HydrophobicContact CG2-CG1 4.34Å; T414-I418 WeakPolarHBondContact O-CG1 3.34Å; T414-I418 PolarHBondContact O-N 3.27Å; R415-I418 PolarHBondContact O-N 3.43Å; I418-K420 VanDerWaalsContact C-N 3.26Å; I418-K420 PolarHBondContact O-N 3.36Å; I418-M421 WeakPolarHBondContact O-CB 3.28Å; I418-M421 WeakPolarHBondContact O-CG 3.19Å; I418-M421 PolarHBondContact O-N 3.41Å; I418-V480 HydrophobicContact CG2-CG1 3.95Å; I418-V480 WeakPolarHBondContact O-CG1 3.31Å; I418-Q483 HydrophobicContact CG2-CB 3.8Å; I418-L484 HydrophobicContact CB-CD2 3.74Å; I418-L484 HydrophobicContact CB-CG 4.42Å; I418-L484 HydrophobicContact CG2-CD2 3.69Å; I418-L484 HydrophobicContact CG2-CG 3.81Å; I418-Y660 HydrophobicContact CD1-CD1 4.43Å; I418-Y660 HydrophobicContact CD1-CE1 4Å; I418-M661 HydrophobicContact CG1-CE 4.45Å; I418-M661 HydrophobicContact CG1-SD 3.76Å; I418-V664 HydrophobicContact CD1-CG1 4.42Å; I418-V664 HydrophobicContact CD1-CG2 4.05Å; I418-V664 HydrophobicContact CG1-CG1 4.15Å; I418-V664 HydrophobicContact CG1-CG2 4.39Å; I418-V664 HydrophobicContact CG2-CG1 4.41Å |
| 419 | D | 94.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 36.5 Ų | 36.5 | 40% | 0.401 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.5 | -34 | -178.8 | -170.4 | 62.5 | 0 | 0 | 0 | 112.7 | R415 Q417 M421 K422 L484 | R415-D419 PolarHBondContact O-N 3.37Å; Q417-D419 VanDerWaalsContact C-N 3.35Å; Q417-D419 PolarHBondContact O-N 3.01Å; D419-M421 PolarHBondContact O-N 2.88Å; D419-M421 VanDerWaalsContact O-N 3.13Å; D419-K422 WeakPolarHBondContact O-CB 3.47Å; D419-K422 WeakPolarHBondContact O-CG 3.45Å; D419-K422 PolarHBondContact O-N 3.2Å; D419-K422 WeakPolarHBondContact OD1-CE 3.33Å; D419-K422 IonicContact OD1-NZ 3.51Å; D419-K422 PolarHBondContact OD1-NZ 3.26Å; D419-L484 HydrophobicContact CB-CD1 4.27Å |
| 420 | K | 92.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 39.7 Ų | 39.7 | 30% | 0.3 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.5 | 174.8 | -66.8 | 175.8 | -171.2 | 169 | 0 | 113.3 | I378 T380 Q417 I418 K422 I423 P424 | I378-K420 HydrophobicContact CG2-CB 3.84Å; I378-K420 HydrophobicContact CG2-CD 4.08Å; T380-K420 PolarHBondContact OG1-NZ 2.67Å; Q417-K420 PolarHBondContact O-N 3.44Å; I418-K420 VanDerWaalsContact C-N 3.26Å; I418-K420 PolarHBondContact O-N 3.36Å; K420-K422 PolarHBondContact O-N 3.41Å; K420-I423 PolarHBondContact O-N 2.9Å; K420-P424 VanDerWaalsContact O-CD 3.23Å; K420-P424 WeakPolarHBondContact O-CD 3.12Å |
| 421 | M | 93.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.3 | 179.2 | -58.5 | 174.9 | 60.9 | 0 | 0 | 113.3 | M375 I378 I418 D419 I423 P424 S425 M661 V664 I665 Q668 | M375-M421 HydrophobicContact CE-CB 4.37Å; M375-M421 HydrophobicContact SD-CB 4.16Å; M375-M421 HydrophobicContact SD-CE 4.01Å; M375-M421 HydrophobicContact SD-CG 4.19Å; I378-M421 HydrophobicContact CD1-CB 4.11Å; I378-M421 HydrophobicContact CD1-CG 3.58Å; I418-M421 WeakPolarHBondContact O-CB 3.28Å; I418-M421 WeakPolarHBondContact O-CG 3.19Å; I418-M421 PolarHBondContact O-N 3.41Å; D419-M421 PolarHBondContact O-N 2.88Å; D419-M421 VanDerWaalsContact O-N 3.13Å; M421-I423 VanDerWaalsContact C-N 3.33Å; M421-I423 PolarHBondContact O-N 3.32Å; M421-P424 WeakPolarHBondContact O-CD 3.31Å; M421-S425 WeakPolarHBondContact O-CB 3.3Å; M421-S425 PolarHBondContact O-N 2.85Å; M421-S425 PolarHBondContact O-OG 2.63Å; M421-M661 HydrophobicContact SD-CE 3.88Å; M421-V664 HydrophobicContact CE-CG1 4.01Å; M421-V664 HydrophobicContact SD-CG1 3.75Å; M421-I665 HydrophobicContact CE-CG1 4Å; M421-I665 HydrophobicContact SD-CG1 4.28Å; M421-Q668 HydrophobicContact CE-CB 3.33Å; M421-Q668 HydrophobicContact CE-CG 3.62Å |
| 422 | K | 94.7 | Very high | 94.6 | Very high | 43 Ų | 43 | 39.4 Ų | 39.4 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57 | -46.2 | 174.3 | -72 | 176.6 | 177.2 | 163.8 | 0 | 111.7 | D419 K420 S425 L426 V480 D481 | D419-K422 WeakPolarHBondContact O-CB 3.47Å; D419-K422 WeakPolarHBondContact O-CG 3.45Å; D419-K422 PolarHBondContact O-N 3.2Å; D419-K422 WeakPolarHBondContact OD1-CE 3.33Å; D419-K422 IonicContact OD1-NZ 3.51Å; D419-K422 PolarHBondContact OD1-NZ 3.26Å; K420-K422 PolarHBondContact O-N 3.41Å; K422-S425 PolarHBondContact O-N 2.89Å; K422-L426 WeakPolarHBondContact O-CB 3.46Å; K422-L426 VanDerWaalsContact O-CG 3.3Å; K422-L426 WeakPolarHBondContact O-CG 3.36Å; K422-L426 PolarHBondContact O-N 3.38Å; K422-V480 HydrophobicContact CD-CG1 4.43Å; K422-V480 HydrophobicContact CG-CB 3.85Å; K422-V480 HydrophobicContact CG-CG1 3.78Å; K422-V480 HydrophobicContact CG-CG2 3.93Å; K422-D481 WeakPolarHBondContact CE-OD1 3.47Å; K422-D481 IonicContact NZ-OD1 3.97Å; K422-D481 PolarHBondContact NZ-OD1 3.19Å |
| 423 | I | 94.2 | Very high | 94.8 | Very high | 127 Ų | 127 | 36.7 Ų | 36.7 | 65% | 0.651 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -60.4 | -56.8 | -174.6 | -61 | 170.1 | 0 | 0 | 0 | 111.8 | K420 M421 S425 L426 K427 | K420-I423 PolarHBondContact O-N 2.9Å; M421-I423 VanDerWaalsContact C-N 3.33Å; M421-I423 PolarHBondContact O-N 3.32Å; I423-S425 VanDerWaalsContact C-N 3.31Å; I423-S425 PolarHBondContact O-N 2.67Å; I423-L426 PolarHBondContact O-N 3.46Å; I423-K427 WeakPolarHBondContact O-CB 3.36Å; I423-K427 PolarHBondContact O-N 2.92Å |
| 424 | P | 94.5 | Very high | 95 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.071 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -27.5 | 179.4 | 21.8 | -28.6 | 0 | 0 | 0 | 113.6 | E374 M375 I378 K420 M421 C428 | E374-P424 HydrophobicContact CB-CB 3.69Å; M375-P424 HydrophobicContact CE-CB 3.69Å; M375-P424 HydrophobicContact CE-CG 3.46Å; M375-P424 VanDerWaalsContact CE-CG 3.46Å; M375-P424 HydrophobicContact SD-CB 4.29Å; M375-P424 HydrophobicContact SD-CG 3.75Å; I378-P424 HydrophobicContact CD1-CG 3.66Å; I378-P424 HydrophobicContact CG1-CG 4.15Å; K420-P424 VanDerWaalsContact O-CD 3.23Å; K420-P424 WeakPolarHBondContact O-CD 3.12Å; M421-P424 WeakPolarHBondContact O-CD 3.31Å; P424-C428 PolarHBondContact O-N 3.43Å; P424-C428 VanDerWaalsContact O-N 3.11Å |
| 425 | S | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.1 | -44.3 | 173.2 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | M375 M421 K422 I423 C428 A429 Q668 | M375-S425 WeakPolarHBondContact CE-OG 3.37Å; M421-S425 WeakPolarHBondContact O-CB 3.3Å; M421-S425 PolarHBondContact O-N 2.85Å; M421-S425 PolarHBondContact O-OG 2.63Å; K422-S425 PolarHBondContact O-N 2.89Å; I423-S425 VanDerWaalsContact C-N 3.31Å; I423-S425 PolarHBondContact O-N 2.67Å; S425-C428 WeakPolarHBondContact O-CB 3.38Å; S425-C428 PolarHBondContact O-N 3Å; S425-A429 PolarHBondContact O-N 3.33Å; S425-Q668 PolarHBondContact OG-NE2 3.01Å |
| 426 | L | 96.8 | Very high | 95.1 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.2 | -39.7 | 176.2 | -71 | 172.6 | 0 | 0 | 0 | 111.9 | K422 I423 C428 A429 D430 R473 I476 V477 | K422-L426 WeakPolarHBondContact O-CB 3.46Å; K422-L426 VanDerWaalsContact O-CG 3.3Å; K422-L426 WeakPolarHBondContact O-CG 3.36Å; K422-L426 PolarHBondContact O-N 3.38Å; I423-L426 PolarHBondContact O-N 3.46Å; L426-C428 PolarHBondContact O-N 3.06Å; L426-A429 WeakPolarHBondContact O-CA 3.44Å; L426-A429 VanDerWaalsContact O-CB 3.31Å; L426-A429 WeakPolarHBondContact O-CB 3.36Å; L426-A429 PolarHBondContact O-N 3.29Å; L426-D430 PolarHBondContact O-N 2.88Å; L426-R473 HydrophobicContact CD2-CB 3.8Å; L426-R473 HydrophobicContact CD2-CG 3.94Å; L426-I476 HydrophobicContact CD2-CB 4.43Å; L426-I476 HydrophobicContact CD2-CG2 4.22Å; L426-I476 HydrophobicContact CG-CG2 4.47Å; L426-V477 HydrophobicContact CD1-CG2 4.28Å; L426-V477 HydrophobicContact CD2-CG2 4.21Å |
| 427 | K | 95.7 | Very high | 95.3 | Very high | 77 Ų | 77 | 34.9 Ų | 34.9 | 34% | 0.335 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.1 | -34.7 | 174.6 | -170.9 | 179.1 | -172 | -180 | 0 | 112.4 | E374 I423 A429 D430 L431 | E374-K427 WeakPolarHBondContact OE1-CE 3.2Å; E374-K427 IonicContact OE1-NZ 3.21Å; E374-K427 PolarHBondContact OE1-NZ 2.64Å; E374-K427 IonicContact OE2-NZ 3.58Å; I423-K427 WeakPolarHBondContact O-CB 3.36Å; I423-K427 PolarHBondContact O-N 2.92Å; K427-A429 VanDerWaalsContact C-N 3.35Å; K427-D430 PolarHBondContact O-N 2.83Å; K427-L431 WeakPolarHBondContact O-CG 3.48Å; K427-L431 PolarHBondContact O-N 3.13Å; K427-L431 VanDerWaalsContact O-N 3.13Å |
| 428 | C | 96.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | L371 P424 S425 L426 D430 L431 V432 V672 | L371-C428 HydrophobicContact CB-CB 4.47Å; L371-C428 HydrophobicContact CD1-CB 3.99Å; P424-C428 PolarHBondContact O-N 3.43Å; P424-C428 VanDerWaalsContact O-N 3.11Å; S425-C428 WeakPolarHBondContact O-CB 3.38Å; S425-C428 PolarHBondContact O-N 3Å; L426-C428 PolarHBondContact O-N 3.06Å; C428-D430 PolarHBondContact O-N 2.89Å; C428-L431 PolarHBondContact O-N 2.83Å; C428-V432 WeakPolarHBondContact O-CG2 3.37Å; C428-V432 PolarHBondContact O-N 2.77Å; C428-V672 HydrophobicContact CB-CG1 4.46Å |
| 429 | A | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S425 L426 K427 L431 V432 V433 I476 L676 | S425-A429 PolarHBondContact O-N 3.33Å; L426-A429 WeakPolarHBondContact O-CA 3.44Å; L426-A429 VanDerWaalsContact O-CB 3.31Å; L426-A429 WeakPolarHBondContact O-CB 3.36Å; L426-A429 PolarHBondContact O-N 3.29Å; K427-A429 VanDerWaalsContact C-N 3.35Å; A429-L431 VanDerWaalsContact C-N 3.32Å; A429-L431 PolarHBondContact O-N 3.32Å; A429-V432 PolarHBondContact O-N 3.43Å; A429-V433 WeakPolarHBondContact O-CG2 3.31Å; A429-V433 PolarHBondContact O-N 2.9Å; A429-I476 HydrophobicContact CB-CD1 3.83Å; A429-L676 HydrophobicContact CB-CD1 4.34Å; A429-L676 HydrophobicContact CB-CD2 3.74Å |
| 430 | D | 96.7 | Very high | 95.5 | Very high | 68 Ų | 68 | 36.7 Ų | 36.7 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.9 | -45 | 177.5 | -64 | -29.4 | 0 | 0 | 0 | 111.9 | L426 K427 C428 V433 A434 R473 | L426-D430 PolarHBondContact O-N 2.88Å; K427-D430 PolarHBondContact O-N 2.83Å; C428-D430 PolarHBondContact O-N 2.89Å; D430-V433 PolarHBondContact O-N 3.12Å; D430-A434 WeakPolarHBondContact O-CB 3.32Å; D430-A434 PolarHBondContact O-N 3.42Å; D430-R473 IonicContact OD1-CZ 2.7Å; D430-R473 IonicContact OD1-NH1 3.81Å; D430-R473 PolarHBondContact OD1-NH1 2.82Å; D430-R473 IonicContact OD2-NH1 2.93Å |
| 431 | L | 96.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 32% | 0.319 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.8 | -38.5 | 179.6 | -68.5 | 173.6 | 0 | 0 | 0 | 112.4 | I366 R370 K427 C428 A429 Q435 | I366-L431 HydrophobicContact CD1-CB 3.81Å; I366-L431 HydrophobicContact CG1-CB 4.17Å; I366-L431 HydrophobicContact CG2-CB 4.03Å; I366-L431 HydrophobicContact CG2-CD1 4.39Å; R370-L431 HydrophobicContact CG-CD1 3.82Å; K427-L431 WeakPolarHBondContact O-CG 3.48Å; K427-L431 PolarHBondContact O-N 3.13Å; K427-L431 VanDerWaalsContact O-N 3.13Å; C428-L431 PolarHBondContact O-N 2.83Å; A429-L431 VanDerWaalsContact C-N 3.32Å; A429-L431 PolarHBondContact O-N 3.32Å; L431-Q435 PolarHBondContact O-N 3.27Å; L431-Q435 VanDerWaalsContact O-N 3.12Å |
| 432 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -43.1 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | I363 I366 F367 C428 A429 Q435 L436 L676 L680 V681 | I363-V432 HydrophobicContact CG2-CG2 4.49Å; I366-V432 HydrophobicContact CG2-CG2 4.04Å; F367-V432 HydrophobicContact CD1-CG2 4.4Å; F367-V432 HydrophobicContact CE1-CG2 3.54Å; F367-V432 HydrophobicContact CZ-CG2 3.84Å; C428-V432 WeakPolarHBondContact O-CG2 3.37Å; C428-V432 PolarHBondContact O-N 2.77Å; A429-V432 PolarHBondContact O-N 3.43Å; V432-Q435 PolarHBondContact O-N 3Å; V432-L436 HydrophobicContact CG1-CD1 4.16Å; V432-L436 HydrophobicContact CG1-CG 4.45Å; V432-L436 WeakPolarHBondContact O-CG 3.46Å; V432-L436 PolarHBondContact O-N 2.82Å; V432-L676 HydrophobicContact CG2-CD1 4.26Å; V432-L680 HydrophobicContact CG1-CD1 4.46Å; V432-V681 HydrophobicContact CG1-CG2 4.47Å |
| 433 | V | 96.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 177.1 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | A429 D430 Q435 L436 T437 I465 E469 L680 | A429-V433 WeakPolarHBondContact O-CG2 3.31Å; A429-V433 PolarHBondContact O-N 2.9Å; D430-V433 PolarHBondContact O-N 3.12Å; V433-Q435 VanDerWaalsContact C-N 3.27Å; V433-Q435 PolarHBondContact O-N 3.47Å; V433-L436 PolarHBondContact O-N 3.17Å; V433-T437 PolarHBondContact O-N 3.35Å; V433-T437 PolarHBondContact O-OG1 3.24Å; V433-I465 HydrophobicContact CG1-CG2 3.78Å; V433-E469 HydrophobicContact CG2-CB 3.91Å; V433-E469 HydrophobicContact CG2-CG 3.84Å; V433-L680 HydrophobicContact CG2-CD1 4.05Å |
| 434 | A | 96.1 | Very high | 95.4 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 50% | 0.496 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.6 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D430 T437 E438 | D430-A434 WeakPolarHBondContact O-CB 3.32Å; D430-A434 PolarHBondContact O-N 3.42Å; A434-T437 PolarHBondContact O-N 2.87Å; A434-E438 PolarHBondContact O-N 3.07Å |
| 435 | Q | 94.3 | Very high | 95.3 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 13% | 0.131 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 176 | -89 | -55.8 | -31.1 | 0 | 0 | 113.5 | L362 I363 I366 L431 V432 V433 T437 E438 I439 | L362-Q435 HydrophobicContact CB-CG 4.13Å; L362-Q435 VanDerWaalsContact CD1-NE2 3.28Å; I363-Q435 HydrophobicContact CG1-CB 4.06Å; I366-Q435 HydrophobicContact CD1-CG 3.99Å; L431-Q435 PolarHBondContact O-N 3.27Å; L431-Q435 VanDerWaalsContact O-N 3.12Å; V432-Q435 PolarHBondContact O-N 3Å; V433-Q435 VanDerWaalsContact C-N 3.27Å; V433-Q435 PolarHBondContact O-N 3.47Å; Q435-T437 VanDerWaalsContact C-N 3.34Å; Q435-T437 PolarHBondContact O-N 3.21Å; Q435-E438 PolarHBondContact NE2-OE2 3.04Å; Q435-E438 PolarHBondContact O-N 3.25Å; Q435-E438 PolarHBondContact OE1-OE2 3.22Å; Q435-I439 VanDerWaalsContact O-CG1 3.26Å; Q435-I439 WeakPolarHBondContact O-CG1 3.48Å; Q435-I439 PolarHBondContact O-N 3.05Å |
| 436 | L | 95.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.2 | -72.7 | 173.3 | 0 | 0 | 0 | 111.8 | F341 I345 I363 V432 V433 I439 V440 I465 L680 V681 | F341-L436 HydrophobicContact CZ-CD2 4.24Å; I345-L436 HydrophobicContact CD1-CD2 3.77Å; I363-L436 HydrophobicContact CD1-CD2 4.07Å; I363-L436 HydrophobicContact CD1-CG 4.44Å; V432-L436 HydrophobicContact CG1-CD1 4.16Å; V432-L436 HydrophobicContact CG1-CG 4.45Å; V432-L436 WeakPolarHBondContact O-CG 3.46Å; V432-L436 PolarHBondContact O-N 2.82Å; V433-L436 PolarHBondContact O-N 3.17Å; L436-I439 PolarHBondContact O-N 3.05Å; L436-V440 WeakPolarHBondContact O-CG2 3.22Å; L436-V440 PolarHBondContact O-N 2.99Å; L436-I465 HydrophobicContact CB-CD1 4.22Å; L436-L680 HydrophobicContact CD1-CB 4Å; L436-V681 HydrophobicContact CD1-CG2 4.47Å; L436-V681 HydrophobicContact CD2-CG2 4.48Å |
| 437 | T | 96 | Very high | 94.4 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63 | -40.1 | 176.1 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | V433 A434 Q435 V440 H441 N462 | V433-T437 PolarHBondContact O-N 3.35Å; V433-T437 PolarHBondContact O-OG1 3.24Å; A434-T437 PolarHBondContact O-N 2.87Å; Q435-T437 VanDerWaalsContact C-N 3.34Å; Q435-T437 PolarHBondContact O-N 3.21Å; T437-V440 PolarHBondContact O-N 2.82Å; T437-H441 PolarHBondContact O-N 2.8Å; T437-N462 WeakPolarHBondContact CG2-OD1 3.46Å; T437-N462 PolarHBondContact OG1-OD1 3.38Å |
| 438 | E | 94.2 | Very high | 93.9 | Very high | 114 Ų | 114 | 42.8 Ų | 42.8 | 53% | 0.533 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -43.5 | 175.7 | -173 | 174.4 | -168.8 | 0 | 0 | 111.8 | A434 Q435 H441 A442 | A434-E438 PolarHBondContact O-N 3.07Å; Q435-E438 PolarHBondContact NE2-OE2 3.04Å; Q435-E438 PolarHBondContact O-N 3.25Å; Q435-E438 PolarHBondContact OE1-OE2 3.22Å; E438-H441 PolarHBondContact O-N 2.93Å; E438-A442 PolarHBondContact O-N 3.39Å |
| 439 | I | 93.7 | Very high | 93.3 | Very high | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.1 | -64.5 | 164.9 | 0 | 0 | 0 | 111 | F341 A344 I345 I363 Q435 L436 H441 A442 C443 | F341-I439 HydrophobicContact CD2-CG2 3.76Å; F341-I439 HydrophobicContact CE2-CB 4.42Å; F341-I439 HydrophobicContact CE2-CG2 3.78Å; A344-I439 HydrophobicContact CB-CG2 3.64Å; I345-I439 HydrophobicContact CD1-CD1 3.43Å; I345-I439 VanDerWaalsContact CD1-CD1 3.43Å; I345-I439 HydrophobicContact CG1-CD1 4.42Å; I363-I439 HydrophobicContact CD1-CD1 4.36Å; Q435-I439 VanDerWaalsContact O-CG1 3.26Å; Q435-I439 WeakPolarHBondContact O-CG1 3.48Å; Q435-I439 PolarHBondContact O-N 3.05Å; L436-I439 PolarHBondContact O-N 3.05Å; I439-H441 VanDerWaalsContact C-N 3.34Å; I439-H441 PolarHBondContact O-N 3.18Å; I439-A442 PolarHBondContact O-N 3.18Å; I439-C443 WeakPolarHBondContact O-CB 3.31Å; I439-C443 PolarHBondContact O-N 3.44Å; I439-C443 PolarHBondContact O-SG 3.29Å; I439-C443 VanDerWaalsContact O-SG 3.38Å |
| 440 | V | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | F337 F341 L436 T437 A442 C443 T444 E458 V461 I465 | F337-V440 HydrophobicContact CZ-CG1 4.47Å; F341-V440 HydrophobicContact CD2-CG2 4.26Å; F341-V440 HydrophobicContact CE2-CG2 3.78Å; L436-V440 WeakPolarHBondContact O-CG2 3.22Å; L436-V440 PolarHBondContact O-N 2.99Å; T437-V440 PolarHBondContact O-N 2.82Å; V440-A442 PolarHBondContact O-N 2.99Å; V440-C443 PolarHBondContact O-N 3.42Å; V440-T444 HydrophobicContact CG1-CG2 4.16Å; V440-T444 WeakPolarHBondContact O-CG2 3.44Å; V440-T444 PolarHBondContact O-N 3.18Å; V440-T444 PolarHBondContact O-OG1 2.85Å; V440-E458 HydrophobicContact CG1-CG 4.46Å; V440-V461 HydrophobicContact CB-CG1 4.46Å; V440-V461 HydrophobicContact CG1-CB 4.15Å; V440-V461 HydrophobicContact CG1-CG1 3.97Å; V440-V461 HydrophobicContact CG2-CG1 3.56Å; V440-I465 HydrophobicContact CG2-CD1 3.91Å |
| 441 | H | 94.9 | Very high | 92.6 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 179.7 | -173 | 74.9 | 0 | 0 | 0 | 112.6 | T437 E438 I439 C443 T444 A445 E458 | T437-H441 PolarHBondContact O-N 2.8Å; E438-H441 PolarHBondContact O-N 2.93Å; I439-H441 VanDerWaalsContact C-N 3.34Å; I439-H441 PolarHBondContact O-N 3.18Å; H441-C443 PolarHBondContact O-N 3.05Å; H441-T444 PolarHBondContact O-OG1 3.42Å; H441-A445 PolarHBondContact O-N 3.02Å; H441-A445 VanDerWaalsContact O-N 3.08Å; H441-E458 IonicContact CE1-OE1 3.74Å; H441-E458 IonicContact CG-OE1 3.84Å; H441-E458 IonicContact ND1-OE1 3.38Å; H441-E458 PolarHBondContact ND1-OE1 3.3Å; H441-E458 IonicContact ND1-OE2 3.08Å |
| 442 | A | 92.2 | Very high | 92.3 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 49% | 0.488 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E438 I439 V440 | E438-A442 PolarHBondContact O-N 3.39Å; I439-A442 PolarHBondContact O-N 3.18Å; V440-A442 PolarHBondContact O-N 2.99Å |
| 443 | C | 92.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.5 | -41.8 | 177.7 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | F337 I439 V440 H441 A445 R446 | F337-C443 HydrophobicContact CD2-CB 3.7Å; F337-C443 HydrophobicContact CE2-CB 3.52Å; I439-C443 WeakPolarHBondContact O-CB 3.31Å; I439-C443 PolarHBondContact O-N 3.44Å; I439-C443 PolarHBondContact O-SG 3.29Å; I439-C443 VanDerWaalsContact O-SG 3.38Å; V440-C443 PolarHBondContact O-N 3.42Å; H441-C443 PolarHBondContact O-N 3.05Å; C443-A445 VanDerWaalsContact C-N 3.26Å; C443-A445 PolarHBondContact O-N 3.05Å; C443-R446 PolarHBondContact O-N 2.97Å |
| 444 | T | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.2 | -23.5 | 178.3 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | F337 V440 H441 R446 M447 R454 T457 E458 | F337-T444 HydrophobicContact CD2-CG2 4.11Å; F337-T444 HydrophobicContact CE2-CG2 3.5Å; F337-T444 VanDerWaalsContact CE2-CG2 3.5Å; F337-T444 HydrophobicContact CZ-CG2 3.98Å; V440-T444 HydrophobicContact CG1-CG2 4.16Å; V440-T444 WeakPolarHBondContact O-CG2 3.44Å; V440-T444 PolarHBondContact O-N 3.18Å; V440-T444 PolarHBondContact O-OG1 2.85Å; H441-T444 PolarHBondContact O-OG1 3.42Å; T444-R446 PolarHBondContact O-N 3.25Å; T444-M447 HydrophobicContact CG2-SD 4.4Å; T444-M447 VanDerWaalsContact O-CB 3.3Å; T444-M447 WeakPolarHBondContact O-CB 3.48Å; T444-M447 PolarHBondContact O-N 3.28Å; T444-R454 WeakPolarHBondContact O-CD 3.46Å; T444-R454 WeakPolarHBondContact O-CG 3.49Å; T444-T457 HydrophobicContact CG2-CG2 4.14Å; T444-E458 HydrophobicContact CG2-CB 4.13Å; T444-E458 PolarHBondContact OG1-OE2 3.21Å; T444-E458 VanDerWaalsContact OG1-OE2 3.1Å |
| 445 | A | 91.7 | Very high | 91.8 | Very high | 37 Ų | 37 | 54.9 Ų | 54.9 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -57.2 | -29.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H441 C443 M447 E448 | H441-A445 PolarHBondContact O-N 3.02Å; H441-A445 VanDerWaalsContact O-N 3.08Å; C443-A445 VanDerWaalsContact C-N 3.26Å; C443-A445 PolarHBondContact O-N 3.05Å; A445-M447 PolarHBondContact O-N 3.28Å; A445-E448 PolarHBondContact O-N 3.25Å |
| 446 | R | 86 | Confident | 91.8 | Very high | 157 Ų | 157 | 56.3 Ų | 56.3 | 59% | 0.592 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -71.6 | -8.9 | 174.8 | -62.7 | -163.6 | -114.3 | -113.8 | -4.6 | 114 | D340 C443 T444 E448 | D340-R446 WeakPolarHBondContact OD2-CD 3.3Å; D340-R446 IonicContact OD2-CZ 2.81Å; D340-R446 IonicContact OD2-NE 2.76Å; D340-R446 PolarHBondContact OD2-NE 3.48Å; D340-R446 IonicContact OD2-NH2 3.87Å; C443-R446 PolarHBondContact O-N 2.97Å; T444-R446 PolarHBondContact O-N 3.25Å; R446-E448 VanDerWaalsContact C-N 3.28Å; R446-E448 PolarHBondContact O-N 3.47Å |
| 447 | M | 89.1 | Confident | 91.8 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -91.2 | 21.1 | 177.3 | -53.1 | 173 | 77.6 | 0 | 0 | 112.4 | T333 F337 T444 A445 N449 F450 L453 R454 T457 | T333-M447 HydrophobicContact CG2-CB 4.29Å; T333-M447 HydrophobicContact CG2-CE 3.52Å; T333-M447 HydrophobicContact CG2-CG 3.88Å; T333-M447 HydrophobicContact CG2-SD 4.49Å; F337-M447 HydrophobicContact CB-SD 4.14Å; F337-M447 HydrophobicContact CD2-SD 4.26Å; F337-M447 HydrophobicContact CG-SD 4.23Å; T444-M447 HydrophobicContact CG2-SD 4.4Å; T444-M447 VanDerWaalsContact O-CB 3.3Å; T444-M447 WeakPolarHBondContact O-CB 3.48Å; T444-M447 PolarHBondContact O-N 3.28Å; A445-M447 PolarHBondContact O-N 3.28Å; M447-N449 PolarHBondContact O-N 3.42Å; M447-F450 CarbonylContact O-C 3.57Å; M447-F450 PolarHBondContact O-N 2.92Å; M447-L453 HydrophobicContact CE-CD1 4.27Å; M447-L453 HydrophobicContact CE-CD2 3.63Å; M447-L453 HydrophobicContact CE-CG 3.56Å; M447-R454 HydrophobicContact CB-CB 4.1Å; M447-T457 HydrophobicContact CE-CG2 4.4Å; M447-T457 HydrophobicContact SD-CG2 4.2Å |
| 448 | E | 85 | Confident | 91.8 | Very high | 131 Ų | 131 | 55.6 Ų | 55.6 | 61% | 0.612 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.3 | -175.4 | 64.4 | 174.9 | -173.6 | 0 | 0 | 115 | A445 R446 F450 | A445-E448 PolarHBondContact O-N 3.25Å; R446-E448 VanDerWaalsContact C-N 3.28Å; R446-E448 PolarHBondContact O-N 3.47Å; E448-F450 PolarHBondContact O-N 3.32Å |
| 449 | N | 83.7 | Confident | 91.8 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.4 | 176.8 | -67.3 | -29.7 | 0 | 0 | 0 | 112.7 | M447 E708 S709 V712 | M447-N449 PolarHBondContact O-N 3.42Å; N449-E708 WeakPolarHBondContact O-CA 3.47Å; N449-S709 PolarHBondContact O-N 2.8Å; N449-V712 WeakPolarHBondContact OD1-CG2 3.41Å |
| 450 | F | 88.8 | Confident | 92 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -128 | 80.6 | -178.8 | -55.6 | -66.2 | 0 | 0 | 0 | 109.9 | A329 M447 E448 R452 L453 R454 M706 E708 | A329-F450 HydrophobicContact CB-CZ 4.49Å; M447-F450 CarbonylContact O-C 3.57Å; M447-F450 PolarHBondContact O-N 2.92Å; E448-F450 PolarHBondContact O-N 3.32Å; F450-R452 VanDerWaalsContact C-N 3.31Å; F450-R452 PolarHBondContact O-N 3.21Å; F450-L453 HydrophobicContact CB-CB 3.68Å; F450-L453 HydrophobicContact CB-CD2 4.16Å; F450-L453 HydrophobicContact CD2-CD2 4.3Å; F450-L453 WeakPolarHBondContact O-CB 3.39Å; F450-L453 PolarHBondContact O-N 2.84Å; F450-L453 VanDerWaalsContact O-N 3.08Å; F450-R454 PolarHBondContact O-N 2.98Å; F450-M706 HydrophobicContact CD1-CE 4.05Å; F450-M706 HydrophobicContact CD2-CE 4.04Å; F450-M706 HydrophobicContact CE1-CE 3.8Å; F450-M706 HydrophobicContact CE2-CE 3.79Å; F450-M706 HydrophobicContact CG-CE 4.17Å; F450-M706 HydrophobicContact CZ-CE 3.67Å; F450-E708 HydrophobicContact CE1-CG 4.11Å |
| 451 | P | 90 | Very high | 92 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 29% | 0.292 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.4 | -40.7 | -172.4 | -26.7 | 34.6 | 0 | 0 | 0 | 113.8 | R454 E455 | P451-R454 WeakPolarHBondContact O-CB 3.33Å; P451-R454 PolarHBondContact O-N 3.4Å; P451-E455 WeakPolarHBondContact O-CG 3.15Å; P451-E455 PolarHBondContact O-N 3.49Å |
| 452 | R | 90.5 | Very high | 92.1 | Very high | 130 Ų | 130 | 52.8 Ų | 52.8 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 177.8 | -69.1 | -171.7 | 177.3 | 177.8 | 3.3 | 112.4 | F450 R454 E455 E456 S704 S707 | F450-R452 VanDerWaalsContact C-N 3.31Å; F450-R452 PolarHBondContact O-N 3.21Å; R452-R454 VanDerWaalsContact C-N 3.32Å; R452-E455 PolarHBondContact O-N 2.96Å; R452-E456 PolarHBondContact O-N 3.07Å; R452-S704 VanDerWaalsContact CD-O 3.24Å; R452-S704 WeakPolarHBondContact CD-O 3.24Å; R452-S704 PolarHBondContact NH1-OG 3.48Å; R452-S707 WeakPolarHBondContact CD-OG 2.92Å |
| 453 | L | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 173.7 | 176.5 | 62.4 | 0 | 0 | 0 | 111.3 | L330 T333 M447 F450 T457 L696 L705 M706 | L330-L453 HydrophobicContact CD1-CD1 3.47Å; L330-L453 VanDerWaalsContact CD1-CD1 3.47Å; L330-L453 HydrophobicContact CD1-CD2 4Å; L330-L453 HydrophobicContact CD1-CG 4.4Å; T333-L453 HydrophobicContact CG2-CD2 3.9Å; M447-L453 HydrophobicContact CE-CD1 4.27Å; M447-L453 HydrophobicContact CE-CD2 3.63Å; M447-L453 HydrophobicContact CE-CG 3.56Å; F450-L453 HydrophobicContact CB-CB 3.68Å; F450-L453 HydrophobicContact CB-CD2 4.16Å; F450-L453 HydrophobicContact CD2-CD2 4.3Å; F450-L453 WeakPolarHBondContact O-CB 3.39Å; F450-L453 PolarHBondContact O-N 2.84Å; F450-L453 VanDerWaalsContact O-N 3.08Å; L453-T457 VanDerWaalsContact O-CB 3.25Å; L453-T457 WeakPolarHBondContact O-CB 3.34Å; L453-T457 PolarHBondContact O-N 3.18Å; L453-T457 PolarHBondContact O-OG1 2.79Å; L453-L696 HydrophobicContact CD1-CD1 4.06Å; L453-L696 HydrophobicContact CD1-CD2 4.03Å; L453-L705 HydrophobicContact CB-CD1 4.29Å; L453-L705 HydrophobicContact CB-CG 4.02Å; L453-L705 HydrophobicContact CD1-CD1 4.14Å; L453-L705 HydrophobicContact CD1-CD2 3.64Å; L453-L705 HydrophobicContact CD1-CG 3.73Å; L453-L705 HydrophobicContact CG-CG 4.47Å; L453-L705 PolarHBondContact N-O 3.04Å; L453-M706 HydrophobicContact CD2-SD 3.95Å |
| 454 | R | 93.9 | Very high | 92.5 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 25% | 0.253 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -53.4 | 175.5 | 174.5 | -177 | 171.9 | -177.1 | 1.1 | 111.1 | T444 M447 F450 P451 R452 E456 T457 E458 | T444-R454 WeakPolarHBondContact O-CD 3.46Å; T444-R454 WeakPolarHBondContact O-CG 3.49Å; M447-R454 HydrophobicContact CB-CB 4.1Å; F450-R454 PolarHBondContact O-N 2.98Å; P451-R454 WeakPolarHBondContact O-CB 3.33Å; P451-R454 PolarHBondContact O-N 3.4Å; R452-R454 VanDerWaalsContact C-N 3.32Å; R454-E456 PolarHBondContact O-N 3Å; R454-T457 PolarHBondContact O-N 3.23Å; R454-E458 WeakPolarHBondContact O-CB 3.36Å; R454-E458 PolarHBondContact O-N 3.4Å |
| 455 | E | 93 | Very high | 92.6 | Very high | 128 Ų | 128 | 55.4 Ų | 55.4 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.5 | -47 | -178.9 | -74.1 | 172.6 | -174.1 | 0 | 0 | 111.9 | P451 R452 E458 R459 | P451-E455 WeakPolarHBondContact O-CG 3.15Å; P451-E455 PolarHBondContact O-N 3.49Å; R452-E455 PolarHBondContact O-N 2.96Å; E455-E458 PolarHBondContact O-N 3.37Å; E455-R459 VanDerWaalsContact O-CB 3.28Å; E455-R459 WeakPolarHBondContact O-CB 3.19Å; E455-R459 PolarHBondContact O-N 3.29Å |
| 456 | E | 93.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 62 Ų | 62 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 179.7 | -73.6 | -57.7 | 157.2 | 0 | 0 | 112.9 | R452 R454 R459 I460 L696 L705 | R452-E456 PolarHBondContact O-N 3.07Å; R454-E456 PolarHBondContact O-N 3Å; E456-R459 PolarHBondContact O-N 3.5Å; E456-R459 IonicContact OE1-NE 3.56Å; E456-R459 IonicContact OE2-CZ 2.69Å; E456-R459 IonicContact OE2-NE 2.68Å; E456-R459 PolarHBondContact OE2-NE 3.01Å; E456-R459 IonicContact OE2-NH2 3.5Å; E456-R459 PolarHBondContact OE2-NH2 3.47Å; E456-I460 WeakPolarHBondContact O-CB 3.34Å; E456-I460 WeakPolarHBondContact O-CD1 3.28Å; E456-I460 WeakPolarHBondContact O-CG1 3.5Å; E456-I460 PolarHBondContact O-N 3.47Å; E456-L696 HydrophobicContact CB-CD2 4.2Å; E456-L705 HydrophobicContact CB-CD1 3.86Å; E456-L705 HydrophobicContact CG-CD1 3.88Å |
| 457 | T | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | F337 T444 M447 L453 R454 R459 I460 V461 L692 | F337-T457 HydrophobicContact CD1-CG2 3.99Å; F337-T457 HydrophobicContact CE1-CG2 3.75Å; F337-T457 HydrophobicContact CZ-CG2 4.12Å; T444-T457 HydrophobicContact CG2-CG2 4.14Å; M447-T457 HydrophobicContact CE-CG2 4.4Å; M447-T457 HydrophobicContact SD-CG2 4.2Å; L453-T457 VanDerWaalsContact O-CB 3.25Å; L453-T457 WeakPolarHBondContact O-CB 3.34Å; L453-T457 PolarHBondContact O-N 3.18Å; L453-T457 PolarHBondContact O-OG1 2.79Å; R454-T457 PolarHBondContact O-N 3.23Å; T457-R459 VanDerWaalsContact C-N 3.34Å; T457-R459 PolarHBondContact O-N 3.27Å; T457-I460 PolarHBondContact O-N 3.43Å; T457-V461 HydrophobicContact CG2-CG2 4.46Å; T457-V461 WeakPolarHBondContact O-CB 3.41Å; T457-V461 VanDerWaalsContact O-CG2 3.26Å; T457-V461 WeakPolarHBondContact O-CG2 3.25Å; T457-V461 PolarHBondContact O-N 3Å; T457-L692 HydrophobicContact CG2-CD1 4.33Å; T457-L692 HydrophobicContact CG2-CD2 4.18Å |
| 458 | E | 95.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 179.1 | -171.6 | 166.2 | 169.9 | 0 | 0 | 111.7 | V440 H441 T444 R454 E455 N462 | V440-E458 HydrophobicContact CG1-CG 4.46Å; H441-E458 IonicContact CE1-OE1 3.74Å; H441-E458 IonicContact CG-OE1 3.84Å; H441-E458 IonicContact ND1-OE1 3.38Å; H441-E458 PolarHBondContact ND1-OE1 3.3Å; H441-E458 IonicContact ND1-OE2 3.08Å; T444-E458 HydrophobicContact CG2-CB 4.13Å; T444-E458 PolarHBondContact OG1-OE2 3.21Å; T444-E458 VanDerWaalsContact OG1-OE2 3.1Å; R454-E458 WeakPolarHBondContact O-CB 3.36Å; R454-E458 PolarHBondContact O-N 3.4Å; E455-E458 PolarHBondContact O-N 3.37Å; E458-N462 WeakPolarHBondContact CG-ND2 3.48Å; E458-N462 VanDerWaalsContact O-CB 3.23Å; E458-N462 WeakPolarHBondContact O-CB 3.31Å; E458-N462 PolarHBondContact O-N 3.24Å; E458-N462 PolarHBondContact O-ND2 3.42Å |
| 459 | R | 95.9 | Very high | 94.2 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 42% | 0.423 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.6 | -50.4 | 176.3 | -172 | -169.7 | 64.9 | 70.2 | 1.9 | 111.8 | E455 E456 T457 Q463 | E455-R459 VanDerWaalsContact O-CB 3.28Å; E455-R459 WeakPolarHBondContact O-CB 3.19Å; E455-R459 PolarHBondContact O-N 3.29Å; E456-R459 PolarHBondContact O-N 3.5Å; E456-R459 IonicContact OE1-NE 3.56Å; E456-R459 IonicContact OE2-CZ 2.69Å; E456-R459 IonicContact OE2-NE 2.68Å; E456-R459 PolarHBondContact OE2-NE 3.01Å; E456-R459 IonicContact OE2-NH2 3.5Å; E456-R459 PolarHBondContact OE2-NH2 3.47Å; T457-R459 VanDerWaalsContact C-N 3.34Å; T457-R459 PolarHBondContact O-N 3.27Å; R459-Q463 VanDerWaalsContact O-CB 3.31Å; R459-Q463 WeakPolarHBondContact O-CB 3.36Å; R459-Q463 PolarHBondContact O-N 3.11Å |
| 460 | I | 96.2 | Very high | 94.8 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | -178.4 | -71.7 | 166.3 | 0 | 0 | 0 | 110.6 | E456 T457 Q463 W464 F687 L692 N695 L696 A699 | E456-I460 WeakPolarHBondContact O-CB 3.34Å; E456-I460 WeakPolarHBondContact O-CD1 3.28Å; E456-I460 WeakPolarHBondContact O-CG1 3.5Å; E456-I460 PolarHBondContact O-N 3.47Å; T457-I460 PolarHBondContact O-N 3.43Å; I460-Q463 PolarHBondContact O-N 3.39Å; I460-W464 PolarHBondContact O-N 3.29Å; I460-F687 HydrophobicContact CG2-CE1 4.2Å; I460-F687 HydrophobicContact CG2-CZ 3.72Å; I460-L692 HydrophobicContact CG2-CD1 4.03Å; I460-N695 HydrophobicContact CD1-CB 4.2Å; I460-N695 HydrophobicContact CG2-CB 4.18Å; I460-L696 HydrophobicContact CD1-CD2 3.8Å; I460-L696 HydrophobicContact CD1-CG 4.23Å; I460-A699 HydrophobicContact CD1-CB 4.14Å |
| 461 | V | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -42.7 | -177.9 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | F337 V440 T457 Q463 W464 I465 I684 F687 L688 L692 | F337-V461 HydrophobicContact CE1-CG2 4.2Å; F337-V461 HydrophobicContact CZ-CG2 4.36Å; V440-V461 HydrophobicContact CB-CG1 4.46Å; V440-V461 HydrophobicContact CG1-CB 4.15Å; V440-V461 HydrophobicContact CG1-CG1 3.97Å; V440-V461 HydrophobicContact CG2-CG1 3.56Å; T457-V461 HydrophobicContact CG2-CG2 4.46Å; T457-V461 WeakPolarHBondContact O-CB 3.41Å; T457-V461 VanDerWaalsContact O-CG2 3.26Å; T457-V461 WeakPolarHBondContact O-CG2 3.25Å; T457-V461 PolarHBondContact O-N 3Å; V461-Q463 PolarHBondContact O-N 3.4Å; V461-W464 WeakPolarHBondContact O-CB 3.38Å; V461-W464 PolarHBondContact O-N 2.77Å; V461-I465 HydrophobicContact CG1-CD1 4.16Å; V461-I465 WeakPolarHBondContact O-CG1 3.47Å; V461-I465 PolarHBondContact O-N 2.96Å; V461-I684 HydrophobicContact CG1-CD1 3.9Å; V461-F687 HydrophobicContact CG2-CE1 4.24Å; V461-L688 HydrophobicContact CG1-CD2 4.42Å; V461-L688 HydrophobicContact CG2-CD2 3.78Å; V461-L692 HydrophobicContact CG2-CD1 4.09Å |
| 462 | N | 96.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 177.5 | -80.1 | -46.3 | 0 | 0 | 0 | 113 | T437 E458 W464 I465 R466 | T437-N462 WeakPolarHBondContact CG2-OD1 3.46Å; T437-N462 PolarHBondContact OG1-OD1 3.38Å; E458-N462 WeakPolarHBondContact CG-ND2 3.48Å; E458-N462 VanDerWaalsContact O-CB 3.23Å; E458-N462 WeakPolarHBondContact O-CB 3.31Å; E458-N462 PolarHBondContact O-N 3.24Å; E458-N462 PolarHBondContact O-ND2 3.42Å; N462-W464 VanDerWaalsContact C-N 3.35Å; N462-I465 PolarHBondContact O-N 3.38Å; N462-R466 WeakPolarHBondContact O-CG 3.43Å; N462-R466 PolarHBondContact O-N 2.93Å; N462-R466 VanDerWaalsContact O-N 3.12Å |
| 463 | Q | 96.2 | Very high | 95.8 | Very high | 91 Ų | 91 | 59.3 Ų | 59.3 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 172.1 | -179.8 | 177.7 | -12.8 | 0 | 0 | 110.6 | R459 I460 V461 I465 R466 E467 | R459-Q463 VanDerWaalsContact O-CB 3.31Å; R459-Q463 WeakPolarHBondContact O-CB 3.36Å; R459-Q463 PolarHBondContact O-N 3.11Å; I460-Q463 PolarHBondContact O-N 3.39Å; V461-Q463 PolarHBondContact O-N 3.4Å; Q463-I465 VanDerWaalsContact C-N 3.34Å; Q463-I465 PolarHBondContact O-N 3.33Å; Q463-R466 PolarHBondContact O-N 3.09Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.06Å; Q463-E467 PolarHBondContact NE2-OE1 2.8Å; Q463-E467 WeakPolarHBondContact O-CG 3.23Å; Q463-E467 PolarHBondContact O-N 3.4Å |
| 464 | W | 96.5 | Very high | 96 | Very high | 26 Ų | 26 | 64.3 Ų | 64.3 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 176.8 | -175.5 | 97.5 | 0 | 0 | 0 | 112.1 | I460 V461 N462 R466 E467 R468 E683 I684 F687 | I460-W464 PolarHBondContact O-N 3.29Å; V461-W464 WeakPolarHBondContact O-CB 3.38Å; V461-W464 PolarHBondContact O-N 2.77Å; N462-W464 VanDerWaalsContact C-N 3.35Å; W464-R466 PolarHBondContact O-N 3.44Å; W464-E467 PolarHBondContact O-N 2.91Å; W464-R468 HydrophobicContact CD2-CG 3.89Å; W464-R468 HydrophobicContact CE3-CG 3.94Å; W464-R468 HydrophobicContact CH2-CB 4.32Å; W464-R468 HydrophobicContact CH2-CG 3.62Å; W464-R468 HydrophobicContact CZ2-CG 3.63Å; W464-R468 HydrophobicContact CZ3-CB 4.19Å; W464-R468 HydrophobicContact CZ3-CG 3.77Å; W464-R468 VanDerWaalsContact O-CG 3.29Å; W464-R468 WeakPolarHBondContact O-CG 3.39Å; W464-R468 PolarHBondContact O-N 3.25Å; W464-E683 VanDerWaalsContact CH2-C 3.45Å; W464-E683 HydrophobicContact CH2-CB 3.62Å; W464-E683 HydrophobicContact CZ2-CB 3.82Å; W464-I684 HydrophobicContact CE3-CB 4.12Å; W464-I684 HydrophobicContact CE3-CD1 4.2Å; W464-I684 HydrophobicContact CE3-CG1 3.96Å; W464-I684 HydrophobicContact CH2-CB 3.73Å; W464-I684 HydrophobicContact CH2-CG1 4.42Å; W464-I684 HydrophobicContact CZ3-CB 3.4Å; W464-I684 VanDerWaalsContact CZ3-CB 3.4Å; W464-I684 HydrophobicContact CZ3-CD1 4.14Å; W464-I684 HydrophobicContact CZ3-CG1 3.77Å; W464-F687 HydrophobicContact CB-CD1 4.46Å; W464-F687 HydrophobicContact CB-CE1 4.09Å; W464-F687 HydrophobicContact CB-CZ 4.13Å; W464-F687 AromaticContact CD1-CD2 3.33Å; W464-F687 AromaticContact CD1-CE2 3.43Å; W464-F687 VanDerWaalsContact CD1-CE2 3.43Å; W464-F687 AromaticContact CD1-CG 3.67Å; W464-F687 AromaticContact CD1-CZ 3.86Å; W464-F687 HydrophobicContact CD2-CB 4.37Å; W464-F687 HydrophobicContact CD2-CD1 4.19Å; W464-F687 HydrophobicContact CD2-CG 4.1Å; W464-F687 AromaticContact CE2-CG 3.85Å; W464-F687 AromaticContact CG-CD1 4Å; W464-F687 HydrophobicContact CG-CD1 4Å; W464-F687 HydrophobicContact CG-CD2 4.06Å; W464-F687 HydrophobicContact CG-CE1 4.04Å; W464-F687 HydrophobicContact CG-CE2 4.11Å; W464-F687 HydrophobicContact CG-CG 4Å; W464-F687 HydrophobicContact CG-CZ 4.1Å; W464-F687 HydrophobicContact CZ2-CB 4Å; W464-F687 AromaticContact NE1-CD2 3.32Å; W464-F687 VanDerWaalsContact NE1-CD2 3.32Å; W464-F687 AromaticContact NE1-CE2 3.94Å; W464-F687 AromaticContact NE1-CG 3.52Å |
| 465 | I | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 177.1 | -71.7 | 168.7 | 0 | 0 | 0 | 110.8 | V433 L436 V440 V461 N462 Q463 R468 E469 I684 | V433-I465 HydrophobicContact CG1-CG2 3.78Å; L436-I465 HydrophobicContact CB-CD1 4.22Å; V440-I465 HydrophobicContact CG2-CD1 3.91Å; V461-I465 HydrophobicContact CG1-CD1 4.16Å; V461-I465 WeakPolarHBondContact O-CG1 3.47Å; V461-I465 PolarHBondContact O-N 2.96Å; N462-I465 PolarHBondContact O-N 3.38Å; Q463-I465 VanDerWaalsContact C-N 3.34Å; Q463-I465 PolarHBondContact O-N 3.33Å; I465-R468 PolarHBondContact O-N 3.49Å; I465-E469 WeakPolarHBondContact O-CB 3.27Å; I465-E469 PolarHBondContact O-N 3.28Å; I465-I684 HydrophobicContact CD1-CD1 3.75Å; I465-I684 HydrophobicContact CG1-CD1 3.65Å |
| 466 | R | 96.3 | Very high | 96.3 | Very high | 175 Ų | 175 | 58.4 Ų | 58.4 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 179.7 | -71.4 | 178 | -176.7 | 179.6 | 2.3 | 112.7 | N462 Q463 W464 R468 E469 I470 | N462-R466 WeakPolarHBondContact O-CG 3.43Å; N462-R466 PolarHBondContact O-N 2.93Å; N462-R466 VanDerWaalsContact O-N 3.12Å; Q463-R466 PolarHBondContact O-N 3.09Å; W464-R466 PolarHBondContact O-N 3.44Å; R466-R468 VanDerWaalsContact C-N 3.29Å; R466-R468 PolarHBondContact O-N 3.16Å; R466-E469 WeakPolarHBondContact O-CB 3.46Å; R466-E469 PolarHBondContact O-N 3.16Å; R466-I470 WeakPolarHBondContact O-CG1 3.42Å; R466-I470 PolarHBondContact O-N 2.97Å |
| 467 | E | 96.1 | Very high | 96.5 | Very high | 93 Ų | 93 | 57.7 Ų | 57.7 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 177.3 | -72.4 | 175.6 | -165 | 0 | 0 | 111.7 | Q463 W464 | Q463-E467 WeakPolarHBondContact CG-OE1 3.06Å; Q463-E467 PolarHBondContact NE2-OE1 2.8Å; Q463-E467 WeakPolarHBondContact O-CG 3.23Å; Q463-E467 PolarHBondContact O-N 3.4Å; W464-E467 PolarHBondContact O-N 2.91Å |
| 468 | R | 96.3 | Very high | 96.6 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -77.5 | -33.6 | 178 | -66.2 | -74 | 177.6 | 172 | -1.2 | 113 | W464 I465 R466 I470 R471 A472 L680 E683 | W464-R468 HydrophobicContact CD2-CG 3.89Å; W464-R468 HydrophobicContact CE3-CG 3.94Å; W464-R468 HydrophobicContact CH2-CB 4.32Å; W464-R468 HydrophobicContact CH2-CG 3.62Å; W464-R468 HydrophobicContact CZ2-CG 3.63Å; W464-R468 HydrophobicContact CZ3-CB 4.19Å; W464-R468 HydrophobicContact CZ3-CG 3.77Å; W464-R468 VanDerWaalsContact O-CG 3.29Å; W464-R468 WeakPolarHBondContact O-CG 3.39Å; W464-R468 PolarHBondContact O-N 3.25Å; I465-R468 PolarHBondContact O-N 3.49Å; R466-R468 VanDerWaalsContact C-N 3.29Å; R466-R468 PolarHBondContact O-N 3.16Å; R468-I470 VanDerWaalsContact C-N 3.35Å; R468-I470 PolarHBondContact O-N 3.45Å; R468-R471 PolarHBondContact O-N 2.95Å; R468-A472 WeakPolarHBondContact O-CB 3.49Å; R468-A472 PolarHBondContact O-N 3.18Å; R468-L680 HydrophobicContact CB-CD2 3.59Å; R468-E683 VanDerWaalsContact CD-OE2 3.3Å; R468-E683 WeakPolarHBondContact CD-OE2 3.47Å; R468-E683 IonicContact CZ-OE2 2.82Å; R468-E683 IonicContact NE-OE2 3.51Å; R468-E683 PolarHBondContact NE-OE2 2.89Å; R468-E683 VanDerWaalsContact NH1-CD 3.34Å; R468-E683 IonicContact NH1-OE1 2.8Å; R468-E683 PolarHBondContact NH1-OE1 2.84Å; R468-E683 IonicContact NH1-OE2 3.19Å; R468-E683 PolarHBondContact NH1-OE2 3.31Å; R468-E683 IonicContact NH2-OE2 2.8Å |
| 469 | E | 96.2 | Very high | 96.6 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.9 | -49.9 | 172.7 | 173.4 | -172 | 176.6 | 0 | 0 | 111 | V433 I465 R466 R471 A472 R473 | V433-E469 HydrophobicContact CG2-CB 3.91Å; V433-E469 HydrophobicContact CG2-CG 3.84Å; I465-E469 WeakPolarHBondContact O-CB 3.27Å; I465-E469 PolarHBondContact O-N 3.28Å; R466-E469 WeakPolarHBondContact O-CB 3.46Å; R466-E469 PolarHBondContact O-N 3.16Å; E469-R471 VanDerWaalsContact C-N 3.3Å; E469-R471 PolarHBondContact O-N 2.8Å; E469-A472 PolarHBondContact O-N 3.38Å; E469-A472 VanDerWaalsContact O-N 3.12Å; E469-R473 HydrophobicContact CG-CG 4.27Å; E469-R473 VanDerWaalsContact O-CG 3.28Å; E469-R473 WeakPolarHBondContact O-CG 3.37Å; E469-R473 PolarHBondContact O-N 3.39Å |
| 470 | I | 96.7 | Very high | 96.6 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 53% | 0.528 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -55.6 | -48.1 | -179.6 | -65.2 | 166.7 | 0 | 0 | 0 | 110.3 | R466 R468 A472 R473 D474 | R466-I470 WeakPolarHBondContact O-CG1 3.42Å; R466-I470 PolarHBondContact O-N 2.97Å; R468-I470 VanDerWaalsContact C-N 3.35Å; R468-I470 PolarHBondContact O-N 3.45Å; I470-A472 PolarHBondContact O-N 3.02Å; I470-R473 PolarHBondContact O-N 2.94Å; I470-D474 PolarHBondContact O-N 3.1Å; I470-D474 VanDerWaalsContact O-N 3.07Å |
| 471 | R | 96.3 | Very high | 96.6 | Very high | 136 Ų | 136 | 57.7 Ų | 57.7 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.4 | -61.6 | -176.9 | -171.1 | -173.5 | 1.9 | 112.5 | R468 E469 R473 D474 Q475 M679 | R468-R471 PolarHBondContact O-N 2.95Å; E469-R471 VanDerWaalsContact C-N 3.3Å; E469-R471 PolarHBondContact O-N 2.8Å; R471-R473 VanDerWaalsContact C-N 3.35Å; R471-D474 PolarHBondContact O-N 3.14Å; R471-Q475 WeakPolarHBondContact O-CB 3.36Å; R471-Q475 PolarHBondContact O-N 3.48Å; R471-Q475 VanDerWaalsContact O-N 3.12Å; R471-M679 HydrophobicContact CB-CE 3.93Å |
| 472 | A | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R468 E469 I470 Q475 I476 L676 M679 L680 | R468-A472 WeakPolarHBondContact O-CB 3.49Å; R468-A472 PolarHBondContact O-N 3.18Å; E469-A472 PolarHBondContact O-N 3.38Å; E469-A472 VanDerWaalsContact O-N 3.12Å; I470-A472 PolarHBondContact O-N 3.02Å; A472-Q475 PolarHBondContact O-N 2.8Å; A472-I476 VanDerWaalsContact O-CG1 3.32Å; A472-I476 WeakPolarHBondContact O-CG1 3.29Å; A472-I476 PolarHBondContact O-N 3.47Å; A472-L676 HydrophobicContact CB-CD2 4.24Å; A472-M679 HydrophobicContact CB-CB 4.33Å; A472-M679 HydrophobicContact CB-SD 4.42Å; A472-L680 HydrophobicContact CB-CD1 4.34Å; A472-L680 HydrophobicContact CB-CG 4.3Å |
| 473 | R | 97.3 | Very high | 96.5 | Very high | 73 Ų | 73 | 62 Ų | 62 | 28% | 0.275 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 176 | -69.6 | 171.4 | 69.8 | 91.2 | 3.9 | 111.7 | L426 D430 E469 I470 R471 Q475 I476 V477 | L426-R473 HydrophobicContact CD2-CB 3.8Å; L426-R473 HydrophobicContact CD2-CG 3.94Å; D430-R473 IonicContact OD1-CZ 2.7Å; D430-R473 IonicContact OD1-NH1 3.81Å; D430-R473 PolarHBondContact OD1-NH1 2.82Å; D430-R473 IonicContact OD2-NH1 2.93Å; E469-R473 HydrophobicContact CG-CG 4.27Å; E469-R473 VanDerWaalsContact O-CG 3.28Å; E469-R473 WeakPolarHBondContact O-CG 3.37Å; E469-R473 PolarHBondContact O-N 3.39Å; I470-R473 PolarHBondContact O-N 2.94Å; R471-R473 VanDerWaalsContact C-N 3.35Å; R473-Q475 VanDerWaalsContact C-N 3.25Å; R473-Q475 PolarHBondContact O-N 3.3Å; R473-I476 WeakPolarHBondContact O-CB 3.45Å; R473-I476 PolarHBondContact O-N 2.88Å; R473-I476 VanDerWaalsContact O-N 3.17Å; R473-V477 WeakPolarHBondContact O-CG2 3.28Å; R473-V477 PolarHBondContact O-N 3.47Å |
| 474 | D | 97 | Very high | 96.4 | Very high | 105 Ų | 105 | 58.9 Ų | 58.9 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.4 | -41.2 | 176.5 | -68.4 | -19.5 | 0 | 0 | 0 | 111.1 | I470 R471 V477 L478 | I470-D474 PolarHBondContact O-N 3.1Å; I470-D474 VanDerWaalsContact O-N 3.07Å; R471-D474 PolarHBondContact O-N 3.14Å; D474-V477 PolarHBondContact O-N 3.47Å; D474-L478 WeakPolarHBondContact O-CB 3.34Å; D474-L478 PolarHBondContact O-N 3.48Å |
| 475 | Q | 97 | Very high | 96.3 | Very high | 71 Ų | 71 | 61.8 Ų | 61.8 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.8 | -30.4 | 179.1 | -168.2 | 55.2 | 50.3 | 0 | 0 | 113.3 | R471 A472 R473 L479 L675 M679 | R471-Q475 WeakPolarHBondContact O-CB 3.36Å; R471-Q475 PolarHBondContact O-N 3.48Å; R471-Q475 VanDerWaalsContact O-N 3.12Å; A472-Q475 PolarHBondContact O-N 2.8Å; R473-Q475 VanDerWaalsContact C-N 3.25Å; R473-Q475 PolarHBondContact O-N 3.3Å; Q475-L479 WeakPolarHBondContact O-CB 3.5Å; Q475-L479 PolarHBondContact O-N 3.29Å; Q475-L675 HydrophobicContact CB-CD1 4.34Å; Q475-L675 HydrophobicContact CB-CD2 3.95Å; Q475-L675 HydrophobicContact CG-CD1 3.49Å; Q475-L675 VanDerWaalsContact CG-CD1 3.49Å; Q475-L675 HydrophobicContact CG-CD2 3.77Å; Q475-L675 HydrophobicContact CG-CG 4.18Å; Q475-M679 HydrophobicContact CB-CE 4.25Å; Q475-M679 HydrophobicContact CB-SD 3.87Å; Q475-M679 HydrophobicContact CG-SD 3.96Å |
| 476 | I | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 170.2 | -72.8 | 170.3 | 0 | 0 | 0 | 110.8 | L426 A429 A472 R473 L479 V480 V672 L675 L676 | L426-I476 HydrophobicContact CD2-CB 4.43Å; L426-I476 HydrophobicContact CD2-CG2 4.22Å; L426-I476 HydrophobicContact CG-CG2 4.47Å; A429-I476 HydrophobicContact CB-CD1 3.83Å; A472-I476 VanDerWaalsContact O-CG1 3.32Å; A472-I476 WeakPolarHBondContact O-CG1 3.29Å; A472-I476 PolarHBondContact O-N 3.47Å; R473-I476 WeakPolarHBondContact O-CB 3.45Å; R473-I476 PolarHBondContact O-N 2.88Å; R473-I476 VanDerWaalsContact O-N 3.17Å; I476-L479 WeakPolarHBondContact O-CB 3.41Å; I476-L479 PolarHBondContact O-N 3.4Å; I476-V480 PolarHBondContact O-N 2.84Å; I476-V672 HydrophobicContact CD1-CG1 4.4Å; I476-L675 HydrophobicContact CB-CD2 4.46Å; I476-L675 HydrophobicContact CG1-CD2 3.58Å; I476-L676 HydrophobicContact CD1-CD1 4.48Å; I476-L676 HydrophobicContact CD1-CD2 4.01Å; I476-L676 HydrophobicContact CD1-CG 4.29Å |
| 477 | V | 97.2 | Very high | 95.9 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | L426 R473 D474 L479 V480 D481 | L426-V477 HydrophobicContact CD1-CG2 4.28Å; L426-V477 HydrophobicContact CD2-CG2 4.21Å; R473-V477 WeakPolarHBondContact O-CG2 3.28Å; R473-V477 PolarHBondContact O-N 3.47Å; D474-V477 PolarHBondContact O-N 3.47Å; V477-L479 VanDerWaalsContact C-N 3.27Å; V477-L479 PolarHBondContact O-N 2.74Å; V477-V480 PolarHBondContact O-N 3.5Å; V477-D481 PolarHBondContact O-N 3.21Å |
| 478 | L | 96.8 | Very high | 95.7 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 41% | 0.414 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 175.1 | 178.8 | 58.6 | 0 | 0 | 0 | 112 | D474 V480 D481 I482 | D474-L478 WeakPolarHBondContact O-CB 3.34Å; D474-L478 PolarHBondContact O-N 3.48Å; L478-V480 VanDerWaalsContact C-N 3.3Å; L478-V480 PolarHBondContact O-N 3.21Å; L478-D481 PolarHBondContact O-N 3.06Å; L478-I482 HydrophobicContact CD1-CD1 4.44Å; L478-I482 HydrophobicContact CD1-CG1 4.31Å; L478-I482 HydrophobicContact CG-CD1 4.14Å; L478-I482 HydrophobicContact CG-CG1 4.5Å; L478-I482 VanDerWaalsContact O-CG1 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.5Å; L478-I482 PolarHBondContact O-N 2.94Å |
| 479 | L | 96 | Very high | 95.5 | Very high | 20 Ų | 20 | 60.1 Ų | 60.1 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 175.7 | 178.3 | 64.2 | 0 | 0 | 0 | 111.7 | Q475 I476 V477 I482 Q483 L671 V672 | Q475-L479 WeakPolarHBondContact O-CB 3.5Å; Q475-L479 PolarHBondContact O-N 3.29Å; I476-L479 WeakPolarHBondContact O-CB 3.41Å; I476-L479 PolarHBondContact O-N 3.4Å; V477-L479 VanDerWaalsContact C-N 3.27Å; V477-L479 PolarHBondContact O-N 2.74Å; L479-I482 PolarHBondContact O-N 3.08Å; L479-Q483 WeakPolarHBondContact O-CG 3.29Å; L479-Q483 PolarHBondContact O-N 3.36Å; L479-L671 HydrophobicContact CD1-CB 4.38Å; L479-L671 HydrophobicContact CD1-CD1 3.68Å; L479-L671 HydrophobicContact CD2-CB 3.71Å; L479-L671 HydrophobicContact CD2-CD1 4.49Å; L479-V672 HydrophobicContact CD2-CG2 4.04Å |
| 480 | V | 95.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | I418 K422 I476 V477 L478 I482 Q483 L484 | I418-V480 HydrophobicContact CG2-CG1 3.95Å; I418-V480 WeakPolarHBondContact O-CG1 3.31Å; K422-V480 HydrophobicContact CD-CG1 4.43Å; K422-V480 HydrophobicContact CG-CB 3.85Å; K422-V480 HydrophobicContact CG-CG1 3.78Å; K422-V480 HydrophobicContact CG-CG2 3.93Å; I476-V480 PolarHBondContact O-N 2.84Å; V477-V480 PolarHBondContact O-N 3.5Å; L478-V480 VanDerWaalsContact C-N 3.3Å; L478-V480 PolarHBondContact O-N 3.21Å; V480-I482 VanDerWaalsContact C-N 3.26Å; V480-I482 PolarHBondContact O-N 3.03Å; V480-Q483 WeakPolarHBondContact O-CB 3.44Å; V480-Q483 PolarHBondContact O-N 2.68Å; V480-L484 HydrophobicContact CG1-CD1 4.38Å; V480-L484 PolarHBondContact O-N 2.92Å |
| 481 | D | 96.7 | Very high | 95 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 35% | 0.353 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.8 | -31.9 | 177.4 | -66.3 | -23 | 0 | 0 | 0 | 112.1 | K422 V477 L478 L484 S485 | K422-D481 WeakPolarHBondContact CE-OD1 3.47Å; K422-D481 IonicContact NZ-OD1 3.97Å; K422-D481 PolarHBondContact NZ-OD1 3.19Å; V477-D481 PolarHBondContact O-N 3.21Å; L478-D481 PolarHBondContact O-N 3.06Å; D481-L484 PolarHBondContact O-N 2.83Å; D481-S485 PolarHBondContact O-N 3.09Å |
| 482 | I | 96.4 | Very high | 94.7 | Very high | 85 Ų | 85 | 64 Ų | 64 | 44% | 0.436 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 170.2 | -70.4 | 164.8 | 0 | 0 | 0 | 110.6 | L478 L479 V480 L484 S485 | L478-I482 HydrophobicContact CD1-CD1 4.44Å; L478-I482 HydrophobicContact CD1-CG1 4.31Å; L478-I482 HydrophobicContact CG-CD1 4.14Å; L478-I482 HydrophobicContact CG-CG1 4.5Å; L478-I482 VanDerWaalsContact O-CG1 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.5Å; L478-I482 PolarHBondContact O-N 2.94Å; L479-I482 PolarHBondContact O-N 3.08Å; V480-I482 VanDerWaalsContact C-N 3.26Å; V480-I482 PolarHBondContact O-N 3.03Å; I482-L484 PolarHBondContact O-N 2.75Å; I482-S485 WeakPolarHBondContact O-CB 3.2Å; I482-S485 PolarHBondContact O-N 3.15Å; I482-S485 PolarHBondContact O-OG 3.3Å |
| 483 | Q | 94.4 | Very high | 94.4 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -32.7 | 176.4 | -61.2 | -59.5 | -38.6 | 0 | 0 | 112 | I418 L479 V480 V664 | I418-Q483 HydrophobicContact CG2-CB 3.8Å; L479-Q483 WeakPolarHBondContact O-CG 3.29Å; L479-Q483 PolarHBondContact O-N 3.36Å; V480-Q483 WeakPolarHBondContact O-CB 3.44Å; V480-Q483 PolarHBondContact O-N 2.68Å; Q483-V664 HydrophobicContact CB-CG1 4.18Å; Q483-V664 HydrophobicContact CG-CG1 4.05Å |
| 484 | L | 95 | Very high | 94.1 | Very high | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.4 | -32.2 | 173.1 | -69.1 | 169.8 | 0 | 0 | 0 | 111.9 | R415 I418 D419 V480 D481 I482 Y486 | R415-L484 HydrophobicContact CB-CD2 4.04Å; R415-L484 HydrophobicContact CG-CD2 4.28Å; R415-L484 PolarHBondContact NH1-O 2.99Å; R415-L484 PolarHBondContact NH2-O 3.46Å; R415-L484 VanDerWaalsContact O-CD2 3.29Å; R415-L484 WeakPolarHBondContact O-CD2 3.4Å; I418-L484 HydrophobicContact CB-CD2 3.74Å; I418-L484 HydrophobicContact CB-CG 4.42Å; I418-L484 HydrophobicContact CG2-CD2 3.69Å; I418-L484 HydrophobicContact CG2-CG 3.81Å; D419-L484 HydrophobicContact CB-CD1 4.27Å; V480-L484 HydrophobicContact CG1-CD1 4.38Å; V480-L484 PolarHBondContact O-N 2.92Å; D481-L484 PolarHBondContact O-N 2.83Å; I482-L484 PolarHBondContact O-N 2.75Å; L484-Y486 VanDerWaalsContact C-N 3.32Å; L484-Y486 PolarHBondContact O-N 3.45Å |
| 485 | S | 94.7 | Very high | 93.5 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.5 | -33.5 | -171.1 | 71.5 | 0 | 0 | 0 | 0 | 114.7 | D481 I482 | D481-S485 PolarHBondContact O-N 3.09Å; I482-S485 WeakPolarHBondContact O-CB 3.2Å; I482-S485 PolarHBondContact O-N 3.15Å; I482-S485 PolarHBondContact O-OG 3.3Å |
| 486 | Y | 93.2 | Very high | 92.7 | Very high | 144 Ų | 144 | 60.4 Ų | 60.4 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | trans | -150.3 | 129.6 | -177.3 | 176.6 | -108.3 | 0 | 0 | 0 | 111.6 | L484 N488 | L484-Y486 VanDerWaalsContact C-N 3.32Å; L484-Y486 PolarHBondContact O-N 3.45Å; Y486-N488 HydrophobicContact CD1-CB 4.18Å; Y486-N488 HydrophobicContact CE1-CB 3.74Å | ||
| 487 | M | 91.2 | Very high | 91.7 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | trans | -94.9 | 108.1 | 174.2 | -65 | -169.9 | -48.2 | 0 | 0 | 111.1 | F410 E411 T414 T489 Y660 | F410-M487 HydrophobicContact CD1-CE 3.91Å; F410-M487 HydrophobicContact CE1-CE 3.72Å; F410-M487 HydrophobicContact CE1-SD 4Å; F410-M487 HydrophobicContact CZ-SD 4.49Å; E411-M487 VanDerWaalsContact CA-CE 3.42Å; E411-M487 HydrophobicContact CB-CE 3.33Å; E411-M487 HydrophobicContact CB-SD 4.27Å; E411-M487 HydrophobicContact CG-CE 3.42Å; E411-M487 VanDerWaalsContact CG-CE 3.42Å; E411-M487 HydrophobicContact CG-SD 4.13Å; T414-M487 HydrophobicContact CG2-SD 3.95Å; M487-T489 PolarHBondContact O-N 2.96Å; M487-T489 VanDerWaalsContact O-N 3.08Å; M487-Y660 VanDerWaalsContact CA-OH 3.26Å; M487-Y660 WeakPolarHBondContact CA-OH 3.48Å; M487-Y660 HydrophobicContact CB-CE2 4.43Å; M487-Y660 HydrophobicContact CG-CE1 4.33Å | ||
| 488 | N | 92.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 69.9 Ų | 69.9 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | trans | -82.9 | 85.3 | -177.8 | -176.4 | 12.7 | 0 | 0 | 0 | 111.6 | Y486 N490 H491 Y660 | Y486-N488 HydrophobicContact CD1-CB 4.18Å; Y486-N488 HydrophobicContact CE1-CB 3.74Å; N488-N490 PolarHBondContact O-N 2.65Å; N488-N490 WeakPolarHBondContact OD1-CB 3.44Å; N488-N490 PolarHBondContact OD1-N 3.13Å; N488-N490 VanDerWaalsContact OD1-N 3.1Å; N488-H491 WeakPolarHBondContact O-CB 3.35Å; N488-H491 PolarHBondContact O-N 2.84Å; N488-Y660 PolarHBondContact N-OH 3.49Å | ||
| 489 | T | 90.5 | Very high | 89.7 | Confident | 70 Ų | 70 | 68.3 Ų | 68.3 | 43% | 0.429 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -2.6 | 175.5 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | F410 M487 F494 | F410-T489 HydrophobicContact CE1-CG2 4.21Å; M487-T489 PolarHBondContact O-N 2.96Å; M487-T489 VanDerWaalsContact O-N 3.08Å; T489-F494 HydrophobicContact CG2-CE1 4Å; T489-F494 HydrophobicContact CG2-CZ 4.48Å; T489-F494 WeakPolarHBondContact O-CD1 3.43Å |
| 490 | N | 91.6 | Very high | 88.6 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 7.5 | 172.5 | -62.1 | -39.9 | 0 | 0 | 0 | 112.5 | N488 | N488-N490 PolarHBondContact O-N 2.65Å; N488-N490 WeakPolarHBondContact OD1-CB 3.44Å; N488-N490 PolarHBondContact OD1-N 3.13Å; N488-N490 VanDerWaalsContact OD1-N 3.1Å |
| 491 | H | 91.7 | Very high | 87.5 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | trans | -64.2 | 136.5 | 178.1 | -171.2 | -74.9 | 0 | 0 | 0 | 111 | N488 D493 F494 I663 | N488-H491 WeakPolarHBondContact O-CB 3.35Å; N488-H491 PolarHBondContact O-N 2.84Å; H491-D493 VanDerWaalsContact C-N 3.31Å; H491-D493 IonicContact CE1-OD2 3.53Å; H491-D493 PolarHBondContact ND1-N 2.91Å; H491-D493 PolarHBondContact O-N 2.9Å; H491-F494 HydrophobicContact CB-CB 4.23Å; H491-F494 VanDerWaalsContact O-CB 3.32Å; H491-F494 WeakPolarHBondContact O-CB 3.35Å; H491-F494 PolarHBondContact O-N 2.76Å; H491-I663 HydrophobicContact CB-CD1 4.25Å; H491-I663 WeakPolarHBondContact NE2-CG2 3.42Å | ||
| 492 | E | 90.7 | Very high | 86.2 | Confident | 176 Ų | 176 | 72.5 Ų | 72.5 | 82% | 0.822 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -37.3 | -174.7 | 60.7 | -177.8 | -179.6 | 0 | 0 | 114 | F494 | E492-F494 VanDerWaalsContact C-N 3.28Å; E492-F494 PolarHBondContact O-N 3.44Å |
| 493 | D | 89.3 | Confident | 84.8 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.3 | 177.3 | -68.2 | -22.9 | 0 | 0 | 0 | 113.5 | H491 I663 K666 | H491-D493 VanDerWaalsContact C-N 3.31Å; H491-D493 IonicContact CE1-OD2 3.53Å; H491-D493 PolarHBondContact ND1-N 2.91Å; H491-D493 PolarHBondContact O-N 2.9Å; D493-I663 HydrophobicContact CB-CD1 4.05Å; D493-I663 HydrophobicContact CB-CG1 3.89Å; D493-K666 IonicContact OD2-NZ 2.67Å; D493-K666 PolarHBondContact OD2-NZ 3.43Å; D493-K666 VanDerWaalsContact OD2-NZ 3.08Å |
| 494 | F | 91.1 | Very high | 83.2 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | trans | -86.4 | 121.4 | -178.7 | -174.5 | -117.8 | 0 | 0 | 0 | 110.4 | F410 T489 H491 E492 G496 L656 Y660 I663 | F410-F494 HydrophobicContact CE1-CZ 4.44Å; F410-F494 HydrophobicContact CE2-CE2 4.32Å; F410-F494 HydrophobicContact CE2-CZ 4.27Å; F410-F494 HydrophobicContact CZ-CE2 4.07Å; F410-F494 AromaticContact CZ-CZ 3.85Å; F410-F494 HydrophobicContact CZ-CZ 3.85Å; T489-F494 HydrophobicContact CG2-CE1 4Å; T489-F494 HydrophobicContact CG2-CZ 4.48Å; T489-F494 WeakPolarHBondContact O-CD1 3.43Å; H491-F494 HydrophobicContact CB-CB 4.23Å; H491-F494 VanDerWaalsContact O-CB 3.32Å; H491-F494 WeakPolarHBondContact O-CB 3.35Å; H491-F494 PolarHBondContact O-N 2.76Å; E492-F494 VanDerWaalsContact C-N 3.28Å; E492-F494 PolarHBondContact O-N 3.44Å; F494-G496 PolarHBondContact O-N 3.26Å; F494-G496 VanDerWaalsContact O-N 3.08Å; F494-L656 HydrophobicContact CE1-CD2 4.28Å; F494-L656 HydrophobicContact CE2-CD2 4.28Å; F494-L656 WeakPolarHBondContact CE2-O 3.33Å; F494-L656 HydrophobicContact CZ-CB 4.32Å; F494-L656 HydrophobicContact CZ-CD2 3.68Å; F494-Y660 AromaticContact CD2-CD2 3.95Å; F494-Y660 HydrophobicContact CD2-CD2 3.95Å; F494-Y660 HydrophobicContact CE2-CD2 4.04Å; F494-Y660 HydrophobicContact CE2-CG 4.41Å; F494-I663 HydrophobicContact CB-CD1 3.78Å; F494-I663 HydrophobicContact CD2-CD1 4.38Å | ||
| 495 | I | 84.1 | Confident | 81.3 | Confident | 50 Ų | 50 | 75 Ų | 75 | 26% | 0.256 | 39% | 0.39 | S | S | . | . | trans | -62.8 | -22.1 | -170.8 | 63.3 | 176.4 | 0 | 0 | 0 | 114.1 | S499 A500 N655 L656 S659 | I495-S499 WeakPolarHBondContact O-CB 3.33Å; I495-S499 PolarHBondContact O-OG 2.86Å; I495-A500 HydrophobicContact CD1-CB 3.9Å; I495-A500 HydrophobicContact CG1-CB 4.47Å; I495-N655 HydrophobicContact CD1-CB 4.25Å; I495-L656 HydrophobicContact CG1-CD2 4.44Å; I495-S659 PolarHBondContact N-OG 3.1Å; I495-S659 VanDerWaalsContact N-OG 3.17Å | ||
| 496 | G | 80 | Confident | 79.1 | Confident | 22 Ų | 22 | 76.8 Ų | 76.8 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | 71 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F494 A500 L656 | F494-G496 PolarHBondContact O-N 3.26Å; F494-G496 VanDerWaalsContact O-N 3.08Å; G496-A500 WeakPolarHBondContact O-CB 3.24Å; G496-A500 PolarHBondContact O-N 3.17Å; G496-L656 WeakPolarHBondContact O-CD2 3.17Å |
| 497 | F | 77 | Confident | 76.6 | Confident | 93 Ų | 93 | 76 Ų | 76 | 41% | 0.408 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | -174.7 | -167.7 | -91.3 | 0 | 0 | 0 | 113 | P406 S499 A500 E501 I652 L656 | P406-F497 HydrophobicContact CB-CD2 4.48Å; P406-F497 HydrophobicContact CB-CE2 3.75Å; P406-F497 HydrophobicContact CG-CE2 3.66Å; P406-F497 HydrophobicContact CG-CZ 4.11Å; F497-S499 PolarHBondContact O-N 2.89Å; F497-A500 PolarHBondContact O-N 3.4Å; F497-E501 WeakPolarHBondContact O-CB 3.41Å; F497-E501 PolarHBondContact O-N 3.46Å; F497-I652 HydrophobicContact CD2-CG2 4.1Å; F497-I652 HydrophobicContact CE2-CG2 3.64Å; F497-I652 HydrophobicContact CZ-CD1 4.41Å; F497-I652 HydrophobicContact CZ-CG2 4.07Å; F497-L656 HydrophobicContact CD2-CD1 4.06Å |
| 498 | E | 74.9 | Confident | 73.8 | Confident | 149 Ų | 149 | 78.4 Ų | 78.4 | 70% | 0.696 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | -177.4 | -66 | -178.6 | 174.8 | 0 | 0 | 112.2 | E501 Q502 | E498-E501 PolarHBondContact O-N 2.84Å; E498-Q502 VanDerWaalsContact O-CG 3.29Å; E498-Q502 WeakPolarHBondContact O-CG 3.24Å; E498-Q502 PolarHBondContact O-N 3.4Å |
| 499 | S | 76.3 | Confident | 70.9 | Confident | 45 Ų | 45 | 84.7 Ų | 84.7 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 178 | -51.1 | 0 | 0 | 0 | 0 | 112 | I495 F497 E501 Q502 Q503 | I495-S499 WeakPolarHBondContact O-CB 3.33Å; I495-S499 PolarHBondContact O-OG 2.86Å; F497-S499 PolarHBondContact O-N 2.89Å; S499-E501 VanDerWaalsContact C-N 3.32Å; S499-Q502 PolarHBondContact O-N 3.02Å; S499-Q503 WeakPolarHBondContact O-CB 3.35Å; S499-Q503 VanDerWaalsContact O-CG 3.27Å; S499-Q503 WeakPolarHBondContact O-CG 3.47Å; S499-Q503 PolarHBondContact O-N 3.48Å |
| 500 | A | 74.1 | Confident | 68.3 | Low | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I495 G496 F497 S504 I652 N655 L656 | I495-A500 HydrophobicContact CD1-CB 3.9Å; I495-A500 HydrophobicContact CG1-CB 4.47Å; G496-A500 WeakPolarHBondContact O-CB 3.24Å; G496-A500 PolarHBondContact O-N 3.17Å; F497-A500 PolarHBondContact O-N 3.4Å; A500-S504 PolarHBondContact O-N 3.4Å; A500-S504 VanDerWaalsContact O-N 3.15Å; A500-I652 HydrophobicContact CB-CG2 4.2Å; A500-N655 HydrophobicContact CB-CB 3.95Å; A500-N655 PolarHBondContact O-ND2 3.12Å; A500-L656 HydrophobicContact CB-CD2 3.66Å; A500-L656 HydrophobicContact CB-CG 3.78Å |
| 501 | E | 72.6 | Confident | 65.5 | Low | 63 Ų | 63 | 90.8 Ų | 90.8 | 29% | 0.294 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69 | -44.6 | 173.6 | -171.2 | 174.5 | -169.9 | 0 | 0 | 111.5 | F497 E498 S499 Q503 S504 S505 R648 I652 | F497-E501 WeakPolarHBondContact O-CB 3.41Å; F497-E501 PolarHBondContact O-N 3.46Å; E498-E501 PolarHBondContact O-N 2.84Å; S499-E501 VanDerWaalsContact C-N 3.32Å; E501-Q503 VanDerWaalsContact C-N 3.35Å; E501-Q503 PolarHBondContact O-N 3.42Å; E501-S504 WeakPolarHBondContact O-CB 3.46Å; E501-S504 PolarHBondContact O-N 2.98Å; E501-S504 VanDerWaalsContact O-N 3.1Å; E501-S504 PolarHBondContact O-OG 2.88Å; E501-S505 PolarHBondContact O-N 3.48Å; E501-S505 PolarHBondContact O-OG 3.43Å; E501-R648 VanDerWaalsContact CG-NH2 3.31Å; E501-R648 IonicContact OE1-CZ 3.34Å; E501-R648 IonicContact OE1-NH1 3.72Å; E501-R648 IonicContact OE1-NH2 2.64Å; E501-R648 PolarHBondContact OE1-NH2 3.38Å; E501-I652 HydrophobicContact CB-CD1 4.21Å; E501-I652 HydrophobicContact CB-CG1 4.47Å; E501-I652 HydrophobicContact CG-CD1 4.03Å |
| 502 | Q | 69.4 | Low | 63.1 | Low | 112 Ų | 112 | 92.8 Ų | 92.8 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 175 | -74.7 | 171.7 | 10.6 | 0 | 0 | 111.8 | E498 S499 S504 S505 E506 | E498-Q502 VanDerWaalsContact O-CG 3.29Å; E498-Q502 WeakPolarHBondContact O-CG 3.24Å; E498-Q502 PolarHBondContact O-N 3.4Å; S499-Q502 PolarHBondContact O-N 3.02Å; Q502-S504 VanDerWaalsContact C-N 3.27Å; Q502-S504 PolarHBondContact O-N 3.32Å; Q502-S505 WeakPolarHBondContact CA-OG 3.35Å; Q502-S505 PolarHBondContact O-N 3.04Å; Q502-S505 VanDerWaalsContact O-N 3.08Å; Q502-S505 PolarHBondContact O-OG 3.48Å; Q502-E506 PolarHBondContact O-N 2.8Å |
| 503 | Q | 67.2 | Low | 60.9 | Low | 94 Ų | 94 | 86.8 Ų | 86.8 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.9 | -32.2 | 175.5 | -74.2 | 175.6 | 16.5 | 0 | 0 | 112.8 | S499 E501 S505 | S499-Q503 WeakPolarHBondContact O-CB 3.35Å; S499-Q503 VanDerWaalsContact O-CG 3.27Å; S499-Q503 WeakPolarHBondContact O-CG 3.47Å; S499-Q503 PolarHBondContact O-N 3.48Å; E501-Q503 VanDerWaalsContact C-N 3.35Å; E501-Q503 PolarHBondContact O-N 3.42Å; Q503-S505 VanDerWaalsContact C-N 3.31Å; Q503-S505 PolarHBondContact O-N 3.4Å |
| 504 | S | 61 | Low | 59.3 | Low | 21 Ų | 21 | 88.7 Ų | 88.7 | 15% | 0.147 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -69 | -28.5 | 174.9 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | A500 E501 Q502 | A500-S504 PolarHBondContact O-N 3.4Å; A500-S504 VanDerWaalsContact O-N 3.15Å; E501-S504 WeakPolarHBondContact O-CB 3.46Å; E501-S504 PolarHBondContact O-N 2.98Å; E501-S504 VanDerWaalsContact O-N 3.1Å; E501-S504 PolarHBondContact O-OG 2.88Å; Q502-S504 VanDerWaalsContact C-N 3.27Å; Q502-S504 PolarHBondContact O-N 3.32Å |
| 505 | S | 53.5 | Low | 58.4 | Low | 82 Ų | 82 | 95.1 Ų | 95.1 | 57% | 0.573 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -92.2 | -21.7 | 178.7 | 34.5 | 0 | 0 | 0 | 0 | 114.4 | E501 Q502 Q503 | E501-S505 PolarHBondContact O-N 3.48Å; E501-S505 PolarHBondContact O-OG 3.43Å; Q502-S505 WeakPolarHBondContact CA-OG 3.35Å; Q502-S505 PolarHBondContact O-N 3.04Å; Q502-S505 VanDerWaalsContact O-N 3.08Å; Q502-S505 PolarHBondContact O-OG 3.48Å; Q503-S505 VanDerWaalsContact C-N 3.31Å; Q503-S505 PolarHBondContact O-N 3.4Å |
| 506 | E | 48.4 | Very low | 58.4 | Low | 123 Ų | 123 | 96.3 Ų | 96.3 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | trans | -108 | 47.3 | -177 | -68.2 | -167.4 | 151.5 | 0 | 0 | 112.9 | Q502 A508 | Q502-E506 PolarHBondContact O-N 2.8Å; E506-A508 PolarHBondContact O-N 3.26Å | ||
| 507 | V | 40.6 | Very low | 58.7 | Low | 128 Ų | 128 | 97.2 Ų | 97.2 | 78% | 0.776 | 52% | 0.518 | S | S | * | . | trans | -67.9 | 66.8 | 171.7 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 508 | A | 34.4 | Very low | 59.3 | Low | 75 Ų | 75 | 94.7 Ų | 94.7 | 62% | 0.62 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 168.1 | 113 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E506 | E506-A508 PolarHBondContact O-N 3.26Š|
| 509 | K | 31.4 | Very low | 60.3 | Low | 189 Ų | 189 | 91.8 Ų | 91.8 | 82% | 0.822 | 49% | 0.491 | S | S | * | . | trans | 98.5 | 85.3 | 162.8 | -52.7 | 160.4 | -176.7 | 173.7 | 0 | 116.2 | ||||
| 510 | N | 34.7 | Very low | 61.1 | Low | 147 Ų | 147 | 90.1 Ų | 90.1 | 79% | 0.786 | 48% | 0.482 | S | S | * | . | trans | -144.4 | 120.3 | 140 | -91.1 | -37.8 | 0 | 0 | 0 | 110.2 | P512 | N510-P512 WeakPolarHBondContact O-CD 3.34Š| ||
| 511 | K | 32.4 | Very low | 62 | Low | 183 Ų | 183 | 95.6 Ų | 95.6 | 80% | 0.796 | 50% | 0.502 | S | S | * | . | trans | -86.2 | 117.5 | -178.3 | -82 | 175.9 | 168.7 | 177.2 | 0 | 111.1 | ||||
| 512 | P | 41.1 | Very low | 62.9 | Low | 95 Ų | 95 | 92.7 Ų | 92.7 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | trans | -98.9 | 100 | 165.6 | 20.6 | -2.1 | 0 | 0 | 0 | 110.9 | N510 E544 | N510-P512 WeakPolarHBondContact O-CD 3.34Å; P512-E544 WeakPolarHBondContact CD-OE1 3.49Å | ||
| 513 | G | 46.4 | Very low | 63.8 | Low | 50 Ų | 50 | 88.4 Ų | 88.4 | 52% | 0.515 | 47% | 0.471 | S | S | . | . | trans | 39.8 | 113.9 | 151 | 0 | 0 | 0 | 0 | 0 | 119.2 | K515 T543 | G513-K515 PolarHBondContact O-N 3.15Å; G513-T543 PolarHBondContact O-OG1 2.81Å | ||
| 514 | N | 54.9 | Low | 64.7 | Low | 116 Ų | 116 | 84 Ų | 84 | 62% | 0.62 | 45% | 0.45 | S | S | * | . | trans | -60 | 63.2 | 175.3 | -158.3 | 31.5 | 0 | 0 | 0 | 114.2 | N542 | N514-N542 PolarHBondContact OD1-ND2 3.18Š| ||
| 515 | K | 73.1 | Confident | 65.6 | Low | 160 Ų | 160 | 85.6 Ų | 85.6 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | trans | -88.7 | 129.9 | 174.9 | -75.4 | -175.7 | 179.7 | 177.4 | 0 | 109.8 | G513 I517 N542 T543 | G513-K515 PolarHBondContact O-N 3.15Å; K515-I517 PolarHBondContact O-N 3.17Å; K515-N542 VanDerWaalsContact O-CA 3.28Å; K515-N542 WeakPolarHBondContact O-CA 3.44Å; K515-T543 HydrophobicContact CB-CG2 4.36Å; K515-T543 PolarHBondContact O-N 2.81Å; K515-T543 VanDerWaalsContact O-N 3.14Å | ||
| 516 | V | 83.7 | Confident | 66.2 | Low | 76 Ų | 76 | 82.1 Ų | 82.1 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 122.8 | 174.4 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | K519 V540 N542 | V516-K519 HydrophobicContact CG1-CD 4.35Å; V516-K519 HydrophobicContact CG1-CG 3.7Å; V516-V540 HydrophobicContact CG1-CG1 4.04Å; V516-V540 HydrophobicContact CG2-CG1 4.22Å; V516-N542 WeakPolarHBondContact CA-OD1 3.49Å; V516-N542 WeakPolarHBondContact CG2-OD1 3.41Å |
| 517 | I | 85.5 | Confident | 66.7 | Low | 40 Ų | 40 | 78.2 Ų | 78.2 | 21% | 0.205 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -42 | 174.9 | -64.3 | 172.8 | 0 | 0 | 0 | 110.3 | K515 L541 T543 R618 A619 | K515-I517 PolarHBondContact O-N 3.17Å; I517-L541 WeakPolarHBondContact CA-O 3.49Å; I517-L541 HydrophobicContact CB-CD2 4.33Å; I517-L541 HydrophobicContact CB-CG 4.29Å; I517-L541 HydrophobicContact CG2-CD2 4.2Å; I517-L541 PolarHBondContact N-O 3.32Å; I517-T543 HydrophobicContact CD1-CG2 4.03Å; I517-T543 HydrophobicContact CG1-CG2 4.22Å; I517-R618 HydrophobicContact CG2-CB 4.14Å; I517-A619 HydrophobicContact CD1-CB 3.36Å |
| 518 | R | 90.9 | Very high | 67.2 | Low | 41 Ų | 41 | 76 Ų | 76 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 148.4 | -179.4 | -179.2 | 168 | -176.4 | 152.2 | 4.8 | 111.9 | L541 S611 W612 S615 | R518-L541 HydrophobicContact CB-CB 4.46Å; R518-L541 PolarHBondContact N-O 3.38Å; R518-L541 VanDerWaalsContact N-O 3.15Å; R518-L541 PolarHBondContact O-N 3.49Å; R518-S611 VanDerWaalsContact NH1-CB 3.29Å; R518-S611 PolarHBondContact NH1-O 3.14Å; R518-S611 PolarHBondContact NH1-OG 3.36Å; R518-S611 PolarHBondContact NH2-OG 3.35Å; R518-W612 HydrophobicContact CB-CZ3 4.26Å; R518-W612 HydrophobicContact CG-CE3 4.25Å; R518-W612 HydrophobicContact CG-CH2 3.89Å; R518-W612 HydrophobicContact CG-CZ2 4.21Å; R518-W612 HydrophobicContact CG-CZ3 3.91Å; R518-W612 VanDerWaalsContact NH1-N 3.17Å; R518-S615 WeakPolarHBondContact CD-OG 3.4Å |
| 519 | K | 93.9 | Very high | 67.8 | Low | 87 Ų | 87 | 79.5 Ų | 79.5 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153.3 | 163.8 | -52.8 | -171.6 | 171.1 | -166.5 | 0 | 110.3 | V516 W538 F539 V540 E554 | V516-K519 HydrophobicContact CG1-CD 4.35Å; V516-K519 HydrophobicContact CG1-CG 3.7Å; K519-W538 HydrophobicContact CB-CH2 4.28Å; K519-W538 HydrophobicContact CB-CZ2 3.53Å; K519-W538 HydrophobicContact CD-CZ2 4.28Å; K519-F539 CarbonylContact C-O 3.58Å; K519-F539 WeakPolarHBondContact CA-O 3.24Å; K519-V540 HydrophobicContact CD-CG2 4.06Å; K519-V540 HydrophobicContact CG-CB 4.45Å; K519-V540 HydrophobicContact CG-CG1 4.18Å; K519-V540 HydrophobicContact CG-CG2 4.01Å; K519-E554 VanDerWaalsContact CD-OE1 3.32Å; K519-E554 WeakPolarHBondContact CD-OE1 3.16Å; K519-E554 WeakPolarHBondContact CE-OE1 3.44Å; K519-E554 IonicContact NZ-OE1 3.56Å; K519-E554 PolarHBondContact NZ-OE1 3.31Å; K519-E554 IonicContact NZ-OE2 2.63Å; K519-E554 PolarHBondContact NZ-OE2 2.92Å |
| 520 | G | 93 | Very high | 68.3 | Low | 11 Ų | 11 | 78.6 Ų | 78.6 | 11% | 0.113 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.8 | 169.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | W538 F539 | G520-W538 VanDerWaalsContact CA-CZ3 3.47Å; G520-F539 PolarHBondContact N-O 3.28Å; G520-F539 PolarHBondContact O-N 2.9Å |
| 521 | W | 93.1 | Very high | 68.5 | Low | 115 Ų | 115 | 83.1 Ų | 83.1 | 44% | 0.436 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 135.3 | 175.3 | -66.4 | 100.2 | 0 | 0 | 0 | 111.5 | D536 W538 D551 D552 | W521-D536 HydrophobicContact CE3-CB 3.99Å; W521-D536 HydrophobicContact CZ3-CB 4.31Å; W521-W538 AromaticContact CD1-CE3 3.63Å; W521-W538 AromaticContact CD1-CZ3 3.48Å; W521-W538 VanDerWaalsContact CD1-CZ3 3.48Å; W521-W538 AromaticContact CD2-CE3 3.89Å; W521-W538 HydrophobicContact CD2-CE3 3.89Å; W521-W538 AromaticContact CE2-CE3 3.69Å; W521-W538 AromaticContact CG-CE3 3.86Å; W521-W538 HydrophobicContact CG-CE3 3.86Å; W521-W538 HydrophobicContact CG-CZ3 4.11Å; W521-W538 HydrophobicContact CZ2-CE3 4.36Å; W521-W538 AromaticContact NE1-CE3 3.48Å; W521-W538 AromaticContact NE1-CZ3 3.46Å; W521-D551 HydrophobicContact CH2-CB 4.44Å; W521-D552 HydrophobicContact CZ2-CB 4.06Å |
| 522 | L | 91.9 | Very high | 68.7 | Low | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 152.2 | 165.9 | -67.4 | 169.4 | 0 | 0 | 0 | 108.8 | F537 F539 L601 C602 A603 W612 | L522-F537 PolarHBondContact N-O 2.96Å; L522-F537 PolarHBondContact O-N 3.37Å; L522-F539 HydrophobicContact CB-CD2 3.55Å; L522-F539 HydrophobicContact CB-CE2 3.64Å; L522-F539 HydrophobicContact CB-CG 4.32Å; L522-F539 HydrophobicContact CB-CZ 4.47Å; L522-F539 HydrophobicContact CD1-CB 4.32Å; L522-F539 HydrophobicContact CD1-CD1 4.46Å; L522-F539 HydrophobicContact CD1-CD2 4.14Å; L522-F539 HydrophobicContact CD1-CG 4.05Å; L522-F539 HydrophobicContact CG-CD2 4.2Å; L522-F539 WeakPolarHBondContact O-CE2 3.4Å; L522-L601 HydrophobicContact CD1-CB 4.37Å; L522-L601 HydrophobicContact CD1-CD1 4.09Å; L522-C602 WeakPolarHBondContact CA-O 3.31Å; L522-C602 WeakPolarHBondContact CD2-O 3.37Å; L522-A603 HydrophobicContact CD2-CB 3.82Å; L522-W612 HydrophobicContact CD1-CD2 3.82Å; L522-W612 HydrophobicContact CD1-CE3 4.01Å; L522-W612 HydrophobicContact CD1-CG 4.36Å; L522-W612 HydrophobicContact CD1-CH2 4.1Å; L522-W612 HydrophobicContact CD1-CZ2 3.89Å; L522-W612 HydrophobicContact CD1-CZ3 4.16Å; L522-W612 HydrophobicContact CD2-CD2 4.26Å; L522-W612 HydrophobicContact CD2-CG 4.13Å; L522-W612 HydrophobicContact CD2-CZ2 4.49Å; L522-W612 HydrophobicContact CG-CD2 4.25Å; L522-W612 HydrophobicContact CG-CZ2 3.87Å |
| 523 | S | 88.6 | Confident | 69.1 | Low | 22 Ų | 22 | 74.7 Ų | 74.7 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.8 | 174.6 | -34.9 | 0 | 0 | 0 | 0 | 111 | D536 C602 | S523-D536 WeakPolarHBondContact CB-OD1 3.44Å; S523-D536 PolarHBondContact OG-OD1 2.94Å; S523-C602 PolarHBondContact N-O 2.98Å; S523-C602 PolarHBondContact O-N 2.79Å |
| 524 | L | 86.3 | Confident | 69.7 | Low | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.7 | 172.8 | -145.6 | 85.4 | 0 | 0 | 0 | 110.8 | V527 K535 F537 F539 Y593 L599 L601 | L524-V527 HydrophobicContact CB-CG2 4.09Å; L524-V527 HydrophobicContact CD2-CG2 3.37Å; L524-V527 HydrophobicContact CG-CG2 4.21Å; L524-K535 PolarHBondContact N-O 2.88Å; L524-K535 VanDerWaalsContact N-O 3.1Å; L524-F537 HydrophobicContact CB-CD2 4.04Å; L524-F537 HydrophobicContact CB-CE2 3.98Å; L524-F539 HydrophobicContact CD1-CE1 4.45Å; L524-F539 HydrophobicContact CD1-CZ 3.75Å; L524-Y593 HydrophobicContact CD2-CD1 3.99Å; L524-Y593 HydrophobicContact CD2-CE1 3.65Å; L524-L599 HydrophobicContact CD1-CD1 3.47Å; L524-L599 VanDerWaalsContact CD1-CD1 3.47Å; L524-L599 HydrophobicContact CD1-CD2 4.27Å; L524-L599 HydrophobicContact CD1-CG 3.93Å; L524-L599 HydrophobicContact CD2-CD1 3.87Å; L524-L599 HydrophobicContact CG-CD1 3.93Å; L524-L601 HydrophobicContact CD1-CD2 3.58Å |
| 525 | Q | 78.9 | Confident | 70.6 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -87.8 | -28.2 | -178 | -174.7 | 170.4 | -10.1 | 0 | 0 | 113.3 | V527 T528 E600 C602 | Q525-V527 PolarHBondContact O-N 2.93Å; Q525-T528 PolarHBondContact O-OG1 3.07Å; Q525-E600 HydrophobicContact CB-CB 3.87Å; Q525-E600 VanDerWaalsContact CD-OE2 3.28Å; Q525-E600 WeakPolarHBondContact CG-OE2 3.26Å; Q525-E600 PolarHBondContact N-O 2.82Å; Q525-C602 PolarHBondContact OE1-SG 3.01Å |
| 526 | N | 67.9 | Low | 71.3 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -8.6 | -178.1 | -66.2 | 60.4 | 0 | 0 | 0 | 116 | T528 Y596 Q598 E600 | N526-T528 VanDerWaalsContact C-N 3.26Å; N526-T528 PolarHBondContact O-N 2.8Å; N526-Y596 HydrophobicContact CB-CD1 3.95Å; N526-Y596 HydrophobicContact CB-CD2 3.97Å; N526-Y596 HydrophobicContact CB-CE1 4.09Å; N526-Y596 HydrophobicContact CB-CE2 4.11Å; N526-Y596 HydrophobicContact CB-CG 3.91Å; N526-Y596 WeakPolarHBondContact ND2-CB 3.5Å; N526-Y596 WeakPolarHBondContact ND2-CD1 3.45Å; N526-Y596 WeakPolarHBondContact O-CE1 3.4Å; N526-Y596 VanDerWaalsContact O-CE2 3.31Å; N526-Y596 WeakPolarHBondContact O-CE2 3.45Å; N526-Y596 PolarHBondContact O-OH 3.41Å; N526-Q598 PolarHBondContact ND2-O 3.17Å; N526-E600 WeakPolarHBondContact OD1-CB 3.35Å; N526-E600 WeakPolarHBondContact OD1-CG 3.45Å; N526-E600 PolarHBondContact OD1-N 2.8Å |
| 527 | V | 59.1 | Low | 71.7 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 15.6 | -171.1 | -162.9 | 0 | 0 | 0 | 0 | 113.3 | L524 Q525 L529 | L524-V527 HydrophobicContact CB-CG2 4.09Å; L524-V527 HydrophobicContact CD2-CG2 3.37Å; L524-V527 HydrophobicContact CG-CG2 4.21Å; Q525-V527 PolarHBondContact O-N 2.93Å; V527-L529 PolarHBondContact O-N 3.12Å |
| 528 | T | 50.7 | Low | 72.1 | Confident | 82 Ų | 82 | 67.6 Ų | 67.6 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.7 | -157.7 | 22.7 | 0 | 0 | 0 | 0 | 118.3 | Q525 N526 | Q525-T528 PolarHBondContact O-OG1 3.07Å; N526-T528 VanDerWaalsContact C-N 3.26Å; N526-T528 PolarHBondContact O-N 2.8Å |
| 529 | L | 47.3 | Very low | 72.3 | Confident | 147 Ų | 147 | 65.6 Ų | 65.6 | 77% | 0.77 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10.8 | -174.9 | -97.8 | 124.1 | 0 | 0 | 0 | 118.2 | V527 | V527-L529 PolarHBondContact O-N 3.12Š|
| 530 | L | 40.4 | Very low | 72.4 | Confident | 171 Ų | 171 | 61.7 Ų | 61.7 | 90% | 0.895 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -142.6 | 97.4 | 174.7 | -70.8 | 168.4 | 0 | 0 | 0 | 111.2 | ||
| 531 | R | 39.7 | Very low | 72.4 | Confident | 241 Ų | 241 | 61.2 Ų | 61.2 | 91% | 0.909 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 66.4 | 84.4 | 174.6 | -79.2 | 179.2 | 167.9 | 161 | -3.5 | 117.1 | ||
| 532 | G | 37.1 | Very low | 72.2 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | trans | 101.6 | 99.7 | 138.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | K535 | G532-K535 WeakPolarHBondContact O-CE 3.39Š| ||
| 533 | G | 48.4 | Very low | 71.7 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 64.3 | 157 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | K535 | G533-K535 PolarHBondContact O-N 2.75Å; G533-K535 VanDerWaalsContact O-N 3.12Å |
| 534 | N | 59.9 | Low | 71.6 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -55 | 117.5 | 159 | -81.9 | 15.4 | 0 | 0 | 0 | 107 | K579 | N534-K579 PolarHBondContact ND2-NZ 3.25Š|
| 535 | K | 74 | Confident | 71.9 | Confident | 92 Ų | 92 | 61 Ų | 61 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.2 | 175.5 | -74.8 | -176.9 | -178.8 | 172.2 | 0 | 108.6 | L524 G532 G533 F537 | L524-K535 PolarHBondContact N-O 2.88Å; L524-K535 VanDerWaalsContact N-O 3.1Å; G532-K535 WeakPolarHBondContact O-CE 3.39Å; G533-K535 PolarHBondContact O-N 2.75Å; G533-K535 VanDerWaalsContact O-N 3.12Å; K535-F537 HydrophobicContact CB-CD2 4.36Å; K535-F537 HydrophobicContact CB-CE2 3.61Å; K535-F537 HydrophobicContact CB-CZ 3.76Å; K535-F537 HydrophobicContact CD-CZ 4.33Å; K535-F537 VanDerWaalsContact O-CD2 3.29Å; K535-F537 WeakPolarHBondContact O-CD2 3.41Å; K535-F537 WeakPolarHBondContact O-CE2 3.49Å |
| 536 | D | 86.9 | Confident | 72.6 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 135.5 | 170.1 | -60.4 | -30.5 | 0 | 0 | 0 | 108.8 | W521 S523 | W521-D536 HydrophobicContact CE3-CB 3.99Å; W521-D536 HydrophobicContact CZ3-CB 4.31Å; S523-D536 WeakPolarHBondContact CB-OD1 3.44Å; S523-D536 PolarHBondContact OG-OD1 2.94Å |
| 537 | F | 92.2 | Very high | 73.8 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 154.6 | 174.7 | -63.5 | -80.6 | 0 | 0 | 0 | 108.7 | L522 L524 K535 F539 W548 Y549 R558 | L522-F537 PolarHBondContact N-O 2.96Å; L522-F537 PolarHBondContact O-N 3.37Å; L524-F537 HydrophobicContact CB-CD2 4.04Å; L524-F537 HydrophobicContact CB-CE2 3.98Å; K535-F537 HydrophobicContact CB-CD2 4.36Å; K535-F537 HydrophobicContact CB-CE2 3.61Å; K535-F537 HydrophobicContact CB-CZ 3.76Å; K535-F537 HydrophobicContact CD-CZ 4.33Å; K535-F537 VanDerWaalsContact O-CD2 3.29Å; K535-F537 WeakPolarHBondContact O-CD2 3.41Å; K535-F537 WeakPolarHBondContact O-CE2 3.49Å; F537-F539 HydrophobicContact CB-CD2 4.2Å; F537-F539 HydrophobicContact CB-CE2 3.69Å; F537-F539 HydrophobicContact CB-CZ 4.39Å; F537-F539 VanDerWaalsContact O-CD2 3.32Å; F537-F539 WeakPolarHBondContact O-CD2 3.32Å; F537-W548 HydrophobicContact CB-CB 4.06Å; F537-W548 HydrophobicContact CB-CG 4.31Å; F537-W548 AromaticContact CD1-CD1 3.97Å; F537-W548 AromaticContact CG-CD1 3.77Å; F537-Y549 WeakPolarHBondContact CA-O 3.34Å; F537-Y549 WeakPolarHBondContact CB-O 3.4Å; F537-Y549 WeakPolarHBondContact CD1-O 3.27Å; F537-R558 HydrophobicContact CD1-CG 3.96Å; F537-R558 HydrophobicContact CE1-CG 3.86Å |
| 538 | W | 94.2 | Very high | 75.4 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 16% | 0.163 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 112.5 | 173 | -178.7 | -109.1 | 0 | 0 | 0 | 109.4 | K519 G520 W521 W548 Y549 D551 D552 E554 | K519-W538 HydrophobicContact CB-CH2 4.28Å; K519-W538 HydrophobicContact CB-CZ2 3.53Å; K519-W538 HydrophobicContact CD-CZ2 4.28Å; G520-W538 VanDerWaalsContact CA-CZ3 3.47Å; W521-W538 AromaticContact CD1-CE3 3.63Å; W521-W538 AromaticContact CD1-CZ3 3.48Å; W521-W538 VanDerWaalsContact CD1-CZ3 3.48Å; W521-W538 AromaticContact CD2-CE3 3.89Å; W521-W538 HydrophobicContact CD2-CE3 3.89Å; W521-W538 AromaticContact CE2-CE3 3.69Å; W521-W538 AromaticContact CG-CE3 3.86Å; W521-W538 HydrophobicContact CG-CE3 3.86Å; W521-W538 HydrophobicContact CG-CZ3 4.11Å; W521-W538 HydrophobicContact CZ2-CE3 4.36Å; W521-W538 AromaticContact NE1-CE3 3.48Å; W521-W538 AromaticContact NE1-CZ3 3.46Å; W538-W548 CarbonylContact O-C 3.53Å; W538-W548 VanDerWaalsContact O-CA 3.22Å; W538-W548 WeakPolarHBondContact O-CA 3.38Å; W538-Y549 PolarHBondContact N-O 3.01Å; W538-Y549 PolarHBondContact O-N 2.84Å; W538-D551 WeakPolarHBondContact CB-O 3.39Å; W538-D552 HydrophobicContact CD2-CB 3.68Å; W538-D552 HydrophobicContact CE3-CB 3.83Å; W538-D552 HydrophobicContact CG-CB 4.02Å; W538-D552 HydrophobicContact CH2-CB 4.45Å; W538-D552 HydrophobicContact CZ2-CB 4.33Å; W538-D552 HydrophobicContact CZ3-CB 4.21Å; W538-E554 PolarHBondContact NE1-OE1 3.03Å |
| 539 | F | 95.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.1 | -178.8 | -75.5 | -102.1 | 0 | 0 | 0 | 110.8 | K519 G520 L522 L524 F537 L546 T547 W548 L601 W612 | K519-F539 CarbonylContact C-O 3.58Å; K519-F539 WeakPolarHBondContact CA-O 3.24Å; G520-F539 PolarHBondContact N-O 3.28Å; G520-F539 PolarHBondContact O-N 2.9Å; L522-F539 HydrophobicContact CB-CD2 3.55Å; L522-F539 HydrophobicContact CB-CE2 3.64Å; L522-F539 HydrophobicContact CB-CG 4.32Å; L522-F539 HydrophobicContact CB-CZ 4.47Å; L522-F539 HydrophobicContact CD1-CB 4.32Å; L522-F539 HydrophobicContact CD1-CD1 4.46Å; L522-F539 HydrophobicContact CD1-CD2 4.14Å; L522-F539 HydrophobicContact CD1-CG 4.05Å; L522-F539 HydrophobicContact CG-CD2 4.2Å; L522-F539 WeakPolarHBondContact O-CE2 3.4Å; L524-F539 HydrophobicContact CD1-CE1 4.45Å; L524-F539 HydrophobicContact CD1-CZ 3.75Å; F537-F539 HydrophobicContact CB-CD2 4.2Å; F537-F539 HydrophobicContact CB-CE2 3.69Å; F537-F539 HydrophobicContact CB-CZ 4.39Å; F537-F539 VanDerWaalsContact O-CD2 3.32Å; F537-F539 WeakPolarHBondContact O-CD2 3.32Å; F539-L546 HydrophobicContact CB-CD1 4.24Å; F539-L546 HydrophobicContact CD1-CD1 3.72Å; F539-L546 HydrophobicContact CD1-CD2 3.77Å; F539-L546 HydrophobicContact CD1-CG 3.71Å; F539-L546 HydrophobicContact CE1-CD2 3.91Å; F539-L546 HydrophobicContact CE1-CG 4.25Å; F539-L546 HydrophobicContact CG-CD1 4.46Å; F539-T547 CarbonylContact C-O 3.57Å; F539-T547 WeakPolarHBondContact CA-O 3.25Å; F539-W548 HydrophobicContact CD1-CB 3.67Å; F539-W548 HydrophobicContact CD1-CD2 4.4Å; F539-W548 HydrophobicContact CD1-CE3 4.07Å; F539-W548 HydrophobicContact CD1-CG 4.32Å; F539-W548 HydrophobicContact CD2-CB 4.05Å; F539-W548 HydrophobicContact CE1-CB 3.67Å; F539-W548 AromaticContact CE1-CD2 3.71Å; F539-W548 HydrophobicContact CE1-CD2 3.71Å; F539-W548 AromaticContact CE1-CE3 3.51Å; F539-W548 HydrophobicContact CE1-CE3 3.51Å; F539-W548 AromaticContact CE1-CG 3.84Å; F539-W548 HydrophobicContact CE1-CG 3.84Å; F539-W548 HydrophobicContact CE1-CZ3 4.26Å; F539-W548 HydrophobicContact CE2-CB 4.05Å; F539-W548 HydrophobicContact CE2-CG 4.47Å; F539-W548 HydrophobicContact CG-CB 3.88Å; F539-W548 HydrophobicContact CZ-CB 3.85Å; F539-W548 HydrophobicContact CZ-CD2 4.07Å; F539-W548 HydrophobicContact CZ-CE3 4.31Å; F539-W548 AromaticContact CZ-CG 3.91Å; F539-W548 HydrophobicContact CZ-CG 3.91Å; F539-L601 HydrophobicContact CE1-CD2 3.72Å; F539-L601 HydrophobicContact CE2-CD2 4.3Å; F539-L601 HydrophobicContact CZ-CD2 3.52Å; F539-W612 HydrophobicContact CB-CH2 3.78Å; F539-W612 HydrophobicContact CB-CZ2 4.47Å; F539-W612 HydrophobicContact CB-CZ3 4.4Å |
| 540 | V | 94.7 | Very high | 79.4 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 105.6 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 107 | V516 K519 N542 T547 Y549 E554 | V516-V540 HydrophobicContact CG1-CG1 4.04Å; V516-V540 HydrophobicContact CG2-CG1 4.22Å; K519-V540 HydrophobicContact CD-CG2 4.06Å; K519-V540 HydrophobicContact CG-CB 4.45Å; K519-V540 HydrophobicContact CG-CG1 4.18Å; K519-V540 HydrophobicContact CG-CG2 4.01Å; V540-N542 WeakPolarHBondContact CG1-OD1 3.2Å; V540-T547 PolarHBondContact N-O 2.79Å; V540-T547 PolarHBondContact O-N 2.86Å; V540-Y549 HydrophobicContact CB-CE2 4.1Å; V540-Y549 HydrophobicContact CG2-CD2 3.99Å; V540-Y549 HydrophobicContact CG2-CE2 3.6Å; V540-E554 HydrophobicContact CG2-CG 4.42Å |
| 541 | L | 94.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.1 | 175 | 178.2 | 68.2 | 0 | 0 | 0 | 108.9 | I517 R518 L546 L563 W612 S615 F616 A619 | I517-L541 WeakPolarHBondContact CA-O 3.49Å; I517-L541 HydrophobicContact CB-CD2 4.33Å; I517-L541 HydrophobicContact CB-CG 4.29Å; I517-L541 HydrophobicContact CG2-CD2 4.2Å; I517-L541 PolarHBondContact N-O 3.32Å; R518-L541 HydrophobicContact CB-CB 4.46Å; R518-L541 PolarHBondContact N-O 3.38Å; R518-L541 VanDerWaalsContact N-O 3.15Å; R518-L541 PolarHBondContact O-N 3.49Å; L541-L546 HydrophobicContact CB-CD1 3.95Å; L541-L546 HydrophobicContact CD1-CB 4.34Å; L541-L546 HydrophobicContact CD1-CD1 4Å; L541-L563 HydrophobicContact CD1-CD1 3.55Å; L541-L563 HydrophobicContact CD1-CD2 3.96Å; L541-L563 HydrophobicContact CD1-CG 4.36Å; L541-W612 HydrophobicContact CB-CZ3 4.23Å; L541-S615 VanDerWaalsContact CD2-C 3.46Å; L541-S615 WeakPolarHBondContact CD2-O 3.4Å; L541-F616 HydrophobicContact CD1-CD1 3.84Å; L541-F616 HydrophobicContact CD1-CE1 3.65Å; L541-F616 HydrophobicContact CD1-CZ 4.38Å; L541-F616 HydrophobicContact CD2-CD1 4.15Å; L541-F616 HydrophobicContact CD2-CE1 4.39Å; L541-F616 HydrophobicContact CD2-CG 4.27Å; L541-A619 HydrophobicContact CD1-CB 4.07Å; L541-A619 HydrophobicContact CD2-CB 4.22Å; L541-A619 HydrophobicContact CG-CB 4.28Å |
| 542 | N | 88.8 | Confident | 84.1 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 176.1 | 170.5 | -63.6 | -7 | 0 | 0 | 0 | 109.7 | N514 K515 V516 V540 E544 S545 L563 | N514-N542 PolarHBondContact OD1-ND2 3.18Å; K515-N542 VanDerWaalsContact O-CA 3.28Å; K515-N542 WeakPolarHBondContact O-CA 3.44Å; V516-N542 WeakPolarHBondContact CA-OD1 3.49Å; V516-N542 WeakPolarHBondContact CG2-OD1 3.41Å; V540-N542 WeakPolarHBondContact CG1-OD1 3.2Å; N542-E544 PolarHBondContact O-N 2.95Å; N542-S545 PolarHBondContact N-O 2.85Å; N542-L563 VanDerWaalsContact O-CD1 3.28Å; N542-L563 WeakPolarHBondContact O-CD1 3.38Å |
| 543 | T | 81.6 | Confident | 86.6 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -57.8 | -28.4 | 173.6 | 45.5 | 0 | 0 | 0 | 0 | 114.2 | G513 K515 I517 | G513-T543 PolarHBondContact O-OG1 2.81Å; K515-T543 HydrophobicContact CB-CG2 4.36Å; K515-T543 PolarHBondContact O-N 2.81Å; K515-T543 VanDerWaalsContact O-N 3.14Å; I517-T543 HydrophobicContact CD1-CG2 4.03Å; I517-T543 HydrophobicContact CG1-CG2 4.22Å |
| 544 | E | 85.1 | Confident | 88.5 | Confident | 61 Ų | 61 | 41.7 Ų | 41.7 | 29% | 0.285 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -116.8 | -19.4 | -174.9 | -62.8 | -178.2 | 174.2 | 0 | 0 | 114.3 | P512 N542 L563 | P512-E544 WeakPolarHBondContact CD-OE1 3.49Å; N542-E544 PolarHBondContact O-N 2.95Å; E544-L563 PolarHBondContact O-N 2.69Å |
| 545 | S | 92.3 | Very high | 89.7 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.4 | -172.5 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | N542 L561 | N542-S545 PolarHBondContact N-O 2.85Å; S545-L561 CarbonylContact C-O 3.4Å; S545-L561 WeakPolarHBondContact CA-O 3.03Å; S545-L561 WeakPolarHBondContact CB-O 3.41Å |
| 546 | L | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 108.7 | 164.4 | -177.1 | 71.3 | 0 | 0 | 0 | 108.3 | F539 L541 W548 L561 L563 L584 L599 L601 F616 | F539-L546 HydrophobicContact CB-CD1 4.24Å; F539-L546 HydrophobicContact CD1-CD1 3.72Å; F539-L546 HydrophobicContact CD1-CD2 3.77Å; F539-L546 HydrophobicContact CD1-CG 3.71Å; F539-L546 HydrophobicContact CE1-CD2 3.91Å; F539-L546 HydrophobicContact CE1-CG 4.25Å; F539-L546 HydrophobicContact CG-CD1 4.46Å; L541-L546 HydrophobicContact CB-CD1 3.95Å; L541-L546 HydrophobicContact CD1-CB 4.34Å; L541-L546 HydrophobicContact CD1-CD1 4Å; L546-W548 HydrophobicContact CG-CE3 4.49Å; L546-L561 HydrophobicContact CB-CB 4.36Å; L546-L561 PolarHBondContact N-O 3.24Å; L546-L561 PolarHBondContact O-N 3.37Å; L546-L563 HydrophobicContact CB-CD2 3.87Å; L546-L584 HydrophobicContact CD2-CD1 3.79Å; L546-L599 HydrophobicContact CD2-CD2 4.4Å; L546-L601 HydrophobicContact CD2-CD1 4.16Å; L546-F616 HydrophobicContact CB-CE1 4.48Å; L546-F616 HydrophobicContact CD1-CE1 4.11Å; L546-F616 HydrophobicContact CD1-CZ 3.81Å; L546-F616 HydrophobicContact CD2-CE1 4.01Å; L546-F616 HydrophobicContact CD2-CZ 3.72Å; L546-F616 HydrophobicContact CG-CE1 4.43Å; L546-F616 HydrophobicContact CG-CZ 4.31Å |
| 547 | T | 93.5 | Very high | 90.6 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.4 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | F539 V540 Y549 K557 Y559 V560 | F539-T547 CarbonylContact C-O 3.57Å; F539-T547 WeakPolarHBondContact CA-O 3.25Å; V540-T547 PolarHBondContact N-O 2.79Å; V540-T547 PolarHBondContact O-N 2.86Å; T547-Y549 HydrophobicContact CG2-CD2 4.28Å; T547-Y549 HydrophobicContact CG2-CE1 4.34Å; T547-Y549 HydrophobicContact CG2-CE2 3.57Å; T547-K557 HydrophobicContact CG2-CD 3.88Å; T547-K557 HydrophobicContact CG2-CG 3.75Å; T547-Y559 WeakPolarHBondContact CA-O 3.41Å; T547-Y559 WeakPolarHBondContact CG2-O 3.44Å; T547-V560 HydrophobicContact CG2-CG2 4.13Å |
| 548 | W | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.4 | 169.4 | 62.5 | 96.2 | 0 | 0 | 0 | 113.3 | F537 W538 F539 L546 R558 Y559 L561 Y593 L599 | F537-W548 HydrophobicContact CB-CB 4.06Å; F537-W548 HydrophobicContact CB-CG 4.31Å; F537-W548 AromaticContact CD1-CD1 3.97Å; F537-W548 AromaticContact CG-CD1 3.77Å; W538-W548 CarbonylContact O-C 3.53Å; W538-W548 VanDerWaalsContact O-CA 3.22Å; W538-W548 WeakPolarHBondContact O-CA 3.38Å; F539-W548 HydrophobicContact CD1-CB 3.67Å; F539-W548 HydrophobicContact CD1-CD2 4.4Å; F539-W548 HydrophobicContact CD1-CE3 4.07Å; F539-W548 HydrophobicContact CD1-CG 4.32Å; F539-W548 HydrophobicContact CD2-CB 4.05Å; F539-W548 HydrophobicContact CE1-CB 3.67Å; F539-W548 AromaticContact CE1-CD2 3.71Å; F539-W548 HydrophobicContact CE1-CD2 3.71Å; F539-W548 AromaticContact CE1-CE3 3.51Å; F539-W548 HydrophobicContact CE1-CE3 3.51Å; F539-W548 AromaticContact CE1-CG 3.84Å; F539-W548 HydrophobicContact CE1-CG 3.84Å; F539-W548 HydrophobicContact CE1-CZ3 4.26Å; F539-W548 HydrophobicContact CE2-CB 4.05Å; F539-W548 HydrophobicContact CE2-CG 4.47Å; F539-W548 HydrophobicContact CG-CB 3.88Å; F539-W548 HydrophobicContact CZ-CB 3.85Å; F539-W548 HydrophobicContact CZ-CD2 4.07Å; F539-W548 HydrophobicContact CZ-CE3 4.31Å; F539-W548 AromaticContact CZ-CG 3.91Å; F539-W548 HydrophobicContact CZ-CG 3.91Å; L546-W548 HydrophobicContact CG-CE3 4.49Å; W548-R558 HydrophobicContact CG-CB 4.5Å; W548-R558 WeakPolarHBondContact O-CB 3.4Å; W548-R558 PolarHBondContact O-N 3.19Å; W548-Y559 AromaticContact CH2-CD1 3.15Å; W548-Y559 HydrophobicContact CH2-CD1 3.15Å; W548-Y559 AromaticContact CH2-CE1 3.99Å; W548-Y559 HydrophobicContact CH2-CE1 3.99Å; W548-Y559 AromaticContact CH2-CG 3.64Å; W548-Y559 HydrophobicContact CH2-CG 3.64Å; W548-Y559 AromaticContact CZ2-CD1 3.65Å; W548-Y559 HydrophobicContact CZ2-CD1 3.65Å; W548-Y559 AromaticContact CZ2-CG 3.6Å; W548-Y559 HydrophobicContact CZ2-CG 3.6Å; W548-Y559 AromaticContact CZ3-CD1 3.67Å; W548-Y559 HydrophobicContact CZ3-CD1 3.67Å; W548-Y559 HydrophobicContact CZ3-CG 4.3Å; W548-Y559 PolarHBondContact N-O 3.07Å; W548-Y559 VanDerWaalsContact N-O 3.13Å; W548-Y559 PolarHBondContact O-N 3.32Å; W548-L561 HydrophobicContact CH2-CB 4.49Å; W548-L561 HydrophobicContact CZ3-CB 3.91Å; W548-Y593 AromaticContact CH2-CD2 3.86Å; W548-Y593 HydrophobicContact CH2-CD2 3.86Å; W548-Y593 HydrophobicContact CH2-CE2 4.25Å; W548-Y593 HydrophobicContact CH2-CG 4.4Å; W548-Y593 AromaticContact CZ2-CD2 3.63Å; W548-Y593 HydrophobicContact CZ2-CD2 3.63Å; W548-Y593 AromaticContact CZ2-CE2 3.56Å; W548-Y593 HydrophobicContact CZ2-CE2 3.56Å; W548-Y593 HydrophobicContact CZ2-CG 4.29Å; W548-L599 HydrophobicContact CH2-CD1 4.3Å; W548-L599 HydrophobicContact CH2-CD2 3.74Å; W548-L599 HydrophobicContact CZ3-CD2 3.82Å |
| 549 | Y | 92.8 | Very high | 90.3 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 11% | 0.114 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 159.3 | -175.5 | -59.3 | -93.5 | 0 | 0 | 0 | 109.6 | F537 W538 V540 T547 D551 E554 E556 K557 | F537-Y549 WeakPolarHBondContact CA-O 3.34Å; F537-Y549 WeakPolarHBondContact CB-O 3.4Å; F537-Y549 WeakPolarHBondContact CD1-O 3.27Å; W538-Y549 PolarHBondContact N-O 3.01Å; W538-Y549 PolarHBondContact O-N 2.84Å; V540-Y549 HydrophobicContact CB-CE2 4.1Å; V540-Y549 HydrophobicContact CG2-CD2 3.99Å; V540-Y549 HydrophobicContact CG2-CE2 3.6Å; T547-Y549 HydrophobicContact CG2-CD2 4.28Å; T547-Y549 HydrophobicContact CG2-CE1 4.34Å; T547-Y549 HydrophobicContact CG2-CE2 3.57Å; Y549-D551 VanDerWaalsContact CB-O 3.3Å; Y549-D551 WeakPolarHBondContact CB-O 3.36Å; Y549-D551 PolarHBondContact O-N 3.09Å; Y549-E554 VanDerWaalsContact CD1-C 3.46Å; Y549-E554 VanDerWaalsContact CD1-CA 3.48Å; Y549-E554 HydrophobicContact CD1-CB 4.02Å; Y549-E554 HydrophobicContact CD1-CG 4.47Å; Y549-E554 WeakPolarHBondContact CD1-O 3.46Å; Y549-E554 HydrophobicContact CD2-CB 4.29Å; Y549-E554 HydrophobicContact CD2-CG 3.86Å; Y549-E554 HydrophobicContact CE1-CB 4Å; Y549-E554 WeakPolarHBondContact CE1-O 3.43Å; Y549-E554 HydrophobicContact CE2-CB 4.26Å; Y549-E554 HydrophobicContact CE2-CG 3.95Å; Y549-E554 HydrophobicContact CG-CB 4.17Å; Y549-E554 HydrophobicContact CG-CG 4.13Å; Y549-E556 VanDerWaalsContact CA-O 3.3Å; Y549-E556 WeakPolarHBondContact CA-O 3.5Å; Y549-K557 HydrophobicContact CD1-CB 3.97Å; Y549-K557 HydrophobicContact CE1-CB 3.8Å; Y549-K557 HydrophobicContact CE1-CG 4.21Å |
| 550 | K | 88.5 | Confident | 90.2 | Very high | 98 Ų | 98 | 56.5 Ų | 56.5 | 43% | 0.426 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -59.4 | -34.9 | 174.6 | -178.4 | -179.7 | 165.4 | -162 | 0 | 112.3 | E556 | K550-E556 HydrophobicContact CB-CB 4.07Å; K550-E556 WeakPolarHBondContact CD-OE2 3.44Å; K550-E556 PolarHBondContact N-O 3.33Å; K550-E556 IonicContact NZ-OE2 2.88Å |
| 551 | D | 88.4 | Confident | 90.1 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -151.3 | 172.9 | -175.4 | 44.4 | 42.6 | 0 | 0 | 0 | 110.6 | W521 W538 Y549 E553 E554 | W521-D551 HydrophobicContact CH2-CB 4.44Å; W538-D551 WeakPolarHBondContact CB-O 3.39Å; Y549-D551 VanDerWaalsContact CB-O 3.3Å; Y549-D551 WeakPolarHBondContact CB-O 3.36Å; Y549-D551 PolarHBondContact O-N 3.09Å; D551-E553 PolarHBondContact O-N 2.88Å; D551-E554 PolarHBondContact O-N 2.86Å |
| 552 | D | 89.9 | Confident | 90 | Very high | 93 Ų | 93 | 61.9 Ų | 61.9 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -5.9 | 179.8 | 63.3 | -21.5 | 0 | 0 | 0 | 114 | W521 W538 E554 | W521-D552 HydrophobicContact CZ2-CB 4.06Å; W538-D552 HydrophobicContact CD2-CB 3.68Å; W538-D552 HydrophobicContact CE3-CB 3.83Å; W538-D552 HydrophobicContact CG-CB 4.02Å; W538-D552 HydrophobicContact CH2-CB 4.45Å; W538-D552 HydrophobicContact CZ2-CB 4.33Å; W538-D552 HydrophobicContact CZ3-CB 4.21Å; D552-E554 PolarHBondContact O-N 3.48Å |
| 553 | E | 89.4 | Confident | 90 | Very high | 116 Ų | 116 | 61.6 Ų | 61.6 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12.6 | 169.7 | -57.5 | -163 | 144.5 | 0 | 0 | 112.6 | D551 K555 | D551-E553 PolarHBondContact O-N 2.88Å; E553-K555 HydrophobicContact CB-CD 4.18Å; E553-K555 HydrophobicContact CB-CG 4.05Å; E553-K555 PolarHBondContact O-N 3.33Å; E553-K555 IonicContact OE1-NZ 2.67Å; E553-K555 WeakPolarHBondContact OE2-CD 3.12Å; E553-K555 VanDerWaalsContact OE2-CE 3.25Å; E553-K555 WeakPolarHBondContact OE2-CE 3.31Å; E553-K555 IonicContact OE2-NZ 3.25Å; E553-K555 PolarHBondContact OE2-NZ 3.46Å |
| 554 | E | 87.9 | Confident | 90.3 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | trans | 56.4 | 22.1 | 178.1 | -65.5 | 176.8 | -156.3 | 0 | 0 | 114 | K519 W538 V540 Y549 D551 D552 | K519-E554 VanDerWaalsContact CD-OE1 3.32Å; K519-E554 WeakPolarHBondContact CD-OE1 3.16Å; K519-E554 WeakPolarHBondContact CE-OE1 3.44Å; K519-E554 IonicContact NZ-OE1 3.56Å; K519-E554 PolarHBondContact NZ-OE1 3.31Å; K519-E554 IonicContact NZ-OE2 2.63Å; K519-E554 PolarHBondContact NZ-OE2 2.92Å; W538-E554 PolarHBondContact NE1-OE1 3.03Å; V540-E554 HydrophobicContact CG2-CG 4.42Å; Y549-E554 VanDerWaalsContact CD1-C 3.46Å; Y549-E554 VanDerWaalsContact CD1-CA 3.48Å; Y549-E554 HydrophobicContact CD1-CB 4.02Å; Y549-E554 HydrophobicContact CD1-CG 4.47Å; Y549-E554 WeakPolarHBondContact CD1-O 3.46Å; Y549-E554 HydrophobicContact CD2-CB 4.29Å; Y549-E554 HydrophobicContact CD2-CG 3.86Å; Y549-E554 HydrophobicContact CE1-CB 4Å; Y549-E554 WeakPolarHBondContact CE1-O 3.43Å; Y549-E554 HydrophobicContact CE2-CB 4.26Å; Y549-E554 HydrophobicContact CE2-CG 3.95Å; Y549-E554 HydrophobicContact CG-CB 4.17Å; Y549-E554 HydrophobicContact CG-CG 4.13Å; D551-E554 PolarHBondContact O-N 2.86Å; D552-E554 PolarHBondContact O-N 3.48Å | ||
| 555 | K | 86.3 | Confident | 90.3 | Very high | 158 Ų | 158 | 65.4 Ų | 65.4 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | trans | -83.3 | -41 | -178.1 | -67.7 | 179.6 | -171.2 | 156.6 | 0 | 113.2 | E553 | E553-K555 HydrophobicContact CB-CD 4.18Å; E553-K555 HydrophobicContact CB-CG 4.05Å; E553-K555 PolarHBondContact O-N 3.33Å; E553-K555 IonicContact OE1-NZ 2.67Å; E553-K555 WeakPolarHBondContact OE2-CD 3.12Å; E553-K555 VanDerWaalsContact OE2-CE 3.25Å; E553-K555 WeakPolarHBondContact OE2-CE 3.31Å; E553-K555 IonicContact OE2-NZ 3.25Å; E553-K555 PolarHBondContact OE2-NZ 3.46Å | ||
| 556 | E | 89.1 | Confident | 90.3 | Very high | 76 Ų | 76 | 65.1 Ų | 65.1 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -108.9 | 92.1 | -176.8 | -165.2 | -170.2 | 145.2 | 0 | 0 | 110.8 | Y549 K550 R558 | Y549-E556 VanDerWaalsContact CA-O 3.3Å; Y549-E556 WeakPolarHBondContact CA-O 3.5Å; K550-E556 HydrophobicContact CB-CB 4.07Å; K550-E556 WeakPolarHBondContact CD-OE2 3.44Å; K550-E556 PolarHBondContact N-O 3.33Å; K550-E556 IonicContact NZ-OE2 2.88Å; E556-R558 PolarHBondContact O-N 2.94Å; E556-R558 IonicContact OE1-CZ 2.81Å; E556-R558 IonicContact OE1-NE 3.9Å; E556-R558 IonicContact OE1-NH1 2.91Å; E556-R558 PolarHBondContact OE1-NH1 3.37Å; E556-R558 IonicContact OE1-NH2 2.89Å |
| 557 | K | 90.3 | Very high | 90.2 | Very high | 120 Ų | 120 | 69 Ų | 69 | 52% | 0.522 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 120.9 | 176.2 | -175.2 | 178.4 | -67.2 | -166.2 | 0 | 110.5 | T547 Y549 V560 | T547-K557 HydrophobicContact CG2-CD 3.88Å; T547-K557 HydrophobicContact CG2-CG 3.75Å; Y549-K557 HydrophobicContact CD1-CB 3.97Å; Y549-K557 HydrophobicContact CE1-CB 3.8Å; Y549-K557 HydrophobicContact CE1-CG 4.21Å; K557-V560 HydrophobicContact CD-CG2 3.58Å; K557-V560 HydrophobicContact CG-CG2 4.32Å |
| 558 | R | 90.3 | Very high | 90.1 | Very high | 109 Ų | 109 | 68.9 Ų | 68.9 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -38.6 | -178.5 | -64.2 | -62.8 | -148.2 | 173.2 | 9.2 | 112.7 | F537 W548 E556 | F537-R558 HydrophobicContact CD1-CG 3.96Å; F537-R558 HydrophobicContact CE1-CG 3.86Å; W548-R558 HydrophobicContact CG-CB 4.5Å; W548-R558 WeakPolarHBondContact O-CB 3.4Å; W548-R558 PolarHBondContact O-N 3.19Å; E556-R558 PolarHBondContact O-N 2.94Å; E556-R558 IonicContact OE1-CZ 2.81Å; E556-R558 IonicContact OE1-NE 3.9Å; E556-R558 IonicContact OE1-NH1 2.91Å; E556-R558 PolarHBondContact OE1-NH1 3.37Å; E556-R558 IonicContact OE1-NH2 2.89Å |
| 559 | Y | 90.7 | Very high | 89.9 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 30% | 0.302 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 158.6 | 179.8 | -156.8 | -104 | 0 | 0 | 0 | 111.1 | T547 W548 L561 V592 Y593 | T547-Y559 WeakPolarHBondContact CA-O 3.41Å; T547-Y559 WeakPolarHBondContact CG2-O 3.44Å; W548-Y559 AromaticContact CH2-CD1 3.15Å; W548-Y559 HydrophobicContact CH2-CD1 3.15Å; W548-Y559 AromaticContact CH2-CE1 3.99Å; W548-Y559 HydrophobicContact CH2-CE1 3.99Å; W548-Y559 AromaticContact CH2-CG 3.64Å; W548-Y559 HydrophobicContact CH2-CG 3.64Å; W548-Y559 AromaticContact CZ2-CD1 3.65Å; W548-Y559 HydrophobicContact CZ2-CD1 3.65Å; W548-Y559 AromaticContact CZ2-CG 3.6Å; W548-Y559 HydrophobicContact CZ2-CG 3.6Å; W548-Y559 AromaticContact CZ3-CD1 3.67Å; W548-Y559 HydrophobicContact CZ3-CD1 3.67Å; W548-Y559 HydrophobicContact CZ3-CG 4.3Å; W548-Y559 PolarHBondContact N-O 3.07Å; W548-Y559 VanDerWaalsContact N-O 3.13Å; W548-Y559 PolarHBondContact O-N 3.32Å; Y559-L561 HydrophobicContact CD1-CB 4.24Å; Y559-L561 HydrophobicContact CE1-CB 4.23Å; Y559-V592 PolarHBondContact OH-O 3.17Å; Y559-Y593 AromaticContact CD1-CD2 3.89Å; Y559-Y593 HydrophobicContact CD1-CD2 3.89Å; Y559-Y593 HydrophobicContact CD1-CE2 4.31Å; Y559-Y593 AromaticContact CD2-CD2 3.78Å; Y559-Y593 HydrophobicContact CD2-CD2 3.78Å; Y559-Y593 AromaticContact CD2-CE2 3.58Å; Y559-Y593 HydrophobicContact CD2-CE2 3.58Å; Y559-Y593 AromaticContact CE1-CD2 3.81Å; Y559-Y593 HydrophobicContact CE1-CD2 3.81Å; Y559-Y593 AromaticContact CE2-CD2 3.69Å; Y559-Y593 HydrophobicContact CE2-CD2 3.69Å; Y559-Y593 AromaticContact CE2-CE2 3.87Å; Y559-Y593 HydrophobicContact CE2-CE2 3.87Å; Y559-Y593 AromaticContact CG-CD2 3.86Å; Y559-Y593 HydrophobicContact CG-CD2 3.86Å; Y559-Y593 AromaticContact CG-CE2 3.81Å; Y559-Y593 HydrophobicContact CG-CE2 3.81Å; Y559-Y593 AromaticContact CZ-CD2 3.69Å |
| 560 | V | 92.2 | Very high | 89.6 | Confident | 63 Ų | 63 | 78.1 Ų | 78.1 | 38% | 0.382 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.6 | 169.1 | -175.1 | 0 | 0 | 0 | 0 | 107.1 | T547 K557 | T547-V560 HydrophobicContact CG2-CG2 4.13Å; K557-V560 HydrophobicContact CD-CG2 3.58Å; K557-V560 HydrophobicContact CG-CG2 4.32Å |
| 561 | L | 92.4 | Very high | 89.3 | Confident | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.9 | 173.2 | 175.7 | 61.9 | 0 | 0 | 0 | 108.9 | S545 L546 W548 Y559 L566 L584 V592 L599 | S545-L561 CarbonylContact C-O 3.4Å; S545-L561 WeakPolarHBondContact CA-O 3.03Å; S545-L561 WeakPolarHBondContact CB-O 3.41Å; L546-L561 HydrophobicContact CB-CB 4.36Å; L546-L561 PolarHBondContact N-O 3.24Å; L546-L561 PolarHBondContact O-N 3.37Å; W548-L561 HydrophobicContact CH2-CB 4.49Å; W548-L561 HydrophobicContact CZ3-CB 3.91Å; Y559-L561 HydrophobicContact CD1-CB 4.24Å; Y559-L561 HydrophobicContact CE1-CB 4.23Å; L561-L566 HydrophobicContact CD1-CD1 4.11Å; L561-L566 HydrophobicContact CD2-CD1 3.61Å; L561-L566 HydrophobicContact CG-CD1 3.76Å; L561-L584 HydrophobicContact CD2-CD1 4.1Å; L561-V592 HydrophobicContact CD1-CG1 3.7Å; L561-V592 WeakPolarHBondContact CD1-O 3.37Å; L561-V592 HydrophobicContact CD2-CG1 3.6Å; L561-V592 HydrophobicContact CG-CG1 4.32Å; L561-L599 HydrophobicContact CD2-CD2 3.81Å |
| 562 | L | 91.8 | Very high | 88.1 | Confident | 111 Ų | 111 | 82.1 Ų | 82.1 | 58% | 0.581 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 138.6 | 172.1 | -63 | 176.6 | 0 | 0 | 0 | 109.4 | L566 Y586 | L562-L566 VanDerWaalsContact O-CD1 3.31Å; L562-L566 WeakPolarHBondContact O-CD1 3.22Å; L562-Y586 PolarHBondContact O-OH 3.31Å |
| 563 | L | 90.2 | Very high | 86.5 | Confident | 7 Ų | 7 | 81.3 Ų | 81.3 | 4% | 0.037 | 40% | 0.396 | C | S | . | . | trans | -82.3 | -22.6 | -174.9 | -61.6 | -179.8 | 0 | 0 | 0 | 113.9 | L541 N542 E544 L546 G565 L566 F616 A619 V621 | L541-L563 HydrophobicContact CD1-CD1 3.55Å; L541-L563 HydrophobicContact CD1-CD2 3.96Å; L541-L563 HydrophobicContact CD1-CG 4.36Å; N542-L563 VanDerWaalsContact O-CD1 3.28Å; N542-L563 WeakPolarHBondContact O-CD1 3.38Å; E544-L563 PolarHBondContact O-N 2.69Å; L546-L563 HydrophobicContact CB-CD2 3.87Å; L563-G565 PolarHBondContact O-N 2.73Å; L563-L566 HydrophobicContact CD2-CD1 4.45Å; L563-L566 WeakPolarHBondContact O-CB 3.18Å; L563-L566 PolarHBondContact O-N 2.97Å; L563-L566 VanDerWaalsContact O-N 3.12Å; L563-F616 HydrophobicContact CD2-CD1 4.39Å; L563-F616 HydrophobicContact CD2-CE1 4.14Å; L563-A619 HydrophobicContact CD1-CB 3.47Å; L563-A619 VanDerWaalsContact CD1-CB 3.47Å; L563-V621 HydrophobicContact CB-CG2 3.87Å; L563-V621 HydrophobicContact CD1-CG2 4.4Å; L563-V621 HydrophobicContact CD2-CG2 4.05Å; L563-V621 HydrophobicContact CG-CG2 4.31Å | ||
| 564 | D | 87.3 | Confident | 84.7 | Confident | 144 Ų | 144 | 78.6 Ų | 78.6 | 77% | 0.77 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 131 | -178 | -170.8 | 20.9 | 0 | 0 | 0 | 110.8 | L566 Y586 | D564-L566 VanDerWaalsContact C-N 3.27Å; D564-L566 PolarHBondContact O-N 2.84Å; D564-Y586 WeakPolarHBondContact O-CE1 3.42Å |
| 565 | G | 85.9 | Confident | 82.7 | Confident | 46 Ų | 46 | 86.1 Ų | 86.1 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | L563 P587 | L563-G565 PolarHBondContact O-N 2.73Å; G565-P587 WeakPolarHBondContact O-CD 3.4Å |
| 566 | L | 91.5 | Very high | 80.8 | Confident | 7 Ų | 7 | 88.5 Ų | 88.5 | 4% | 0.037 | 44% | 0.442 | C | S | . | . | trans | -74.6 | 147.4 | 179 | -75.6 | 170.7 | 0 | 0 | 0 | 112.4 | L561 L562 L563 D564 L584 Y586 V592 V621 | L561-L566 HydrophobicContact CD1-CD1 4.11Å; L561-L566 HydrophobicContact CD2-CD1 3.61Å; L561-L566 HydrophobicContact CG-CD1 3.76Å; L562-L566 VanDerWaalsContact O-CD1 3.31Å; L562-L566 WeakPolarHBondContact O-CD1 3.22Å; L563-L566 HydrophobicContact CD2-CD1 4.45Å; L563-L566 WeakPolarHBondContact O-CB 3.18Å; L563-L566 PolarHBondContact O-N 2.97Å; L563-L566 VanDerWaalsContact O-N 3.12Å; D564-L566 VanDerWaalsContact C-N 3.27Å; D564-L566 PolarHBondContact O-N 2.84Å; L566-L584 HydrophobicContact CD1-CB 4.5Å; L566-L584 HydrophobicContact CD2-CB 4.29Å; L566-Y586 HydrophobicContact CD2-CD1 4.17Å; L566-Y586 HydrophobicContact CD2-CD2 4.04Å; L566-Y586 HydrophobicContact CD2-CE1 4.07Å; L566-Y586 HydrophobicContact CD2-CE2 3.91Å; L566-Y586 HydrophobicContact CD2-CG 4.14Å; L566-Y586 HydrophobicContact CG-CD1 4.45Å; L566-Y586 HydrophobicContact CG-CE1 4Å; L566-Y586 HydrophobicContact CG-CE2 4.47Å; L566-V592 HydrophobicContact CD2-CG1 4.02Å; L566-V592 HydrophobicContact CD2-CG2 3.96Å; L566-V621 HydrophobicContact CB-CG1 3.98Å; L566-V621 HydrophobicContact CB-CG2 4.45Å; L566-V621 WeakPolarHBondContact O-CG1 3.43Å | ||
| 567 | K | 91.6 | Very high | 79 | Confident | 80 Ų | 80 | 87.3 Ų | 87.3 | 35% | 0.348 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 154.4 | 166.9 | -64.6 | -161.8 | -178.7 | -175.6 | 0 | 111.1 | L584 F585 P587 Y622 A624 | K567-L584 CarbonylContact O-C 3.58Å; K567-L584 WeakPolarHBondContact O-CA 3.13Å; K567-F585 HydrophobicContact CB-CD1 4.39Å; K567-F585 HydrophobicContact CB-CE1 3.85Å; K567-F585 HydrophobicContact CB-CZ 4.06Å; K567-F585 PolarHBondContact N-O 3.08Å; K567-F585 WeakPolarHBondContact O-CD1 3.28Å; K567-F585 PolarHBondContact O-N 3.14Å; K567-P587 HydrophobicContact CD-CG 3.7Å; K567-P587 HydrophobicContact CG-CG 3.77Å; K567-Y622 CarbonylContact C-O 3.43Å; K567-Y622 VanDerWaalsContact CA-O 3.24Å; K567-Y622 WeakPolarHBondContact CA-O 3.47Å; K567-Y622 WeakPolarHBondContact CB-O 3.29Å; K567-A624 HydrophobicContact CB-CB 4.39Å; K567-A624 HydrophobicContact CD-CB 4.41Å |
| 568 | I | 91.9 | Very high | 77.4 | Confident | 5 Ų | 5 | 91 Ų | 91 | 3% | 0.026 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.3 | 171.3 | -70.8 | 161.5 | 0 | 0 | 0 | 109.3 | F582 A583 L584 K613 F616 V621 Y622 P623 A624 | I568-F582 HydrophobicContact CG2-CB 4.34Å; I568-F582 HydrophobicContact CG2-CD2 4.21Å; I568-A583 CarbonylContact C-O 3.58Å; I568-A583 WeakPolarHBondContact CA-O 3.15Å; I568-L584 HydrophobicContact CD1-CD2 4.42Å; I568-L584 HydrophobicContact CG1-CD2 3.52Å; I568-K613 HydrophobicContact CG2-CG 4.35Å; I568-F616 HydrophobicContact CD1-CB 3.36Å; I568-F616 HydrophobicContact CD1-CD2 4.3Å; I568-F616 HydrophobicContact CD1-CG 3.95Å; I568-F616 HydrophobicContact CG1-CB 4.47Å; I568-V621 HydrophobicContact CD1-CG1 4.08Å; I568-V621 HydrophobicContact CG1-CG1 3.79Å; I568-Y622 PolarHBondContact N-O 3.15Å; I568-P623 CarbonylContact O-C 3.46Å; I568-P623 WeakPolarHBondContact O-CA 3.32Å; I568-A624 PolarHBondContact O-N 3.14Å |
| 569 | R | 90.2 | Very high | 76.2 | Confident | 125 Ų | 125 | 90.6 Ų | 90.6 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.6 | 161.3 | 62.5 | 179.5 | -72.3 | 171 | -1.2 | 110.3 | F582 A583 F585 | R569-F582 WeakPolarHBondContact O-CA 3.43Å; R569-A583 HydrophobicContact CG-CB 3.82Å; R569-A583 PolarHBondContact N-O 3.24Å; R569-A583 PolarHBondContact O-N 3.31Å; R569-F585 HydrophobicContact CB-CD1 4.25Å; R569-F585 HydrophobicContact CB-CE1 3.71Å; R569-F585 HydrophobicContact CG-CD1 3.82Å; R569-F585 HydrophobicContact CG-CE1 3.76Å |
| 570 | D | 86.7 | Confident | 75.9 | Confident | 99 Ų | 99 | 90.2 Ų | 90.2 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 141.5 | 166.6 | -70.4 | -39.4 | 0 | 0 | 0 | 110.4 | K613 | D570-K613 WeakPolarHBondContact OD1-CE 3.43Å; D570-K613 IonicContact OD1-NZ 2.82Å; D570-K613 PolarHBondContact OD1-NZ 3.33Å; D570-K613 IonicContact OD2-NZ 3.97Å |
| 571 | I | 80.8 | Confident | 75.6 | Confident | 34 Ų | 34 | 87.7 Ų | 87.7 | 17% | 0.174 | 45% | 0.453 | C | S | . | . | trans | -98.5 | 113.2 | 170.9 | -58.4 | 172.7 | 0 | 0 | 0 | 106.1 | T573 A581 A583 E600 | I571-T573 PolarHBondContact O-N 3.47Å; I571-T573 VanDerWaalsContact O-N 3.15Å; I571-A581 HydrophobicContact CB-CB 4.39Å; I571-A581 HydrophobicContact CD1-CB 4.01Å; I571-A583 HydrophobicContact CD1-CB 3.85Å; I571-A583 HydrophobicContact CG1-CB 3.78Å; I571-E600 HydrophobicContact CD1-CB 3.59Å; I571-E600 HydrophobicContact CD1-CG 3.5Å; I571-E600 VanDerWaalsContact CD1-CG 3.5Å | ||
| 572 | E | 63.5 | Low | 75.6 | Confident | 190 Ų | 190 | 87.4 Ų | 87.4 | 89% | 0.888 | 45% | 0.452 | S | S | * | . | trans | -66.6 | 113.3 | 170.1 | -70.2 | -178 | 177.7 | 0 | 0 | 108.4 | G574 | E572-G574 PolarHBondContact O-N 3.09Š| ||
| 573 | T | 56.3 | Low | 75.6 | Confident | 76 Ų | 76 | 82.1 Ų | 82.1 | 47% | 0.466 | 42% | 0.424 | S | S | . | . | trans | -75.1 | 109.9 | 173.4 | 35.5 | 0 | 0 | 0 | 0 | 108.6 | I571 K579 | I571-T573 PolarHBondContact O-N 3.47Å; I571-T573 VanDerWaalsContact O-N 3.15Å; T573-K579 HydrophobicContact CG2-CB 4.32Å; T573-K579 WeakPolarHBondContact CG2-O 3.4Å | ||
| 574 | G | 51.4 | Low | 75.7 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | trans | -56 | 156.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E572 F576 | E572-G574 PolarHBondContact O-N 3.09Å; G574-F576 PolarHBondContact O-N 3.3Å | ||
| 575 | F | 46.1 | Very low | 76 | Confident | 217 Ų | 217 | 76.6 Ų | 76.6 | 95% | 0.952 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -43.1 | -0.8 | -167.3 | -98.1 | -99.3 | 0 | 0 | 0 | 119.9 | ||
| 576 | F | 45.8 | Very low | 76.2 | Confident | 209 Ų | 209 | 76.5 Ų | 76.5 | 92% | 0.917 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -123.2 | 90.4 | 177.9 | -74 | -86.9 | 0 | 0 | 0 | 112.2 | G574 | G574-F576 PolarHBondContact O-N 3.3Š|
| 577 | G | 53.1 | Low | 75.9 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | trans | 110.8 | 110.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K579 | G577-K579 VanDerWaalsContact C-N 3.28Å; G577-K579 PolarHBondContact O-N 3.28Å | ||
| 578 | K | 55.7 | Low | 75.7 | Confident | 198 Ų | 198 | 80.4 Ų | 80.4 | 86% | 0.861 | 41% | 0.407 | S | S | * | . | trans | -60.7 | 85.2 | 169.8 | -71.7 | 180 | 177.1 | 179.7 | 0 | 110 | ||||
| 579 | K | 65.3 | Low | 75.1 | Confident | 101 Ų | 101 | 84.3 Ų | 84.3 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | trans | -105.8 | 124.1 | 165.7 | -71.7 | -172.2 | 179.2 | 179.9 | 0 | 108.3 | N534 T573 G577 A581 | N534-K579 PolarHBondContact ND2-NZ 3.25Å; T573-K579 HydrophobicContact CG2-CB 4.32Å; T573-K579 WeakPolarHBondContact CG2-O 3.4Å; G577-K579 VanDerWaalsContact C-N 3.28Å; G577-K579 PolarHBondContact O-N 3.28Å; K579-A581 PolarHBondContact O-N 3.06Å | ||
| 580 | H | 83.6 | Confident | 74.8 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 32% | 0.319 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 102.2 | 177.4 | -57.5 | -72.2 | 0 | 0 | 0 | 107.8 | C602 A603 S605 A606 V609 | H580-C602 WeakPolarHBondContact O-CA 3.34Å; H580-A603 PolarHBondContact O-N 3.39Å; H580-S605 VanDerWaalsContact CD2-CA 3.48Å; H580-S605 WeakPolarHBondContact CD2-CA 3.48Å; H580-A606 PolarHBondContact CD2-N 3.38Å; H580-V609 HydrophobicContact CB-CG2 3.53Å; H580-V609 VanDerWaalsContact O-CG2 3.26Å; H580-V609 WeakPolarHBondContact O-CG2 3.13Å |
| 581 | A | 86.9 | Confident | 74.9 | Confident | 10 Ų | 10 | 83.2 Ų | 83.2 | 8% | 0.083 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I571 K579 L601 | I571-A581 HydrophobicContact CB-CB 4.39Å; I571-A581 HydrophobicContact CD1-CB 4.01Å; K579-A581 PolarHBondContact O-N 3.06Å; A581-L601 VanDerWaalsContact CA-O 3.23Å; A581-L601 WeakPolarHBondContact CA-O 3.33Å |
| 582 | F | 91.5 | Very high | 75.3 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.4 | 172.5 | 63.6 | -80 | 0 | 0 | 0 | 109 | I568 R569 L601 V609 W612 K613 F616 | I568-F582 HydrophobicContact CG2-CB 4.34Å; I568-F582 HydrophobicContact CG2-CD2 4.21Å; R569-F582 WeakPolarHBondContact O-CA 3.43Å; F582-L601 HydrophobicContact CD1-CB 4.47Å; F582-L601 HydrophobicContact CE1-CB 3.97Å; F582-L601 HydrophobicContact CE2-CB 4.15Å; F582-L601 HydrophobicContact CE2-CD1 3.8Å; F582-L601 HydrophobicContact CZ-CB 3.79Å; F582-L601 HydrophobicContact CZ-CD1 3.82Å; F582-L601 HydrophobicContact CZ-CG 4.43Å; F582-L601 PolarHBondContact N-O 2.84Å; F582-L601 PolarHBondContact O-N 3.44Å; F582-V609 HydrophobicContact CD1-CG1 3.82Å; F582-V609 HydrophobicContact CD1-CG2 4.32Å; F582-W612 HydrophobicContact CE1-CB 4.18Å; F582-W612 HydrophobicContact CZ-CB 4.07Å; F582-K613 HydrophobicContact CG-CG 4.45Å; F582-F616 AromaticContact CE2-CD2 3.82Å; F582-F616 HydrophobicContact CE2-CD2 3.82Å; F582-F616 AromaticContact CE2-CE2 3.54Å; F582-F616 HydrophobicContact CE2-CE2 3.54Å; F582-F616 HydrophobicContact CE2-CZ 4.41Å; F582-F616 HydrophobicContact CZ-CD2 4.15Å; F582-F616 AromaticContact CZ-CE2 3.68Å; F582-F616 HydrophobicContact CZ-CE2 3.68Å |
| 583 | A | 92.1 | Very high | 76.3 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I568 R569 I571 Q598 L599 E600 | I568-A583 CarbonylContact C-O 3.58Å; I568-A583 WeakPolarHBondContact CA-O 3.15Å; R569-A583 HydrophobicContact CG-CB 3.82Å; R569-A583 PolarHBondContact N-O 3.24Å; R569-A583 PolarHBondContact O-N 3.31Å; I571-A583 HydrophobicContact CD1-CB 3.85Å; I571-A583 HydrophobicContact CG1-CB 3.78Å; A583-Q598 HydrophobicContact CB-CB 4.31Å; A583-Q598 HydrophobicContact CB-CG 4.44Å; A583-L599 CarbonylContact C-O 3.52Å; A583-L599 VanDerWaalsContact CA-O 3.31Å; A583-L599 WeakPolarHBondContact CA-O 3.4Å; A583-E600 HydrophobicContact CB-CG 4.31Å |
| 584 | L | 93.2 | Very high | 77.7 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.8 | 165.5 | -58.9 | 174.5 | 0 | 0 | 0 | 109.1 | L546 L561 L566 K567 I568 Q598 L599 L601 F616 V621 | L546-L584 HydrophobicContact CD2-CD1 3.79Å; L561-L584 HydrophobicContact CD2-CD1 4.1Å; L566-L584 HydrophobicContact CD1-CB 4.5Å; L566-L584 HydrophobicContact CD2-CB 4.29Å; K567-L584 CarbonylContact O-C 3.58Å; K567-L584 WeakPolarHBondContact O-CA 3.13Å; I568-L584 HydrophobicContact CD1-CD2 4.42Å; I568-L584 HydrophobicContact CG1-CD2 3.52Å; L584-Q598 CarbonylContact O-C 3.51Å; L584-Q598 WeakPolarHBondContact O-CA 3.45Å; L584-L599 HydrophobicContact CB-CB 4.27Å; L584-L599 HydrophobicContact CD1-CD2 4.45Å; L584-L599 PolarHBondContact N-O 2.82Å; L584-L599 PolarHBondContact O-N 2.82Å; L584-L601 HydrophobicContact CD1-CD1 3.93Å; L584-L601 HydrophobicContact CG-CD1 4.33Å; L584-F616 HydrophobicContact CD1-CE1 3.71Å; L584-F616 HydrophobicContact CD1-CZ 3.79Å; L584-F616 HydrophobicContact CD2-CD1 4.19Å; L584-F616 HydrophobicContact CD2-CE1 4.13Å; L584-F616 HydrophobicContact CD2-CZ 4.41Å; L584-V621 HydrophobicContact CD2-CG1 3.98Å |
| 585 | F | 92.6 | Very high | 79.3 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 153.4 | -179.1 | 74.5 | -75.1 | 0 | 0 | 0 | 112.1 | K567 R569 Q598 A624 | K567-F585 HydrophobicContact CB-CD1 4.39Å; K567-F585 HydrophobicContact CB-CE1 3.85Å; K567-F585 HydrophobicContact CB-CZ 4.06Å; K567-F585 PolarHBondContact N-O 3.08Å; K567-F585 WeakPolarHBondContact O-CD1 3.28Å; K567-F585 PolarHBondContact O-N 3.14Å; R569-F585 HydrophobicContact CB-CD1 4.25Å; R569-F585 HydrophobicContact CB-CE1 3.71Å; R569-F585 HydrophobicContact CG-CD1 3.82Å; R569-F585 HydrophobicContact CG-CE1 3.76Å; F585-Q598 HydrophobicContact CB-CB 3.81Å; F585-A624 HydrophobicContact CE1-CB 3.79Å; F585-A624 HydrophobicContact CZ-CB 3.51Å |
| 586 | Y | 91.2 | Very high | 81.2 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | trans | -85.4 | 131.7 | 168.7 | -71.1 | -73.2 | 0 | 0 | 0 | 110 | L562 D564 L566 D588 N589 H590 V592 | L562-Y586 PolarHBondContact O-OH 3.31Å; D564-Y586 WeakPolarHBondContact O-CE1 3.42Å; L566-Y586 HydrophobicContact CD2-CD1 4.17Å; L566-Y586 HydrophobicContact CD2-CD2 4.04Å; L566-Y586 HydrophobicContact CD2-CE1 4.07Å; L566-Y586 HydrophobicContact CD2-CE2 3.91Å; L566-Y586 HydrophobicContact CD2-CG 4.14Å; L566-Y586 HydrophobicContact CG-CD1 4.45Å; L566-Y586 HydrophobicContact CG-CE1 4Å; L566-Y586 HydrophobicContact CG-CE2 4.47Å; Y586-D588 WeakPolarHBondContact CB-OD1 3.43Å; Y586-D588 PolarHBondContact O-N 3.17Å; Y586-N589 PolarHBondContact O-N 3.29Å; Y586-H590 HydrophobicContact CD2-CB 4.12Å; Y586-H590 HydrophobicContact CG-CB 4.31Å; Y586-V592 HydrophobicContact CD2-CB 4.48Å; Y586-V592 HydrophobicContact CD2-CG2 3.64Å; Y586-V592 HydrophobicContact CE2-CG2 4.08Å | ||
| 587 | P | 85.5 | Confident | 83.2 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 49% | 0.494 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.4 | 178.4 | -25.9 | 34.8 | 0 | 0 | 0 | 114.8 | G565 K567 N589 | G565-P587 WeakPolarHBondContact O-CD 3.4Å; K567-P587 HydrophobicContact CD-CG 3.7Å; K567-P587 HydrophobicContact CG-CG 3.77Å; P587-N589 PolarHBondContact O-N 2.83Å |
| 588 | D | 85.5 | Confident | 85 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 1.3 | 175.9 | 63 | 9.1 | 0 | 0 | 0 | 113.5 | Y586 H590 | Y586-D588 WeakPolarHBondContact CB-OD1 3.43Å; Y586-D588 PolarHBondContact O-N 3.17Å; D588-H590 VanDerWaalsContact C-N 3.26Å; D588-H590 VanDerWaalsContact CG-CG 3.48Å; D588-H590 PolarHBondContact O-N 3Å; D588-H590 VanDerWaalsContact OD1-CB 3.25Å; D588-H590 WeakPolarHBondContact OD1-CB 3.49Å; D588-H590 IonicContact OD1-CD2 3.58Å; D588-H590 IonicContact OD1-CG 3.22Å; D588-H590 VanDerWaalsContact OD1-CG 3.22Å; D588-H590 PolarHBondContact OD1-N 2.94Å; D588-H590 IonicContact OD1-ND1 3.71Å; D588-H590 IonicContact OD2-CD2 3.74Å; D588-H590 IonicContact OD2-CE1 3.21Å; D588-H590 PolarHBondContact OD2-CE1 2.77Å; D588-H590 IonicContact OD2-CG 3.45Å; D588-H590 IonicContact OD2-ND1 3.09Å; D588-H590 PolarHBondContact OD2-ND1 3.1Å; D588-H590 VanDerWaalsContact OD2-ND1 3.09Å; D588-H590 IonicContact OD2-NE2 3.66Å |
| 589 | N | 79.5 | Confident | 86.7 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 47% | 0.465 | 29% | 0.286 | S | S | . | . | trans | 67.6 | 22 | 178.6 | -140.8 | 22.7 | 0 | 0 | 0 | 114 | Y586 P587 K597 | Y586-N589 PolarHBondContact O-N 3.29Å; P587-N589 PolarHBondContact O-N 2.83Å; N589-K597 PolarHBondContact ND2-NZ 3.3Å; N589-K597 WeakPolarHBondContact OD1-CD 3.4Å | ||
| 590 | H | 85.2 | Confident | 87.9 | Confident | 116 Ų | 116 | 55.9 Ų | 55.9 | 54% | 0.537 | 27% | 0.273 | S | S | . | . | trans | -64.1 | 155.2 | 169 | -74.8 | -178.4 | 0 | 0 | 0 | 112.2 | Y586 D588 V592 | Y586-H590 HydrophobicContact CD2-CB 4.12Å; Y586-H590 HydrophobicContact CG-CB 4.31Å; D588-H590 VanDerWaalsContact C-N 3.26Å; D588-H590 VanDerWaalsContact CG-CG 3.48Å; D588-H590 PolarHBondContact O-N 3Å; D588-H590 VanDerWaalsContact OD1-CB 3.25Å; D588-H590 WeakPolarHBondContact OD1-CB 3.49Å; D588-H590 IonicContact OD1-CD2 3.58Å; D588-H590 IonicContact OD1-CG 3.22Å; D588-H590 VanDerWaalsContact OD1-CG 3.22Å; D588-H590 PolarHBondContact OD1-N 2.94Å; D588-H590 IonicContact OD1-ND1 3.71Å; D588-H590 IonicContact OD2-CD2 3.74Å; D588-H590 IonicContact OD2-CE1 3.21Å; D588-H590 PolarHBondContact OD2-CE1 2.77Å; D588-H590 IonicContact OD2-CG 3.45Å; D588-H590 IonicContact OD2-ND1 3.09Å; D588-H590 PolarHBondContact OD2-ND1 3.1Å; D588-H590 VanDerWaalsContact OD2-ND1 3.09Å; D588-H590 IonicContact OD2-NE2 3.66Å; H590-V592 PolarHBondContact O-N 2.75Å | ||
| 591 | N | 89 | Confident | 88.3 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | trans | -69.7 | 125.1 | 178.2 | -65.9 | -11.8 | 0 | 0 | 0 | 110.7 | K594 Y596 | N591-K594 VanDerWaalsContact CB-O 3.26Å; N591-K594 WeakPolarHBondContact CB-O 3.21Å; N591-K594 PolarHBondContact ND2-O 3.5Å; N591-Y596 CarbonylContact C-O 3.58Å; N591-Y596 WeakPolarHBondContact CA-O 3.44Å | ||
| 592 | V | 88.1 | Confident | 88.4 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -85.7 | -44.1 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | Y559 L561 L566 Y586 H590 Y596 K597 L599 | Y559-V592 PolarHBondContact OH-O 3.17Å; L561-V592 HydrophobicContact CD1-CG1 3.7Å; L561-V592 WeakPolarHBondContact CD1-O 3.37Å; L561-V592 HydrophobicContact CD2-CG1 3.6Å; L561-V592 HydrophobicContact CG-CG1 4.32Å; L566-V592 HydrophobicContact CD2-CG1 4.02Å; L566-V592 HydrophobicContact CD2-CG2 3.96Å; Y586-V592 HydrophobicContact CD2-CB 4.48Å; Y586-V592 HydrophobicContact CD2-CG2 3.64Å; Y586-V592 HydrophobicContact CE2-CG2 4.08Å; H590-V592 PolarHBondContact O-N 2.75Å; V592-Y596 PolarHBondContact N-O 2.86Å; V592-K597 WeakPolarHBondContact CG2-O 3.4Å; V592-L599 HydrophobicContact CG1-CB 3.76Å |
| 593 | Y | 85 | Confident | 88.2 | Confident | 17 Ų | 17 | 53 Ų | 53 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -140.4 | 113.4 | -177 | 174.9 | -116.6 | 0 | 0 | 0 | 110 | L524 W548 Y559 D595 Y596 L599 | L524-Y593 HydrophobicContact CD2-CD1 3.99Å; L524-Y593 HydrophobicContact CD2-CE1 3.65Å; W548-Y593 AromaticContact CH2-CD2 3.86Å; W548-Y593 HydrophobicContact CH2-CD2 3.86Å; W548-Y593 HydrophobicContact CH2-CE2 4.25Å; W548-Y593 HydrophobicContact CH2-CG 4.4Å; W548-Y593 AromaticContact CZ2-CD2 3.63Å; W548-Y593 HydrophobicContact CZ2-CD2 3.63Å; W548-Y593 AromaticContact CZ2-CE2 3.56Å; W548-Y593 HydrophobicContact CZ2-CE2 3.56Å; W548-Y593 HydrophobicContact CZ2-CG 4.29Å; Y559-Y593 AromaticContact CD1-CD2 3.89Å; Y559-Y593 HydrophobicContact CD1-CD2 3.89Å; Y559-Y593 HydrophobicContact CD1-CE2 4.31Å; Y559-Y593 AromaticContact CD2-CD2 3.78Å; Y559-Y593 HydrophobicContact CD2-CD2 3.78Å; Y559-Y593 AromaticContact CD2-CE2 3.58Å; Y559-Y593 HydrophobicContact CD2-CE2 3.58Å; Y559-Y593 AromaticContact CE1-CD2 3.81Å; Y559-Y593 HydrophobicContact CE1-CD2 3.81Å; Y559-Y593 AromaticContact CE2-CD2 3.69Å; Y559-Y593 HydrophobicContact CE2-CD2 3.69Å; Y559-Y593 AromaticContact CE2-CE2 3.87Å; Y559-Y593 HydrophobicContact CE2-CE2 3.87Å; Y559-Y593 AromaticContact CG-CD2 3.86Å; Y559-Y593 HydrophobicContact CG-CD2 3.86Å; Y559-Y593 AromaticContact CG-CE2 3.81Å; Y559-Y593 HydrophobicContact CG-CE2 3.81Å; Y559-Y593 AromaticContact CZ-CD2 3.69Å; Y593-D595 PolarHBondContact O-N 3.39Å; Y593-Y596 HydrophobicContact CD1-CD2 4.15Å; Y593-Y596 PolarHBondContact N-O 3.34Å; Y593-Y596 VanDerWaalsContact O-CB 3.3Å; Y593-Y596 WeakPolarHBondContact O-CB 3.13Å; Y593-Y596 WeakPolarHBondContact O-CD2 3.49Å; Y593-Y596 PolarHBondContact O-N 3.41Å; Y593-L599 HydrophobicContact CD1-CD1 3.94Å; Y593-L599 HydrophobicContact CG-CD1 3.9Å |
| 594 | K | 84.8 | Confident | 87.9 | Confident | 124 Ų | 124 | 61.3 Ų | 61.3 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -117.4 | -174.6 | -60.1 | 175.9 | 173 | 172.6 | 0 | 110.8 | N591 | N591-K594 VanDerWaalsContact CB-O 3.26Å; N591-K594 WeakPolarHBondContact CB-O 3.21Å; N591-K594 PolarHBondContact ND2-O 3.5Å |
| 595 | D | 84.9 | Confident | 87.5 | Confident | 139 Ų | 139 | 63.1 Ų | 63.1 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 3.7 | 179.2 | -49.8 | -45.3 | 0 | 0 | 0 | 112.3 | Y593 | Y593-D595 PolarHBondContact O-N 3.39Š|
| 596 | Y | 86.6 | Confident | 87 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -89.2 | 125.3 | -178.9 | -62.5 | -81.8 | 0 | 0 | 0 | 111.6 | N526 N591 V592 Y593 Q598 | N526-Y596 HydrophobicContact CB-CD1 3.95Å; N526-Y596 HydrophobicContact CB-CD2 3.97Å; N526-Y596 HydrophobicContact CB-CE1 4.09Å; N526-Y596 HydrophobicContact CB-CE2 4.11Å; N526-Y596 HydrophobicContact CB-CG 3.91Å; N526-Y596 WeakPolarHBondContact ND2-CB 3.5Å; N526-Y596 WeakPolarHBondContact ND2-CD1 3.45Å; N526-Y596 WeakPolarHBondContact O-CE1 3.4Å; N526-Y596 VanDerWaalsContact O-CE2 3.31Å; N526-Y596 WeakPolarHBondContact O-CE2 3.45Å; N526-Y596 PolarHBondContact O-OH 3.41Å; N591-Y596 CarbonylContact C-O 3.58Å; N591-Y596 WeakPolarHBondContact CA-O 3.44Å; V592-Y596 PolarHBondContact N-O 2.86Å; Y593-Y596 HydrophobicContact CD1-CD2 4.15Å; Y593-Y596 PolarHBondContact N-O 3.34Å; Y593-Y596 VanDerWaalsContact O-CB 3.3Å; Y593-Y596 WeakPolarHBondContact O-CB 3.13Å; Y593-Y596 WeakPolarHBondContact O-CD2 3.49Å; Y593-Y596 PolarHBondContact O-N 3.41Å; Y596-Q598 WeakPolarHBondContact CB-O 3.47Å; Y596-Q598 PolarHBondContact O-N 3.38Å |
| 597 | K | 88.6 | Confident | 86.5 | Confident | 105 Ų | 105 | 66.8 Ų | 66.8 | 46% | 0.457 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -70.8 | -12.8 | 177.1 | -63.1 | -178.9 | 163.7 | -164.2 | 0 | 114.6 | N589 V592 | N589-K597 PolarHBondContact ND2-NZ 3.3Å; N589-K597 WeakPolarHBondContact OD1-CD 3.4Å; V592-K597 WeakPolarHBondContact CG2-O 3.4Å |
| 598 | Q | 90.1 | Very high | 86.7 | Confident | 53 Ų | 53 | 66 Ų | 66 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 154.5 | 175.5 | 68.1 | -174.1 | 13.5 | 0 | 0 | 110 | N526 A583 L584 F585 Y596 E600 | N526-Q598 PolarHBondContact ND2-O 3.17Å; A583-Q598 HydrophobicContact CB-CB 4.31Å; A583-Q598 HydrophobicContact CB-CG 4.44Å; L584-Q598 CarbonylContact O-C 3.51Å; L584-Q598 WeakPolarHBondContact O-CA 3.45Å; F585-Q598 HydrophobicContact CB-CB 3.81Å; Y596-Q598 WeakPolarHBondContact CB-O 3.47Å; Y596-Q598 PolarHBondContact O-N 3.38Å; Q598-E600 HydrophobicContact CG-CG 4.17Å; Q598-E600 PolarHBondContact NE2-OE1 2.98Å |
| 599 | L | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 108.3 | 173.3 | -171.3 | 67.9 | 0 | 0 | 0 | 109.2 | L524 L546 W548 L561 A583 L584 V592 Y593 L601 | L524-L599 HydrophobicContact CD1-CD1 3.47Å; L524-L599 VanDerWaalsContact CD1-CD1 3.47Å; L524-L599 HydrophobicContact CD1-CD2 4.27Å; L524-L599 HydrophobicContact CD1-CG 3.93Å; L524-L599 HydrophobicContact CD2-CD1 3.87Å; L524-L599 HydrophobicContact CG-CD1 3.93Å; L546-L599 HydrophobicContact CD2-CD2 4.4Å; W548-L599 HydrophobicContact CH2-CD1 4.3Å; W548-L599 HydrophobicContact CH2-CD2 3.74Å; W548-L599 HydrophobicContact CZ3-CD2 3.82Å; L561-L599 HydrophobicContact CD2-CD2 3.81Å; A583-L599 CarbonylContact C-O 3.52Å; A583-L599 VanDerWaalsContact CA-O 3.31Å; A583-L599 WeakPolarHBondContact CA-O 3.4Å; L584-L599 HydrophobicContact CB-CB 4.27Å; L584-L599 HydrophobicContact CD1-CD2 4.45Å; L584-L599 PolarHBondContact N-O 2.82Å; L584-L599 PolarHBondContact O-N 2.82Å; V592-L599 HydrophobicContact CG1-CB 3.76Å; Y593-L599 HydrophobicContact CD1-CD1 3.94Å; Y593-L599 HydrophobicContact CG-CD1 3.9Å; L599-L601 HydrophobicContact CD2-CD2 4.28Å; L599-L601 HydrophobicContact CG-CD2 4.24Å; L599-L601 HydrophobicContact CG-CG 4.48Å |
| 600 | E | 91.1 | Very high | 87.2 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.2 | -179.3 | -57.9 | -179.6 | -175.4 | 0 | 0 | 110.5 | Q525 N526 I571 A583 Q598 | Q525-E600 HydrophobicContact CB-CB 3.87Å; Q525-E600 VanDerWaalsContact CD-OE2 3.28Å; Q525-E600 WeakPolarHBondContact CG-OE2 3.26Å; Q525-E600 PolarHBondContact N-O 2.82Å; N526-E600 WeakPolarHBondContact OD1-CB 3.35Å; N526-E600 WeakPolarHBondContact OD1-CG 3.45Å; N526-E600 PolarHBondContact OD1-N 2.8Å; I571-E600 HydrophobicContact CD1-CB 3.59Å; I571-E600 HydrophobicContact CD1-CG 3.5Å; I571-E600 VanDerWaalsContact CD1-CG 3.5Å; A583-E600 HydrophobicContact CB-CG 4.31Å; Q598-E600 HydrophobicContact CG-CG 4.17Å; Q598-E600 PolarHBondContact NE2-OE1 2.98Å |
| 601 | L | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.6 | -177.4 | -61.1 | 175.3 | 0 | 0 | 0 | 109.7 | L522 L524 F539 L546 A581 F582 L584 L599 F616 | L522-L601 HydrophobicContact CD1-CB 4.37Å; L522-L601 HydrophobicContact CD1-CD1 4.09Å; L524-L601 HydrophobicContact CD1-CD2 3.58Å; F539-L601 HydrophobicContact CE1-CD2 3.72Å; F539-L601 HydrophobicContact CE2-CD2 4.3Å; F539-L601 HydrophobicContact CZ-CD2 3.52Å; L546-L601 HydrophobicContact CD2-CD1 4.16Å; A581-L601 VanDerWaalsContact CA-O 3.23Å; A581-L601 WeakPolarHBondContact CA-O 3.33Å; F582-L601 HydrophobicContact CD1-CB 4.47Å; F582-L601 HydrophobicContact CE1-CB 3.97Å; F582-L601 HydrophobicContact CE2-CB 4.15Å; F582-L601 HydrophobicContact CE2-CD1 3.8Å; F582-L601 HydrophobicContact CZ-CB 3.79Å; F582-L601 HydrophobicContact CZ-CD1 3.82Å; F582-L601 HydrophobicContact CZ-CG 4.43Å; F582-L601 PolarHBondContact N-O 2.84Å; F582-L601 PolarHBondContact O-N 3.44Å; L584-L601 HydrophobicContact CD1-CD1 3.93Å; L584-L601 HydrophobicContact CG-CD1 4.33Å; L599-L601 HydrophobicContact CD2-CD2 4.28Å; L599-L601 HydrophobicContact CG-CD2 4.24Å; L599-L601 HydrophobicContact CG-CG 4.48Å; L601-F616 HydrophobicContact CD1-CE2 4.3Å; L601-F616 HydrophobicContact CD1-CZ 4.11Å |
| 602 | C | 89.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.3 | 175.4 | -60.6 | 0 | 0 | 0 | 0 | 111 | L522 S523 Q525 H580 | L522-C602 WeakPolarHBondContact CA-O 3.31Å; L522-C602 WeakPolarHBondContact CD2-O 3.37Å; S523-C602 PolarHBondContact N-O 2.98Å; S523-C602 PolarHBondContact O-N 2.79Å; Q525-C602 PolarHBondContact OE1-SG 3.01Å; H580-C602 WeakPolarHBondContact O-CA 3.34Å |
| 603 | A | 88.1 | Confident | 87.7 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 165.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L522 H580 S605 L608 V609 | L522-A603 HydrophobicContact CD2-CB 3.82Å; H580-A603 PolarHBondContact O-N 3.39Å; A603-S605 VanDerWaalsContact C-N 3.3Å; A603-S605 PolarHBondContact O-N 3.11Å; A603-L608 HydrophobicContact CB-CB 3.77Å; A603-V609 HydrophobicContact CB-CG2 3.82Å |
| 604 | E | 85.2 | Confident | 87.7 | Confident | 174 Ų | 174 | 55 Ų | 55 | 81% | 0.813 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -67.1 | -27.9 | -175.8 | -61.4 | 178.2 | 171.1 | 0 | 0 | 113.6 | L608 | E604-L608 HydrophobicContact CB-CD1 4.05Š|
| 605 | S | 84 | Confident | 88 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -140.7 | 157.5 | -176.2 | 73 | 0 | 0 | 0 | 0 | 112.5 | H580 A603 E607 L608 V609 | H580-S605 VanDerWaalsContact CD2-CA 3.48Å; H580-S605 WeakPolarHBondContact CD2-CA 3.48Å; A603-S605 VanDerWaalsContact C-N 3.3Å; A603-S605 PolarHBondContact O-N 3.11Å; S605-E607 PolarHBondContact O-N 3.4Å; S605-L608 PolarHBondContact O-N 2.91Å; S605-L608 PolarHBondContact OG-N 3.41Å; S605-L608 VanDerWaalsContact OG-N 3.09Å; S605-V609 PolarHBondContact O-N 3.17Å; S605-V609 VanDerWaalsContact O-N 3.07Å |
| 606 | A | 83.2 | Confident | 88.3 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 37% | 0.372 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -36.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H580 L608 V609 D610 | H580-A606 PolarHBondContact CD2-N 3.38Å; A606-L608 PolarHBondContact O-N 3.29Å; A606-V609 WeakPolarHBondContact O-CB 3.48Å; A606-V609 PolarHBondContact O-N 2.73Å; A606-D610 PolarHBondContact O-N 2.83Å |
| 607 | E | 81.3 | Confident | 88.2 | Confident | 111 Ų | 111 | 39.7 Ų | 39.7 | 52% | 0.519 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 176.9 | -63.3 | -171.4 | -148.1 | 0 | 0 | 112.3 | R365 S605 D610 S611 | R365-E607 IonicContact CZ-OE2 2.64Å; R365-E607 IonicContact NH1-OE2 3.82Å; R365-E607 PolarHBondContact NH1-OE2 2.95Å; R365-E607 IonicContact NH2-OE2 3.83Å; R365-E607 PolarHBondContact NH2-OE2 3.45Å; S605-E607 PolarHBondContact O-N 3.4Å; E607-D610 PolarHBondContact O-N 3.06Å; E607-S611 WeakPolarHBondContact O-CB 3.48Å; E607-S611 PolarHBondContact O-N 2.92Å |
| 608 | L | 88.3 | Confident | 87.8 | Confident | 60 Ų | 60 | 42.2 Ų | 42.2 | 31% | 0.314 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 174.8 | -79.2 | 168.8 | 0 | 0 | 0 | 111.3 | A603 E604 S605 A606 S611 W612 | A603-L608 HydrophobicContact CB-CB 3.77Å; E604-L608 HydrophobicContact CB-CD1 4.05Å; S605-L608 PolarHBondContact O-N 2.91Å; S605-L608 PolarHBondContact OG-N 3.41Å; S605-L608 VanDerWaalsContact OG-N 3.09Å; A606-L608 PolarHBondContact O-N 3.29Å; L608-S611 PolarHBondContact O-N 3Å; L608-W612 WeakPolarHBondContact O-CB 3.29Å; L608-W612 PolarHBondContact O-N 2.98Å |
| 609 | V | 88.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 174 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | H580 F582 A603 S605 A606 S611 W612 K613 | H580-V609 HydrophobicContact CB-CG2 3.53Å; H580-V609 VanDerWaalsContact O-CG2 3.26Å; H580-V609 WeakPolarHBondContact O-CG2 3.13Å; F582-V609 HydrophobicContact CD1-CG1 3.82Å; F582-V609 HydrophobicContact CD1-CG2 4.32Å; A603-V609 HydrophobicContact CB-CG2 3.82Å; S605-V609 PolarHBondContact O-N 3.17Å; S605-V609 VanDerWaalsContact O-N 3.07Å; A606-V609 WeakPolarHBondContact O-CB 3.48Å; A606-V609 PolarHBondContact O-N 2.73Å; V609-S611 VanDerWaalsContact C-N 3.3Å; V609-S611 PolarHBondContact O-N 3.46Å; V609-W612 PolarHBondContact O-N 3.07Å; V609-W612 VanDerWaalsContact O-N 3.16Å; V609-K613 HydrophobicContact CG1-CD 4.02Å; V609-K613 VanDerWaalsContact CG1-CE 3.45Å; V609-K613 HydrophobicContact CG1-CG 4.39Å; V609-K613 WeakPolarHBondContact O-CG 3.43Å; V609-K613 PolarHBondContact O-N 3.09Å |
| 610 | D | 86.8 | Confident | 87 | Confident | 70 Ų | 70 | 42.2 Ų | 42.2 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -39.6 | -179.6 | -74.2 | -15.7 | 0 | 0 | 0 | 111.6 | A606 E607 W612 K613 A614 | A606-D610 PolarHBondContact O-N 2.83Å; E607-D610 PolarHBondContact O-N 3.06Å; D610-W612 PolarHBondContact O-N 3.28Å; D610-K613 PolarHBondContact O-N 3.45Å; D610-K613 IonicContact OD1-NZ 2.67Å; D610-A614 WeakPolarHBondContact O-CB 3.11Å; D610-A614 PolarHBondContact O-N 3.02Å |
| 611 | S | 87.9 | Confident | 86.9 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62 | -42.6 | 174.2 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | R518 E607 L608 V609 A614 S615 | R518-S611 VanDerWaalsContact NH1-CB 3.29Å; R518-S611 PolarHBondContact NH1-O 3.14Å; R518-S611 PolarHBondContact NH1-OG 3.36Å; R518-S611 PolarHBondContact NH2-OG 3.35Å; E607-S611 WeakPolarHBondContact O-CB 3.48Å; E607-S611 PolarHBondContact O-N 2.92Å; L608-S611 PolarHBondContact O-N 3Å; V609-S611 VanDerWaalsContact C-N 3.3Å; V609-S611 PolarHBondContact O-N 3.46Å; S611-A614 WeakPolarHBondContact O-CB 2.99Å; S611-A614 PolarHBondContact O-N 3.02Å; S611-S615 PolarHBondContact O-N 3.44Å; S611-S615 VanDerWaalsContact O-N 3.07Å; S611-S615 PolarHBondContact O-OG 3.43Å |
| 612 | W | 93 | Very high | 86.6 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 177.1 | -88.8 | 107.3 | 0 | 0 | 0 | 111.7 | R518 L522 F539 L541 F582 L608 V609 D610 A614 S615 F616 | R518-W612 HydrophobicContact CB-CZ3 4.26Å; R518-W612 HydrophobicContact CG-CE3 4.25Å; R518-W612 HydrophobicContact CG-CH2 3.89Å; R518-W612 HydrophobicContact CG-CZ2 4.21Å; R518-W612 HydrophobicContact CG-CZ3 3.91Å; R518-W612 VanDerWaalsContact NH1-N 3.17Å; L522-W612 HydrophobicContact CD1-CD2 3.82Å; L522-W612 HydrophobicContact CD1-CE3 4.01Å; L522-W612 HydrophobicContact CD1-CG 4.36Å; L522-W612 HydrophobicContact CD1-CH2 4.1Å; L522-W612 HydrophobicContact CD1-CZ2 3.89Å; L522-W612 HydrophobicContact CD1-CZ3 4.16Å; L522-W612 HydrophobicContact CD2-CD2 4.26Å; L522-W612 HydrophobicContact CD2-CG 4.13Å; L522-W612 HydrophobicContact CD2-CZ2 4.49Å; L522-W612 HydrophobicContact CG-CD2 4.25Å; L522-W612 HydrophobicContact CG-CZ2 3.87Å; F539-W612 HydrophobicContact CB-CH2 3.78Å; F539-W612 HydrophobicContact CB-CZ2 4.47Å; F539-W612 HydrophobicContact CB-CZ3 4.4Å; L541-W612 HydrophobicContact CB-CZ3 4.23Å; F582-W612 HydrophobicContact CE1-CB 4.18Å; F582-W612 HydrophobicContact CZ-CB 4.07Å; L608-W612 WeakPolarHBondContact O-CB 3.29Å; L608-W612 PolarHBondContact O-N 2.98Å; V609-W612 PolarHBondContact O-N 3.07Å; V609-W612 VanDerWaalsContact O-N 3.16Å; D610-W612 PolarHBondContact O-N 3.28Å; W612-A614 VanDerWaalsContact C-N 3.27Å; W612-A614 PolarHBondContact O-N 3.2Å; W612-S615 CarbonylContact O-C 3.37Å; W612-S615 WeakPolarHBondContact O-CA 3.33Å; W612-S615 WeakPolarHBondContact O-CB 3.2Å; W612-S615 PolarHBondContact O-N 3.39Å; W612-F616 HydrophobicContact CE3-CE2 4.08Å; W612-F616 VanDerWaalsContact O-CD2 3.24Å; W612-F616 WeakPolarHBondContact O-CD2 3.42Å; W612-F616 PolarHBondContact O-N 3.04Å |
| 613 | K | 91.7 | Very high | 86.5 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.4 | -42.1 | 172 | -71.1 | 173 | 179.3 | 170.2 | 0 | 111.4 | I568 D570 F582 V609 D610 S615 F616 L617 | I568-K613 HydrophobicContact CG2-CG 4.35Å; D570-K613 WeakPolarHBondContact OD1-CE 3.43Å; D570-K613 IonicContact OD1-NZ 2.82Å; D570-K613 PolarHBondContact OD1-NZ 3.33Å; D570-K613 IonicContact OD2-NZ 3.97Å; F582-K613 HydrophobicContact CG-CG 4.45Å; V609-K613 HydrophobicContact CG1-CD 4.02Å; V609-K613 VanDerWaalsContact CG1-CE 3.45Å; V609-K613 HydrophobicContact CG1-CG 4.39Å; V609-K613 WeakPolarHBondContact O-CG 3.43Å; V609-K613 PolarHBondContact O-N 3.09Å; D610-K613 PolarHBondContact O-N 3.45Å; D610-K613 IonicContact OD1-NZ 2.67Å; K613-S615 VanDerWaalsContact C-N 3.28Å; K613-S615 PolarHBondContact O-N 2.6Å; K613-F616 PolarHBondContact O-N 2.86Å; K613-L617 WeakPolarHBondContact O-CB 3.37Å; K613-L617 WeakPolarHBondContact O-CG 3.22Å; K613-L617 PolarHBondContact O-N 3.24Å |
| 614 | A | 85.9 | Confident | 86 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -31.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D610 S611 W612 R618 | D610-A614 WeakPolarHBondContact O-CB 3.11Å; D610-A614 PolarHBondContact O-N 3.02Å; S611-A614 WeakPolarHBondContact O-CB 2.99Å; S611-A614 PolarHBondContact O-N 3.02Å; W612-A614 VanDerWaalsContact C-N 3.27Å; W612-A614 PolarHBondContact O-N 3.2Å; A614-R618 WeakPolarHBondContact O-CG 3.14Å; A614-R618 PolarHBondContact O-N 3.32Å; A614-R618 PolarHBondContact O-NE 2.97Å |
| 615 | S | 90.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.8 | -40.1 | 172.2 | -64 | 0 | 0 | 0 | 0 | 112.5 | R518 L541 S611 W612 K613 R618 A619 | R518-S615 WeakPolarHBondContact CD-OG 3.4Å; L541-S615 VanDerWaalsContact CD2-C 3.46Å; L541-S615 WeakPolarHBondContact CD2-O 3.4Å; S611-S615 PolarHBondContact O-N 3.44Å; S611-S615 VanDerWaalsContact O-N 3.07Å; S611-S615 PolarHBondContact O-OG 3.43Å; W612-S615 CarbonylContact O-C 3.37Å; W612-S615 WeakPolarHBondContact O-CA 3.33Å; W612-S615 WeakPolarHBondContact O-CB 3.2Å; W612-S615 PolarHBondContact O-N 3.39Å; K613-S615 VanDerWaalsContact C-N 3.28Å; K613-S615 PolarHBondContact O-N 2.6Å; S615-R618 WeakPolarHBondContact O-CB 3.45Å; S615-R618 PolarHBondContact O-N 3.46Å; S615-R618 PolarHBondContact OG-NH2 2.95Å; S615-A619 PolarHBondContact O-N 3.47Å; S615-A619 VanDerWaalsContact O-N 3.15Å |
| 616 | F | 90.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | 174.2 | -83.8 | -69 | 0 | 0 | 0 | 113 | L541 L546 L563 I568 F582 L584 L601 W612 K613 R618 A619 G620 V621 | L541-F616 HydrophobicContact CD1-CD1 3.84Å; L541-F616 HydrophobicContact CD1-CE1 3.65Å; L541-F616 HydrophobicContact CD1-CZ 4.38Å; L541-F616 HydrophobicContact CD2-CD1 4.15Å; L541-F616 HydrophobicContact CD2-CE1 4.39Å; L541-F616 HydrophobicContact CD2-CG 4.27Å; L546-F616 HydrophobicContact CB-CE1 4.48Å; L546-F616 HydrophobicContact CD1-CE1 4.11Å; L546-F616 HydrophobicContact CD1-CZ 3.81Å; L546-F616 HydrophobicContact CD2-CE1 4.01Å; L546-F616 HydrophobicContact CD2-CZ 3.72Å; L546-F616 HydrophobicContact CG-CE1 4.43Å; L546-F616 HydrophobicContact CG-CZ 4.31Å; L563-F616 HydrophobicContact CD2-CD1 4.39Å; L563-F616 HydrophobicContact CD2-CE1 4.14Å; I568-F616 HydrophobicContact CD1-CB 3.36Å; I568-F616 HydrophobicContact CD1-CD2 4.3Å; I568-F616 HydrophobicContact CD1-CG 3.95Å; I568-F616 HydrophobicContact CG1-CB 4.47Å; F582-F616 AromaticContact CE2-CD2 3.82Å; F582-F616 HydrophobicContact CE2-CD2 3.82Å; F582-F616 AromaticContact CE2-CE2 3.54Å; F582-F616 HydrophobicContact CE2-CE2 3.54Å; F582-F616 HydrophobicContact CE2-CZ 4.41Å; F582-F616 HydrophobicContact CZ-CD2 4.15Å; F582-F616 AromaticContact CZ-CE2 3.68Å; F582-F616 HydrophobicContact CZ-CE2 3.68Å; L584-F616 HydrophobicContact CD1-CE1 3.71Å; L584-F616 HydrophobicContact CD1-CZ 3.79Å; L584-F616 HydrophobicContact CD2-CD1 4.19Å; L584-F616 HydrophobicContact CD2-CE1 4.13Å; L584-F616 HydrophobicContact CD2-CZ 4.41Å; L601-F616 HydrophobicContact CD1-CE2 4.3Å; L601-F616 HydrophobicContact CD1-CZ 4.11Å; W612-F616 HydrophobicContact CE3-CE2 4.08Å; W612-F616 VanDerWaalsContact O-CD2 3.24Å; W612-F616 WeakPolarHBondContact O-CD2 3.42Å; W612-F616 PolarHBondContact O-N 3.04Å; K613-F616 PolarHBondContact O-N 2.86Å; F616-R618 VanDerWaalsContact C-N 3.31Å; F616-R618 PolarHBondContact O-N 3.32Å; F616-A619 CarbonylContact O-C 3.59Å; F616-A619 WeakPolarHBondContact O-CA 3.41Å; F616-A619 WeakPolarHBondContact O-CB 3.46Å; F616-A619 PolarHBondContact O-N 2.95Å; F616-G620 PolarHBondContact O-N 3.29Å; F616-V621 CarbonylContact C-O 3.53Å; F616-V621 HydrophobicContact CB-CB 4.12Å; F616-V621 HydrophobicContact CD1-CB 4.28Å; F616-V621 HydrophobicContact CD1-CG2 4.17Å; F616-V621 PolarHBondContact O-N 2.89Å |
| 617 | L | 84.5 | Confident | 81.5 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 171.3 | -77.5 | 169 | 0 | 0 | 0 | 111.4 | Y373 K613 A619 G620 Y622 | Y373-L617 HydrophobicContact CD2-CD1 4.32Å; Y373-L617 HydrophobicContact CE2-CD1 4.37Å; K613-L617 WeakPolarHBondContact O-CB 3.37Å; K613-L617 WeakPolarHBondContact O-CG 3.22Å; K613-L617 PolarHBondContact O-N 3.24Å; L617-A619 PolarHBondContact O-N 3.29Å; L617-G620 PolarHBondContact O-N 3.33Å; L617-Y622 HydrophobicContact CD2-CD1 3.59Å; L617-Y622 HydrophobicContact CD2-CE1 4.12Å; L617-Y622 HydrophobicContact CD2-CG 4.42Å |
| 618 | R | 80.8 | Confident | 79.3 | Confident | 157 Ų | 157 | 58.4 Ų | 58.4 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.3 | -20.6 | 173 | -78 | -177.8 | -81.9 | -178.9 | -6.4 | 113.6 | I517 A614 S615 F616 | I517-R618 HydrophobicContact CG2-CB 4.14Å; A614-R618 WeakPolarHBondContact O-CG 3.14Å; A614-R618 PolarHBondContact O-N 3.32Å; A614-R618 PolarHBondContact O-NE 2.97Å; S615-R618 WeakPolarHBondContact O-CB 3.45Å; S615-R618 PolarHBondContact O-N 3.46Å; S615-R618 PolarHBondContact OG-NH2 2.95Å; F616-R618 VanDerWaalsContact C-N 3.31Å; F616-R618 PolarHBondContact O-N 3.32Å |
| 619 | A | 83 | Confident | 76.6 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 5.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I517 L541 L563 S615 F616 L617 | I517-A619 HydrophobicContact CD1-CB 3.36Å; L541-A619 HydrophobicContact CD1-CB 4.07Å; L541-A619 HydrophobicContact CD2-CB 4.22Å; L541-A619 HydrophobicContact CG-CB 4.28Å; L563-A619 HydrophobicContact CD1-CB 3.47Å; L563-A619 VanDerWaalsContact CD1-CB 3.47Å; S615-A619 PolarHBondContact O-N 3.47Å; S615-A619 VanDerWaalsContact O-N 3.15Å; F616-A619 CarbonylContact O-C 3.59Å; F616-A619 WeakPolarHBondContact O-CA 3.41Å; F616-A619 WeakPolarHBondContact O-CB 3.46Å; F616-A619 PolarHBondContact O-N 2.95Å; L617-A619 PolarHBondContact O-N 3.29Å |
| 620 | G | 82.2 | Confident | 74 | Confident | 39 Ų | 39 | 74 Ų | 74 | 40% | 0.402 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 14.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | F616 L617 Y622 | F616-G620 PolarHBondContact O-N 3.29Å; L617-G620 PolarHBondContact O-N 3.33Å; G620-Y622 VanDerWaalsContact O-CD2 3.24Å; G620-Y622 WeakPolarHBondContact O-CD2 3.26Å; G620-Y622 VanDerWaalsContact O-CE2 3.24Å; G620-Y622 WeakPolarHBondContact O-CE2 3.24Å |
| 621 | V | 88.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -102 | 113.9 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 110 | L563 L566 I568 L584 F616 | L563-V621 HydrophobicContact CB-CG2 3.87Å; L563-V621 HydrophobicContact CD1-CG2 4.4Å; L563-V621 HydrophobicContact CD2-CG2 4.05Å; L563-V621 HydrophobicContact CG-CG2 4.31Å; L566-V621 HydrophobicContact CB-CG1 3.98Å; L566-V621 HydrophobicContact CB-CG2 4.45Å; L566-V621 WeakPolarHBondContact O-CG1 3.43Å; I568-V621 HydrophobicContact CD1-CG1 4.08Å; I568-V621 HydrophobicContact CG1-CG1 3.79Å; L584-V621 HydrophobicContact CD2-CG1 3.98Å; F616-V621 CarbonylContact C-O 3.53Å; F616-V621 HydrophobicContact CB-CB 4.12Å; F616-V621 HydrophobicContact CD1-CB 4.28Å; F616-V621 HydrophobicContact CD1-CG2 4.17Å; F616-V621 PolarHBondContact O-N 2.89Å | ||
| 622 | Y | 85.8 | Confident | 68.7 | Low | 93 Ų | 93 | 83.9 Ų | 83.9 | 37% | 0.365 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 149.5 | -169.7 | -62.2 | -79.8 | 0 | 0 | 0 | 113.7 | E379 K567 I568 L617 G620 | E379-Y622 WeakPolarHBondContact OE2-CE1 3.48Å; E379-Y622 PolarHBondContact OE2-OH 2.89Å; K567-Y622 CarbonylContact C-O 3.43Å; K567-Y622 VanDerWaalsContact CA-O 3.24Å; K567-Y622 WeakPolarHBondContact CA-O 3.47Å; K567-Y622 WeakPolarHBondContact CB-O 3.29Å; I568-Y622 PolarHBondContact N-O 3.15Å; L617-Y622 HydrophobicContact CD2-CD1 3.59Å; L617-Y622 HydrophobicContact CD2-CE1 4.12Å; L617-Y622 HydrophobicContact CD2-CG 4.42Å; G620-Y622 VanDerWaalsContact O-CD2 3.24Å; G620-Y622 WeakPolarHBondContact O-CD2 3.26Å; G620-Y622 VanDerWaalsContact O-CE2 3.24Å; G620-Y622 WeakPolarHBondContact O-CE2 3.24Å |
| 623 | P | 86.2 | Confident | 65.9 | Low | 78 Ų | 78 | 93 Ų | 93 | 51% | 0.506 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 139 | 173.6 | 24.8 | -32.4 | 0 | 0 | 0 | 111.6 | I568 | I568-P623 CarbonylContact O-C 3.46Å; I568-P623 WeakPolarHBondContact O-CA 3.32Å |
| 624 | A | 78.6 | Confident | 62.9 | Low | 36 Ų | 36 | 96.8 Ų | 96.8 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 132.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | K567 I568 F585 T626 | K567-A624 HydrophobicContact CB-CB 4.39Å; K567-A624 HydrophobicContact CD-CB 4.41Å; I568-A624 PolarHBondContact O-N 3.14Å; F585-A624 HydrophobicContact CE1-CB 3.79Å; F585-A624 HydrophobicContact CZ-CB 3.51Å; A624-T626 PolarHBondContact O-N 3Å |
| 625 | K | 65 | Low | 60.2 | Low | 111 Ų | 111 | 103.2 Ų | 103.2 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 127.6 | 175.5 | -63.6 | -174 | 179 | -151.5 | 0 | 110 | D381 E384 K627 | D381-K625 HydrophobicContact CB-CD 4.12Å; D381-K625 VanDerWaalsContact CG-CE 3.48Å; D381-K625 VanDerWaalsContact OD2-CD 3.24Å; D381-K625 WeakPolarHBondContact OD2-CD 3.38Å; D381-K625 IonicContact OD2-NZ 3.31Å; E384-K625 IonicContact OE2-NZ 3.97Å; K625-K627 PolarHBondContact O-N 3.37Å; K625-K627 VanDerWaalsContact O-N 3.15Å |
| 626 | T | 49.2 | Very low | 57.5 | Low | 135 Ų | 135 | 108.4 Ų | 108.4 | 83% | 0.828 | 57% | 0.574 | S | S | * | * | trans | -64.3 | 107.8 | 168.9 | 12.2 | 0 | 0 | 0 | 0 | 108.9 | A624 S628 | A624-T626 PolarHBondContact O-N 3Å; T626-S628 PolarHBondContact O-N 2.89Å | ||
| 627 | K | 42.7 | Very low | 54.6 | Low | 208 Ų | 208 | 114.3 Ų | 114.3 | 90% | 0.904 | 62% | 0.616 | S | S | * | * | trans | -66.4 | 100.5 | 164.8 | -79.8 | -175.8 | 176.2 | -179.6 | 0 | 107.4 | K625 E629 | K625-K627 PolarHBondContact O-N 3.37Å; K625-K627 VanDerWaalsContact O-N 3.15Å; K627-E629 PolarHBondContact O-N 3.35Å | ||
| 628 | S | 36.3 | Very low | 52.2 | Low | 104 Ų | 104 | 117.6 Ų | 117.6 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | trans | -64.2 | 125.5 | 164.4 | -9.1 | 0 | 0 | 0 | 0 | 107.6 | T626 K630 | T626-S628 PolarHBondContact O-N 2.89Å; S628-K630 PolarHBondContact O-N 3.14Å | ||
| 629 | E | 30.1 | Very low | 50.3 | Low | 197 Ų | 197 | 116.1 Ų | 116.1 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | trans | -53.5 | 106.8 | 170.2 | -68.9 | 174.9 | 155.3 | 0 | 0 | 109.3 | K627 | K627-E629 PolarHBondContact O-N 3.35Š| ||
| 630 | K | 35.1 | Very low | 48.2 | Very low | 197 Ų | 197 | 122.9 Ų | 122.9 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | trans | -115.7 | 103.3 | 158.9 | -82.7 | -170.5 | 177 | -178.7 | 0 | 107.9 | S628 | S628-K630 PolarHBondContact O-N 3.14Š| ||
| 631 | T | 32.7 | Very low | 45.9 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | -1.8 | 126.5 | 150.9 | -37 | 0 | 0 | 0 | 0 | 116.5 | Q633 | T631-Q633 PolarHBondContact O-N 3Š| ||
| 632 | E | 30 | Very low | 44 | Very low | 185 Ų | 185 | 130.2 Ų | 130.2 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -21.4 | 109.5 | 158 | -61.6 | 173.3 | 161.2 | 0 | 0 | 114.8 | ||||
| 633 | Q | 33.8 | Very low | 43.1 | Very low | 193 Ų | 193 | 131.6 Ų | 131.6 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | trans | -143.8 | 114.5 | 140.7 | -108.9 | 172.7 | 13.7 | 0 | 0 | 107.9 | T631 D635 | T631-Q633 PolarHBondContact O-N 3Å; Q633-D635 PolarHBondContact O-N 2.65Å | ||
| 634 | S | 28.5 | Very low | 42.6 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | -54.6 | 117.5 | 171.5 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 635 | D | 30.1 | Very low | 42.5 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | 172.4 | 71.1 | 144.7 | -91.1 | -11 | 0 | 0 | 0 | 110 | Q633 | Q633-D635 PolarHBondContact O-N 2.65Š| ||
| 636 | S | 34.3 | Very low | 43.4 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -153.7 | 21.5 | 162.5 | 84.2 | 0 | 0 | 0 | 0 | 114.8 | S638 | S636-S638 VanDerWaalsContact C-N 3.29Å; S636-S638 PolarHBondContact O-N 3.02Å | ||
| 637 | S | 30.4 | Very low | 45.1 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 62 | 168.9 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 638 | S | 33.7 | Very low | 47 | Very low | 90 Ų | 90 | 130 Ų | 130 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.2 | 24.7 | 174.9 | 65.5 | 0 | 0 | 0 | 0 | 116 | S636 E640 | S636-S638 VanDerWaalsContact C-N 3.29Å; S636-S638 PolarHBondContact O-N 3.02Å; S638-E640 PolarHBondContact O-N 3.23Å |
| 639 | L | 40.8 | Very low | 49.4 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | trans | -96.4 | 84.3 | 161.7 | -80.2 | 173.5 | 0 | 0 | 0 | 108.7 | R394 | R394-L639 VanDerWaalsContact NH1-CD2 3.32Š| ||
| 640 | E | 37.9 | Very low | 52.2 | Low | 156 Ų | 156 | 118.7 Ų | 118.7 | 73% | 0.729 | 65% | 0.65 | S | S | * | * | trans | -50.7 | 130.4 | -176.7 | -65 | 171.2 | 157.6 | 0 | 0 | 113.2 | S638 S642 | S638-E640 PolarHBondContact O-N 3.23Å; E640-S642 VanDerWaalsContact C-N 3.35Å; E640-S642 PolarHBondContact O-N 3.37Å | ||
| 641 | A | 35.2 | Very low | 54.7 | Low | 107 Ų | 107 | 111.2 Ų | 111.2 | 88% | 0.884 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -56.1 | 91.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 642 | S | 47.3 | Very low | 57.4 | Low | 87 Ų | 87 | 105.5 Ų | 105.5 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | trans | -168.6 | 18.7 | 171.9 | 32.7 | 0 | 0 | 0 | 0 | 118.2 | E640 | E640-S642 VanDerWaalsContact C-N 3.35Å; E640-S642 PolarHBondContact O-N 3.37Å | ||
| 643 | E | 67.4 | Low | 60.2 | Low | 121 Ų | 121 | 96.8 Ų | 96.8 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | trans | -132.3 | 80.5 | 174.6 | -143.9 | 173.1 | -144.7 | 0 | 0 | 113.4 | Q645 L646 E647 | E643-Q645 PolarHBondContact O-N 3.42Å; E643-L646 HydrophobicContact CB-CB 4.32Å; E643-L646 PolarHBondContact O-N 3.49Å; E643-E647 PolarHBondContact O-N 3.11Å | ||
| 644 | P | 74.9 | Confident | 62.9 | Low | 99 Ų | 99 | 89.4 Ų | 89.4 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.3 | -22 | -176.2 | 22.5 | -33.5 | 0 | 0 | 0 | 113.8 | R648 | P644-R648 PolarHBondContact O-N 3.5Å |
| 645 | Q | 77.8 | Confident | 65.8 | Low | 149 Ų | 149 | 84.6 Ų | 84.6 | 70% | 0.696 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.8 | -41.5 | 175 | -69.9 | -175.7 | -16 | 0 | 0 | 112.4 | E643 R648 Q649 | E643-Q645 PolarHBondContact O-N 3.42Å; Q645-R648 PolarHBondContact O-N 3.2Å; Q645-Q649 WeakPolarHBondContact O-CG 3.44Å; Q645-Q649 PolarHBondContact O-N 2.87Å |
| 646 | L | 83.4 | Confident | 68.8 | Low | 19 Ų | 19 | 77.5 Ų | 77.5 | 10% | 0.099 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.5 | -42 | 179.4 | -179.8 | 62.9 | 0 | 0 | 0 | 110.8 | I393 E643 R648 Q649 V650 | I393-L646 HydrophobicContact CB-CD1 4.1Å; I393-L646 HydrophobicContact CD1-CD1 3.85Å; I393-L646 HydrophobicContact CG2-CD1 3.66Å; E643-L646 HydrophobicContact CB-CB 4.32Å; E643-L646 PolarHBondContact O-N 3.49Å; L646-R648 VanDerWaalsContact C-N 3.33Å; L646-R648 PolarHBondContact O-N 2.87Å; L646-Q649 PolarHBondContact O-N 3.28Å; L646-V650 HydrophobicContact CD1-CG2 4.38Å; L646-V650 HydrophobicContact CG-CG2 4.41Å; L646-V650 VanDerWaalsContact O-CG2 3.26Å; L646-V650 WeakPolarHBondContact O-CG2 3.1Å; L646-V650 PolarHBondContact O-N 3.4Å |
| 647 | E | 84 | Confident | 71.5 | Confident | 148 Ų | 148 | 72.3 Ų | 72.3 | 69% | 0.692 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 177.3 | -170.9 | 170 | -164.8 | 0 | 0 | 111.6 | E643 V650 E651 | E643-E647 PolarHBondContact O-N 3.11Å; E647-V650 PolarHBondContact O-N 2.79Å; E647-E651 PolarHBondContact O-N 3.1Å; E647-E651 VanDerWaalsContact O-N 3.08Å |
| 648 | R | 83.9 | Confident | 74.3 | Confident | 120 Ų | 120 | 69 Ų | 69 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 173.7 | -170.9 | 179.5 | -174.5 | -158.3 | -2 | 112.3 | E501 P644 Q645 L646 V650 E651 I652 | E501-R648 VanDerWaalsContact CG-NH2 3.31Å; E501-R648 IonicContact OE1-CZ 3.34Å; E501-R648 IonicContact OE1-NH1 3.72Å; E501-R648 IonicContact OE1-NH2 2.64Å; E501-R648 PolarHBondContact OE1-NH2 3.38Å; P644-R648 PolarHBondContact O-N 3.5Å; Q645-R648 PolarHBondContact O-N 3.2Å; L646-R648 VanDerWaalsContact C-N 3.33Å; L646-R648 PolarHBondContact O-N 2.87Å; R648-V650 PolarHBondContact O-N 2.73Å; R648-E651 PolarHBondContact O-N 2.76Å; R648-I652 HydrophobicContact CG-CD1 4.09Å; R648-I652 VanDerWaalsContact O-CG1 3.3Å; R648-I652 WeakPolarHBondContact O-CG1 3.23Å; R648-I652 PolarHBondContact O-N 2.78Å |
| 649 | Q | 85.3 | Confident | 77 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.7 | -74 | 179.7 | -2.8 | 0 | 0 | 112.1 | I393 Q645 L646 E651 I652 I653 | I393-Q649 HydrophobicContact CD1-CB 3.94Å; Q645-Q649 WeakPolarHBondContact O-CG 3.44Å; Q645-Q649 PolarHBondContact O-N 2.87Å; L646-Q649 PolarHBondContact O-N 3.28Å; Q649-E651 VanDerWaalsContact C-N 3.31Å; Q649-E651 PolarHBondContact O-N 3.41Å; Q649-I652 PolarHBondContact O-N 3.29Å; Q649-I653 WeakPolarHBondContact O-CG1 3.5Å; Q649-I653 PolarHBondContact O-N 2.78Å |
| 650 | V | 89.4 | Confident | 79.5 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 176.9 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | R386 I389 I393 L646 E647 R648 I653 R654 | R386-V650 HydrophobicContact CB-CG1 3.86Å; R386-V650 HydrophobicContact CG-CG1 3.85Å; I389-V650 HydrophobicContact CB-CG1 4.27Å; I389-V650 HydrophobicContact CG2-CB 4.18Å; I389-V650 HydrophobicContact CG2-CG1 4.13Å; I389-V650 HydrophobicContact CG2-CG2 4.03Å; I393-V650 HydrophobicContact CD1-CG2 3.79Å; L646-V650 HydrophobicContact CD1-CG2 4.38Å; L646-V650 HydrophobicContact CG-CG2 4.41Å; L646-V650 VanDerWaalsContact O-CG2 3.26Å; L646-V650 WeakPolarHBondContact O-CG2 3.1Å; L646-V650 PolarHBondContact O-N 3.4Å; E647-V650 PolarHBondContact O-N 2.79Å; R648-V650 PolarHBondContact O-N 2.73Å; V650-I653 PolarHBondContact O-N 3.33Å; V650-R654 WeakPolarHBondContact O-CB 3.48Å; V650-R654 PolarHBondContact O-N 3.34Å |
| 651 | E | 88.5 | Confident | 82.1 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.9 | -39.2 | -177.9 | -168.7 | 54 | -145.6 | 0 | 0 | 112.7 | R386 E647 R648 Q649 R654 N655 | R386-E651 IonicContact CZ-OE2 3.21Å; R386-E651 IonicContact NE-OE2 3.38Å; R386-E651 PolarHBondContact NE-OE2 3.47Å; R386-E651 IonicContact NH2-OE2 2.77Å; E647-E651 PolarHBondContact O-N 3.1Å; E647-E651 VanDerWaalsContact O-N 3.08Å; R648-E651 PolarHBondContact O-N 2.76Å; Q649-E651 VanDerWaalsContact C-N 3.31Å; Q649-E651 PolarHBondContact O-N 3.41Å; E651-R654 VanDerWaalsContact CD-NE 3.3Å; E651-R654 WeakPolarHBondContact O-CB 3.46Å; E651-R654 PolarHBondContact O-N 2.9Å; E651-R654 IonicContact OE1-CZ 3.94Å; E651-R654 IonicContact OE1-NE 2.77Å; E651-R654 PolarHBondContact OE1-NE 2.89Å; E651-R654 IonicContact OE1-NH2 3.57Å; E651-R654 PolarHBondContact OE1-NH2 3.01Å; E651-R654 IonicContact OE2-NE 3.62Å; E651-R654 PolarHBondContact OE2-NE 2.81Å; E651-R654 VanDerWaalsContact OE2-NE 3.12Å; E651-N655 PolarHBondContact O-N 3.07Å; E651-N655 PolarHBondContact O-ND2 3.28Å |
| 652 | I | 88 | Confident | 84.8 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 173.2 | -67.9 | 169 | 0 | 0 | 0 | 110.4 | F497 A500 E501 R648 Q649 R654 N655 L656 | F497-I652 HydrophobicContact CD2-CG2 4.1Å; F497-I652 HydrophobicContact CE2-CG2 3.64Å; F497-I652 HydrophobicContact CZ-CD1 4.41Å; F497-I652 HydrophobicContact CZ-CG2 4.07Å; A500-I652 HydrophobicContact CB-CG2 4.2Å; E501-I652 HydrophobicContact CB-CD1 4.21Å; E501-I652 HydrophobicContact CB-CG1 4.47Å; E501-I652 HydrophobicContact CG-CD1 4.03Å; R648-I652 HydrophobicContact CG-CD1 4.09Å; R648-I652 VanDerWaalsContact O-CG1 3.3Å; R648-I652 WeakPolarHBondContact O-CG1 3.23Å; R648-I652 PolarHBondContact O-N 2.78Å; Q649-I652 PolarHBondContact O-N 3.29Å; I652-R654 VanDerWaalsContact C-N 3.32Å; I652-R654 PolarHBondContact O-N 3.49Å; I652-N655 PolarHBondContact O-N 3.04Å; I652-L656 HydrophobicContact CG2-CD1 4.08Å; I652-L656 WeakPolarHBondContact O-CG 3.19Å; I652-L656 PolarHBondContact O-N 2.97Å |
| 653 | I | 89.9 | Confident | 87 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 179.2 | -66.4 | 171.4 | 0 | 0 | 0 | 110.6 | I389 I393 A409 F410 Q649 V650 N655 L656 V657 | I389-I653 HydrophobicContact CD1-CG2 4.13Å; I389-I653 HydrophobicContact CG1-CG2 4.05Å; I389-I653 HydrophobicContact CG2-CB 3.85Å; I389-I653 HydrophobicContact CG2-CD1 3.99Å; I389-I653 HydrophobicContact CG2-CG2 3.79Å; I393-I653 HydrophobicContact CD1-CD1 3.86Å; I393-I653 HydrophobicContact CG1-CD1 3.83Å; A409-I653 HydrophobicContact CB-CD1 3.57Å; F410-I653 HydrophobicContact CB-CG2 4.28Å; Q649-I653 WeakPolarHBondContact O-CG1 3.5Å; Q649-I653 PolarHBondContact O-N 2.78Å; V650-I653 PolarHBondContact O-N 3.33Å; I653-N655 VanDerWaalsContact C-N 3.34Å; I653-N655 PolarHBondContact O-N 2.59Å; I653-L656 PolarHBondContact O-N 3.12Å; I653-V657 HydrophobicContact CG2-CG2 4Å; I653-V657 WeakPolarHBondContact O-CB 3.45Å; I653-V657 VanDerWaalsContact O-CG2 3.23Å; I653-V657 WeakPolarHBondContact O-CG2 3.26Å; I653-V657 PolarHBondContact O-N 3.22Å |
| 654 | R | 91.1 | Very high | 88.3 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 175.3 | -170.5 | -164.8 | 72.3 | 79.7 | 12.1 | 111.2 | E382 L385 R386 I389 V650 E651 I652 L656 V657 D658 | E382-R654 IonicContact OE1-CZ 2.76Å; E382-R654 IonicContact OE1-NH1 3.8Å; E382-R654 PolarHBondContact OE1-NH1 2.95Å; L385-R654 HydrophobicContact CD2-CG 4.22Å; R386-R654 VanDerWaalsContact NH2-CD 3.32Å; I389-R654 HydrophobicContact CD1-CB 3.98Å; V650-R654 WeakPolarHBondContact O-CB 3.48Å; V650-R654 PolarHBondContact O-N 3.34Å; E651-R654 VanDerWaalsContact CD-NE 3.3Å; E651-R654 WeakPolarHBondContact O-CB 3.46Å; E651-R654 PolarHBondContact O-N 2.9Å; E651-R654 IonicContact OE1-CZ 3.94Å; E651-R654 IonicContact OE1-NE 2.77Å; E651-R654 PolarHBondContact OE1-NE 2.89Å; E651-R654 IonicContact OE1-NH2 3.57Å; E651-R654 PolarHBondContact OE1-NH2 3.01Å; E651-R654 IonicContact OE2-NE 3.62Å; E651-R654 PolarHBondContact OE2-NE 2.81Å; E651-R654 VanDerWaalsContact OE2-NE 3.12Å; I652-R654 VanDerWaalsContact C-N 3.32Å; I652-R654 PolarHBondContact O-N 3.49Å; R654-L656 PolarHBondContact O-N 3.45Å; R654-V657 PolarHBondContact O-N 2.85Å; R654-D658 WeakPolarHBondContact O-CB 3.27Å; R654-D658 PolarHBondContact O-N 3.37Å |
| 655 | N | 89 | Confident | 89.2 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 178 | -71.6 | -25.4 | 0 | 0 | 0 | 112.3 | I495 A500 E651 I652 I653 S659 | I495-N655 HydrophobicContact CD1-CB 4.25Å; A500-N655 HydrophobicContact CB-CB 3.95Å; A500-N655 PolarHBondContact O-ND2 3.12Å; E651-N655 PolarHBondContact O-N 3.07Å; E651-N655 PolarHBondContact O-ND2 3.28Å; I652-N655 PolarHBondContact O-N 3.04Å; I653-N655 VanDerWaalsContact C-N 3.34Å; I653-N655 PolarHBondContact O-N 2.59Å; N655-S659 WeakPolarHBondContact O-CB 3.47Å; N655-S659 PolarHBondContact O-N 3.48Å |
| 656 | L | 91.7 | Very high | 89.9 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 175.8 | -66.3 | 171.4 | 0 | 0 | 0 | 111.5 | F410 F494 I495 G496 F497 A500 I652 I653 R654 D658 S659 Y660 | F410-L656 HydrophobicContact CD2-CB 3.58Å; F410-L656 VanDerWaalsContact CE2-C 3.49Å; F410-L656 HydrophobicContact CE2-CB 3.76Å; F410-L656 WeakPolarHBondContact CE2-O 3.37Å; F410-L656 HydrophobicContact CG-CB 4.41Å; F494-L656 HydrophobicContact CE1-CD2 4.28Å; F494-L656 HydrophobicContact CE2-CD2 4.28Å; F494-L656 WeakPolarHBondContact CE2-O 3.33Å; F494-L656 HydrophobicContact CZ-CB 4.32Å; F494-L656 HydrophobicContact CZ-CD2 3.68Å; I495-L656 HydrophobicContact CG1-CD2 4.44Å; G496-L656 WeakPolarHBondContact O-CD2 3.17Å; F497-L656 HydrophobicContact CD2-CD1 4.06Å; A500-L656 HydrophobicContact CB-CD2 3.66Å; A500-L656 HydrophobicContact CB-CG 3.78Å; I652-L656 HydrophobicContact CG2-CD1 4.08Å; I652-L656 WeakPolarHBondContact O-CG 3.19Å; I652-L656 PolarHBondContact O-N 2.97Å; I653-L656 PolarHBondContact O-N 3.12Å; R654-L656 PolarHBondContact O-N 3.45Å; L656-D658 PolarHBondContact O-N 3.26Å; L656-S659 PolarHBondContact O-N 3.03Å; L656-Y660 WeakPolarHBondContact O-CB 3.41Å; L656-Y660 PolarHBondContact O-N 3.45Å |
| 657 | V | 91.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | F410 I413 I653 R654 Y660 M661 | F410-V657 HydrophobicContact CD2-CG2 3.87Å; F410-V657 HydrophobicContact CE2-CG2 4.38Å; I413-V657 HydrophobicContact CB-CG2 4.13Å; I413-V657 HydrophobicContact CG2-CG1 4.11Å; I413-V657 HydrophobicContact CG2-CG2 3.78Å; I653-V657 HydrophobicContact CG2-CG2 4Å; I653-V657 WeakPolarHBondContact O-CB 3.45Å; I653-V657 VanDerWaalsContact O-CG2 3.23Å; I653-V657 WeakPolarHBondContact O-CG2 3.26Å; I653-V657 PolarHBondContact O-N 3.22Å; R654-V657 PolarHBondContact O-N 2.85Å; V657-Y660 PolarHBondContact O-N 2.99Å; V657-M661 HydrophobicContact CG1-CG 4.12Å; V657-M661 VanDerWaalsContact O-CB 3.31Å; V657-M661 WeakPolarHBondContact O-CB 3.47Å; V657-M661 VanDerWaalsContact O-CG 3.22Å; V657-M661 WeakPolarHBondContact O-CG 3.38Å; V657-M661 PolarHBondContact O-N 3.22Å |
| 658 | D | 89 | Confident | 91 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 28% | 0.283 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 179.7 | -178.7 | 42.3 | 0 | 0 | 0 | 112 | R654 L656 Y660 M661 K662 | R654-D658 WeakPolarHBondContact O-CB 3.27Å; R654-D658 PolarHBondContact O-N 3.37Å; L656-D658 PolarHBondContact O-N 3.26Å; D658-Y660 PolarHBondContact O-N 3.01Å; D658-M661 PolarHBondContact O-N 2.99Å; D658-K662 WeakPolarHBondContact O-CG 3.39Å; D658-K662 PolarHBondContact O-N 3.49Å; D658-K662 WeakPolarHBondContact OD1-CE 3.49Å; D658-K662 IonicContact OD1-NZ 3.32Å; D658-K662 WeakPolarHBondContact OD2-CE 3.45Å; D658-K662 IonicContact OD2-NZ 2.92Å; D658-K662 PolarHBondContact OD2-NZ 3.38Å |
| 659 | S | 91.2 | Very high | 91.5 | Very high | 10 Ų | 10 | 30 Ų | 30 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | I495 N655 L656 | I495-S659 PolarHBondContact N-OG 3.1Å; I495-S659 VanDerWaalsContact N-OG 3.17Å; N655-S659 WeakPolarHBondContact O-CB 3.47Å; N655-S659 PolarHBondContact O-N 3.48Å; L656-S659 PolarHBondContact O-N 3.03Å |
| 660 | Y | 93.9 | Very high | 92 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.8 | -42.1 | 179.4 | -162.2 | -95 | 0 | 0 | 0 | 111.9 | F410 T414 I418 M487 N488 F494 L656 V657 D658 K662 I663 V664 | F410-Y660 HydrophobicContact CZ-CD2 4.18Å; F410-Y660 AromaticContact CZ-CG 3.98Å; F410-Y660 HydrophobicContact CZ-CG 3.98Å; T414-Y660 HydrophobicContact CG2-CD1 3.34Å; T414-Y660 HydrophobicContact CG2-CE1 3.95Å; T414-Y660 HydrophobicContact CG2-CG 4.15Å; I418-Y660 HydrophobicContact CD1-CD1 4.43Å; I418-Y660 HydrophobicContact CD1-CE1 4Å; M487-Y660 VanDerWaalsContact CA-OH 3.26Å; M487-Y660 WeakPolarHBondContact CA-OH 3.48Å; M487-Y660 HydrophobicContact CB-CE2 4.43Å; M487-Y660 HydrophobicContact CG-CE1 4.33Å; N488-Y660 PolarHBondContact N-OH 3.49Å; F494-Y660 AromaticContact CD2-CD2 3.95Å; F494-Y660 HydrophobicContact CD2-CD2 3.95Å; F494-Y660 HydrophobicContact CE2-CD2 4.04Å; F494-Y660 HydrophobicContact CE2-CG 4.41Å; L656-Y660 WeakPolarHBondContact O-CB 3.41Å; L656-Y660 PolarHBondContact O-N 3.45Å; V657-Y660 PolarHBondContact O-N 2.99Å; D658-Y660 PolarHBondContact O-N 3.01Å; Y660-K662 VanDerWaalsContact C-N 3.32Å; Y660-K662 PolarHBondContact O-N 3.39Å; Y660-I663 WeakPolarHBondContact O-CB 3.35Å; Y660-I663 PolarHBondContact O-N 3.28Å; Y660-I663 VanDerWaalsContact O-N 3.11Å; Y660-V664 HydrophobicContact CD1-CG2 3.74Å; Y660-V664 HydrophobicContact CE1-CG2 3.44Å; Y660-V664 VanDerWaalsContact CE1-CG2 3.44Å; Y660-V664 PolarHBondContact O-N 2.93Å; Y660-V664 VanDerWaalsContact O-N 3.11Å |
| 661 | M | 92.5 | Very high | 92.4 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -37.3 | 179.2 | -75.3 | -56.5 | -58.8 | 0 | 0 | 112.3 | T414 Q417 I418 M421 V657 D658 I663 V664 I665 | T414-M661 HydrophobicContact CG2-SD 4.43Å; Q417-M661 HydrophobicContact CB-CE 3.71Å; Q417-M661 HydrophobicContact CB-CG 4.18Å; Q417-M661 HydrophobicContact CB-SD 3.53Å; Q417-M661 VanDerWaalsContact CB-SD 3.53Å; I418-M661 HydrophobicContact CG1-CE 4.45Å; I418-M661 HydrophobicContact CG1-SD 3.76Å; M421-M661 HydrophobicContact SD-CE 3.88Å; V657-M661 HydrophobicContact CG1-CG 4.12Å; V657-M661 VanDerWaalsContact O-CB 3.31Å; V657-M661 WeakPolarHBondContact O-CB 3.47Å; V657-M661 VanDerWaalsContact O-CG 3.22Å; V657-M661 WeakPolarHBondContact O-CG 3.38Å; V657-M661 PolarHBondContact O-N 3.22Å; D658-M661 PolarHBondContact O-N 2.99Å; M661-I663 VanDerWaalsContact C-N 3.26Å; M661-I663 PolarHBondContact O-N 2.93Å; M661-V664 PolarHBondContact O-N 3.04Å; M661-I665 HydrophobicContact CE-CD1 4.33Å; M661-I665 HydrophobicContact CE-CG1 4.35Å; M661-I665 WeakPolarHBondContact O-CB 3.45Å; M661-I665 VanDerWaalsContact O-CG1 3.25Å; M661-I665 WeakPolarHBondContact O-CG1 3.36Å; M661-I665 PolarHBondContact O-N 2.91Å |
| 662 | K | 91.1 | Very high | 92.8 | Very high | 120 Ų | 120 | 31.8 Ų | 31.8 | 52% | 0.522 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57 | -39.8 | 173.6 | -77.7 | 166.5 | 177.1 | 161.3 | 0 | 112.4 | D658 Y660 K666 | D658-K662 WeakPolarHBondContact O-CG 3.39Å; D658-K662 PolarHBondContact O-N 3.49Å; D658-K662 WeakPolarHBondContact OD1-CE 3.49Å; D658-K662 IonicContact OD1-NZ 3.32Å; D658-K662 WeakPolarHBondContact OD2-CE 3.45Å; D658-K662 IonicContact OD2-NZ 2.92Å; D658-K662 PolarHBondContact OD2-NZ 3.38Å; Y660-K662 VanDerWaalsContact C-N 3.32Å; Y660-K662 PolarHBondContact O-N 3.39Å; K662-K666 VanDerWaalsContact O-CB 3.27Å; K662-K666 WeakPolarHBondContact O-CB 3.23Å; K662-K666 PolarHBondContact O-N 3.39Å |
| 663 | I | 93.7 | Very high | 93.2 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.056 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.7 | -47.5 | 177.7 | -60.9 | 163.7 | 0 | 0 | 0 | 110.7 | H491 D493 F494 Y660 M661 K666 T667 | H491-I663 HydrophobicContact CB-CD1 4.25Å; H491-I663 WeakPolarHBondContact NE2-CG2 3.42Å; D493-I663 HydrophobicContact CB-CD1 4.05Å; D493-I663 HydrophobicContact CB-CG1 3.89Å; F494-I663 HydrophobicContact CB-CD1 3.78Å; F494-I663 HydrophobicContact CD2-CD1 4.38Å; Y660-I663 WeakPolarHBondContact O-CB 3.35Å; Y660-I663 PolarHBondContact O-N 3.28Å; Y660-I663 VanDerWaalsContact O-N 3.11Å; M661-I663 VanDerWaalsContact C-N 3.26Å; M661-I663 PolarHBondContact O-N 2.93Å; I663-K666 PolarHBondContact O-N 3.42Å; I663-T667 PolarHBondContact O-N 3.27Å; I663-T667 PolarHBondContact O-OG1 3.43Å |
| 664 | V | 94.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | -178.6 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | I418 M421 Q483 Y660 M661 T667 Q668 | I418-V664 HydrophobicContact CD1-CG1 4.42Å; I418-V664 HydrophobicContact CD1-CG2 4.05Å; I418-V664 HydrophobicContact CG1-CG1 4.15Å; I418-V664 HydrophobicContact CG1-CG2 4.39Å; I418-V664 HydrophobicContact CG2-CG1 4.41Å; M421-V664 HydrophobicContact CE-CG1 4.01Å; M421-V664 HydrophobicContact SD-CG1 3.75Å; Q483-V664 HydrophobicContact CB-CG1 4.18Å; Q483-V664 HydrophobicContact CG-CG1 4.05Å; Y660-V664 HydrophobicContact CD1-CG2 3.74Å; Y660-V664 HydrophobicContact CE1-CG2 3.44Å; Y660-V664 VanDerWaalsContact CE1-CG2 3.44Å; Y660-V664 PolarHBondContact O-N 2.93Å; Y660-V664 VanDerWaalsContact O-N 3.11Å; M661-V664 PolarHBondContact O-N 3.04Å; V664-T667 WeakPolarHBondContact O-CB 3.34Å; V664-T667 PolarHBondContact O-N 3Å; V664-Q668 WeakPolarHBondContact O-CB 3.38Å; V664-Q668 PolarHBondContact O-N 2.99Å |
| 665 | I | 93.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 37 Ų | 37 | 9% | 0.092 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 176.1 | -69.3 | 168.1 | 0 | 0 | 0 | 110.4 | M375 M421 M661 T667 Q668 L669 | M375-I665 HydrophobicContact CB-CG2 4.32Å; M421-I665 HydrophobicContact CE-CG1 4Å; M421-I665 HydrophobicContact SD-CG1 4.28Å; M661-I665 HydrophobicContact CE-CD1 4.33Å; M661-I665 HydrophobicContact CE-CG1 4.35Å; M661-I665 WeakPolarHBondContact O-CB 3.45Å; M661-I665 VanDerWaalsContact O-CG1 3.25Å; M661-I665 WeakPolarHBondContact O-CG1 3.36Å; M661-I665 PolarHBondContact O-N 2.91Å; I665-T667 VanDerWaalsContact C-N 3.29Å; I665-T667 PolarHBondContact O-N 2.86Å; I665-Q668 PolarHBondContact O-N 3.26Å; I665-Q668 VanDerWaalsContact O-N 3.16Å; I665-L669 HydrophobicContact CG2-CD1 3.89Å; I665-L669 HydrophobicContact CG2-CG 4.14Å; I665-L669 WeakPolarHBondContact O-CB 3.47Å; I665-L669 VanDerWaalsContact O-CG 3.28Å; I665-L669 WeakPolarHBondContact O-CG 3.38Å; I665-L669 PolarHBondContact O-N 2.8Å |
| 666 | K | 93.5 | Very high | 94.3 | Very high | 131 Ų | 131 | 36.6 Ų | 36.6 | 57% | 0.57 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -56.1 | -44.4 | 176.3 | -176.6 | -173.2 | 179 | -171.5 | 0 | 111.7 | D493 K662 I663 D670 | D493-K666 IonicContact OD2-NZ 2.67Å; D493-K666 PolarHBondContact OD2-NZ 3.43Å; D493-K666 VanDerWaalsContact OD2-NZ 3.08Å; K662-K666 VanDerWaalsContact O-CB 3.27Å; K662-K666 WeakPolarHBondContact O-CB 3.23Å; K662-K666 PolarHBondContact O-N 3.39Å; I663-K666 PolarHBondContact O-N 3.42Å; K666-D670 PolarHBondContact O-N 3.35Å |
| 667 | T | 94.8 | Very high | 94.5 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63 | -45.4 | 176.2 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | I663 V664 I665 L669 D670 L671 | I663-T667 PolarHBondContact O-N 3.27Å; I663-T667 PolarHBondContact O-OG1 3.43Å; V664-T667 WeakPolarHBondContact O-CB 3.34Å; V664-T667 PolarHBondContact O-N 3Å; I665-T667 VanDerWaalsContact C-N 3.29Å; I665-T667 PolarHBondContact O-N 2.86Å; T667-L669 PolarHBondContact O-N 2.78Å; T667-D670 PolarHBondContact O-N 3.49Å; T667-L671 HydrophobicContact CG2-CD1 3.59Å; T667-L671 HydrophobicContact CG2-CG 4.2Å; T667-L671 WeakPolarHBondContact O-CB 3.36Å; T667-L671 WeakPolarHBondContact O-CG 3.28Å; T667-L671 PolarHBondContact O-N 3.07Å |
| 668 | Q | 94.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | -179.2 | -164.4 | 72.1 | 4.2 | 0 | 0 | 112.4 | M375 M421 S425 V664 I665 D670 L671 V672 | M375-Q668 HydrophobicContact CE-CG 4.18Å; M421-Q668 HydrophobicContact CE-CB 3.33Å; M421-Q668 HydrophobicContact CE-CG 3.62Å; S425-Q668 PolarHBondContact OG-NE2 3.01Å; V664-Q668 WeakPolarHBondContact O-CB 3.38Å; V664-Q668 PolarHBondContact O-N 2.99Å; I665-Q668 PolarHBondContact O-N 3.26Å; I665-Q668 VanDerWaalsContact O-N 3.16Å; Q668-D670 PolarHBondContact O-N 3.14Å; Q668-L671 PolarHBondContact O-N 2.85Å; Q668-V672 HydrophobicContact CG-CG2 3.77Å; Q668-V672 WeakPolarHBondContact O-CB 3.42Å; Q668-V672 WeakPolarHBondContact O-CG2 3.46Å; Q668-V672 PolarHBondContact O-N 2.93Å |
| 669 | L | 95.2 | Very high | 95.1 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -23.8 | 177.2 | -69.6 | -178.7 | 0 | 0 | 0 | 113.1 | L371 P372 M375 I665 T667 P673 | L371-L669 HydrophobicContact CD2-CD2 4.03Å; L371-L669 HydrophobicContact CG-CD2 3.69Å; P372-L669 HydrophobicContact CB-CD1 4.25Å; P372-L669 HydrophobicContact CB-CD2 4.25Å; P372-L669 HydrophobicContact CG-CD1 4.31Å; P372-L669 HydrophobicContact CG-CD2 3.94Å; M375-L669 HydrophobicContact CB-CD2 4.27Å; M375-L669 HydrophobicContact CG-CD2 3.81Å; I665-L669 HydrophobicContact CG2-CD1 3.89Å; I665-L669 HydrophobicContact CG2-CG 4.14Å; I665-L669 WeakPolarHBondContact O-CB 3.47Å; I665-L669 VanDerWaalsContact O-CG 3.28Å; I665-L669 WeakPolarHBondContact O-CG 3.38Å; I665-L669 PolarHBondContact O-N 2.8Å; T667-L669 PolarHBondContact O-N 2.78Å; L669-P673 VanDerWaalsContact O-CD 3.26Å; L669-P673 WeakPolarHBondContact O-CD 3.19Å; L669-P673 WeakPolarHBondContact O-CG 3.38Å |
| 670 | D | 96 | Very high | 95.3 | Very high | 76 Ų | 76 | 43.5 Ų | 43.5 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -88.6 | -44.7 | 174.9 | 179.5 | 69.3 | 0 | 0 | 0 | 112.3 | K666 T667 Q668 K674 | K666-D670 PolarHBondContact O-N 3.35Å; T667-D670 PolarHBondContact O-N 3.49Å; Q668-D670 PolarHBondContact O-N 3.14Å; D670-K674 WeakPolarHBondContact O-CD 3.34Å; D670-K674 WeakPolarHBondContact O-CG 3.42Å; D670-K674 WeakPolarHBondContact OD1-CE 3.43Å; D670-K674 IonicContact OD1-NZ 2.88Å; D670-K674 PolarHBondContact OD1-NZ 3.17Å; D670-K674 WeakPolarHBondContact OD2-CE 3.43Å; D670-K674 IonicContact OD2-NZ 3.12Å; D670-K674 PolarHBondContact OD2-NZ 2.97Å |
| 671 | L | 97.1 | Very high | 95.3 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -78.9 | -37 | -171.8 | -68.6 | -177.4 | 0 | 0 | 0 | 113.9 | L479 T667 Q668 K674 L675 | L479-L671 HydrophobicContact CD1-CB 4.38Å; L479-L671 HydrophobicContact CD1-CD1 3.68Å; L479-L671 HydrophobicContact CD2-CB 3.71Å; L479-L671 HydrophobicContact CD2-CD1 4.49Å; T667-L671 HydrophobicContact CG2-CD1 3.59Å; T667-L671 HydrophobicContact CG2-CG 4.2Å; T667-L671 WeakPolarHBondContact O-CB 3.36Å; T667-L671 WeakPolarHBondContact O-CG 3.28Å; T667-L671 PolarHBondContact O-N 3.07Å; Q668-L671 PolarHBondContact O-N 2.85Å; L671-K674 PolarHBondContact O-N 3Å; L671-L675 WeakPolarHBondContact O-CB 3.38Å; L671-L675 PolarHBondContact O-N 3.46Å |
| 672 | V | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -49.1 | -179.6 | 171 | 0 | 0 | 0 | 0 | 112 | L371 C428 I476 L479 Q668 K674 L675 L676 | L371-V672 HydrophobicContact CD2-CB 4.23Å; L371-V672 HydrophobicContact CD2-CG1 4.17Å; C428-V672 HydrophobicContact CB-CG1 4.46Å; I476-V672 HydrophobicContact CD1-CG1 4.4Å; L479-V672 HydrophobicContact CD2-CG2 4.04Å; Q668-V672 HydrophobicContact CG-CG2 3.77Å; Q668-V672 WeakPolarHBondContact O-CB 3.42Å; Q668-V672 WeakPolarHBondContact O-CG2 3.46Å; Q668-V672 PolarHBondContact O-N 2.93Å; V672-K674 PolarHBondContact O-N 3.21Å; V672-L675 PolarHBondContact O-N 2.96Å; V672-L676 HydrophobicContact CG1-CD1 3.97Å; V672-L676 PolarHBondContact O-N 2.98Å |
| 673 | P | 97.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 174.5 | -28.1 | 38.2 | 0 | 0 | 0 | 113.5 | F367 L371 L669 L675 L676 M677 | F367-P673 HydrophobicContact CB-CB 4.1Å; F367-P673 HydrophobicContact CB-CG 4.04Å; F367-P673 HydrophobicContact CD1-CB 3.78Å; F367-P673 HydrophobicContact CD1-CG 3.92Å; F367-P673 HydrophobicContact CD2-CB 4Å; F367-P673 HydrophobicContact CE1-CB 4.13Å; F367-P673 HydrophobicContact CE2-CB 4.33Å; F367-P673 HydrophobicContact CG-CB 3.71Å; F367-P673 HydrophobicContact CG-CG 4.03Å; F367-P673 HydrophobicContact CZ-CB 4.4Å; L371-P673 HydrophobicContact CD2-CG 4.03Å; L669-P673 VanDerWaalsContact O-CD 3.26Å; L669-P673 WeakPolarHBondContact O-CD 3.19Å; L669-P673 WeakPolarHBondContact O-CG 3.38Å; P673-L675 VanDerWaalsContact C-N 3.31Å; P673-L675 PolarHBondContact O-N 2.79Å; P673-L676 PolarHBondContact O-N 3.29Å; P673-M677 WeakPolarHBondContact O-CB 3.39Å; P673-M677 VanDerWaalsContact O-CG 3.3Å; P673-M677 WeakPolarHBondContact O-CG 3.49Å; P673-M677 PolarHBondContact O-N 2.85Å |
| 674 | K | 97.7 | Very high | 95.7 | Very high | 116 Ų | 116 | 42.5 Ų | 42.5 | 50% | 0.504 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 178.2 | -73.8 | 173.8 | -177.3 | 171.9 | 0 | 111.9 | D670 L671 V672 M677 H678 | D670-K674 WeakPolarHBondContact O-CD 3.34Å; D670-K674 WeakPolarHBondContact O-CG 3.42Å; D670-K674 WeakPolarHBondContact OD1-CE 3.43Å; D670-K674 IonicContact OD1-NZ 2.88Å; D670-K674 PolarHBondContact OD1-NZ 3.17Å; D670-K674 WeakPolarHBondContact OD2-CE 3.43Å; D670-K674 IonicContact OD2-NZ 3.12Å; D670-K674 PolarHBondContact OD2-NZ 2.97Å; L671-K674 PolarHBondContact O-N 3Å; V672-K674 PolarHBondContact O-N 3.21Å; K674-M677 PolarHBondContact O-N 3.34Å; K674-H678 WeakPolarHBondContact O-CB 3.38Å; K674-H678 PolarHBondContact O-N 2.98Å |
| 675 | L | 97.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -48.7 | 178.2 | -173.3 | 71.5 | 0 | 0 | 0 | 111.6 | Q475 I476 L671 V672 P673 M677 H678 M679 | Q475-L675 HydrophobicContact CB-CD1 4.34Å; Q475-L675 HydrophobicContact CB-CD2 3.95Å; Q475-L675 HydrophobicContact CG-CD1 3.49Å; Q475-L675 VanDerWaalsContact CG-CD1 3.49Å; Q475-L675 HydrophobicContact CG-CD2 3.77Å; Q475-L675 HydrophobicContact CG-CG 4.18Å; I476-L675 HydrophobicContact CB-CD2 4.46Å; I476-L675 HydrophobicContact CG1-CD2 3.58Å; L671-L675 WeakPolarHBondContact O-CB 3.38Å; L671-L675 PolarHBondContact O-N 3.46Å; V672-L675 PolarHBondContact O-N 2.96Å; P673-L675 VanDerWaalsContact C-N 3.31Å; P673-L675 PolarHBondContact O-N 2.79Å; L675-M677 PolarHBondContact O-N 3.11Å; L675-H678 PolarHBondContact O-N 3.29Å; L675-M679 HydrophobicContact CD1-CG 4.21Å; L675-M679 HydrophobicContact CD1-SD 3.57Å; L675-M679 VanDerWaalsContact CD1-SD 3.57Å; L675-M679 HydrophobicContact CG-SD 3.89Å; L675-M679 WeakPolarHBondContact O-CB 3.4Å; L675-M679 WeakPolarHBondContact O-CG 3.4Å; L675-M679 PolarHBondContact O-N 3.34Å |
| 676 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 177.7 | -69.5 | 170 | 0 | 0 | 0 | 111.9 | F367 A429 V432 A472 I476 V672 P673 H678 L680 V681 | F367-L676 HydrophobicContact CE1-CB 4.17Å; F367-L676 HydrophobicContact CE1-CD1 3.83Å; F367-L676 HydrophobicContact CZ-CB 4.03Å; A429-L676 HydrophobicContact CB-CD1 4.34Å; A429-L676 HydrophobicContact CB-CD2 3.74Å; V432-L676 HydrophobicContact CG2-CD1 4.26Å; A472-L676 HydrophobicContact CB-CD2 4.24Å; I476-L676 HydrophobicContact CD1-CD1 4.48Å; I476-L676 HydrophobicContact CD1-CD2 4.01Å; I476-L676 HydrophobicContact CD1-CG 4.29Å; V672-L676 HydrophobicContact CG1-CD1 3.97Å; V672-L676 PolarHBondContact O-N 2.98Å; P673-L676 PolarHBondContact O-N 3.29Å; L676-H678 PolarHBondContact O-N 2.71Å; L676-L680 HydrophobicContact CD2-CD1 3.61Å; L676-L680 WeakPolarHBondContact O-CA 3.34Å; L676-L680 VanDerWaalsContact O-CB 3.3Å; L676-L680 WeakPolarHBondContact O-CB 3.46Å; L676-L680 PolarHBondContact O-N 3.47Å; L676-V681 PolarHBondContact O-N 3.4Å |
| 677 | M | 96.4 | Very high | 95.8 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 32% | 0.315 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -60.4 | -44.9 | 172.9 | -79.1 | -63.9 | -62.7 | 0 | 0 | 111.9 | F367 P673 K674 L675 V681 N682 | F367-M677 HydrophobicContact CE2-CG 3.9Å; F367-M677 HydrophobicContact CE2-SD 4.02Å; F367-M677 HydrophobicContact CZ-CG 4.37Å; P673-M677 WeakPolarHBondContact O-CB 3.39Å; P673-M677 VanDerWaalsContact O-CG 3.3Å; P673-M677 WeakPolarHBondContact O-CG 3.49Å; P673-M677 PolarHBondContact O-N 2.85Å; K674-M677 PolarHBondContact O-N 3.34Å; L675-M677 PolarHBondContact O-N 3.11Å; M677-V681 HydrophobicContact CE-CB 4.24Å; M677-V681 HydrophobicContact CE-CG1 4.03Å; M677-V681 PolarHBondContact O-N 3.3Å; M677-V681 HydrophobicContact SD-CB 3.78Å; M677-V681 HydrophobicContact SD-CG1 3.91Å; M677-V681 HydrophobicContact SD-CG2 3.82Å; M677-N682 VanDerWaalsContact O-CB 3.29Å; M677-N682 WeakPolarHBondContact O-CB 3.47Å; M677-N682 VanDerWaalsContact O-CG 3.25Å; M677-N682 PolarHBondContact O-N 3.4Å; M677-N682 PolarHBondContact O-ND2 3.19Å |
| 678 | H | 96.6 | Very high | 95.8 | Very high | 121 Ų | 121 | 39.4 Ų | 39.4 | 56% | 0.56 | 20% | 0.202 | S | C | * | . | I | π-helix | trans | -68.5 | -51.5 | -179.3 | -177.2 | 65.8 | 0 | 0 | 0 | 112.2 | K674 L675 L676 E683 | K674-H678 WeakPolarHBondContact O-CB 3.38Å; K674-H678 PolarHBondContact O-N 2.98Å; L675-H678 PolarHBondContact O-N 3.29Å; L676-H678 PolarHBondContact O-N 2.71Å; H678-E683 WeakPolarHBondContact O-CG 3.41Å |
| 679 | M | 96.1 | Very high | 95.7 | Very high | 33 Ų | 33 | 46.7 Ų | 46.7 | 16% | 0.163 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -85.3 | -18.2 | -170.5 | -62.7 | -175.4 | 72 | 0 | 0 | 114.7 | R471 A472 Q475 L675 E683 | R471-M679 HydrophobicContact CB-CE 3.93Å; A472-M679 HydrophobicContact CB-CB 4.33Å; A472-M679 HydrophobicContact CB-SD 4.42Å; Q475-M679 HydrophobicContact CB-CE 4.25Å; Q475-M679 HydrophobicContact CB-SD 3.87Å; Q475-M679 HydrophobicContact CG-SD 3.96Å; L675-M679 HydrophobicContact CD1-CG 4.21Å; L675-M679 HydrophobicContact CD1-SD 3.57Å; L675-M679 VanDerWaalsContact CD1-SD 3.57Å; L675-M679 HydrophobicContact CG-SD 3.89Å; L675-M679 WeakPolarHBondContact O-CB 3.4Å; L675-M679 WeakPolarHBondContact O-CG 3.4Å; L675-M679 PolarHBondContact O-N 3.34Å; M679-E683 VanDerWaalsContact O-OE2 3.11Å |
| 680 | L | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -118.3 | -68.3 | 179.6 | -61.6 | 170.5 | 0 | 0 | 0 | 111.2 | V432 V433 L436 R468 A472 L676 N682 E683 I684 | V432-L680 HydrophobicContact CG1-CD1 4.46Å; V433-L680 HydrophobicContact CG2-CD1 4.05Å; L436-L680 HydrophobicContact CD1-CB 4Å; R468-L680 HydrophobicContact CB-CD2 3.59Å; A472-L680 HydrophobicContact CB-CD1 4.34Å; A472-L680 HydrophobicContact CB-CG 4.3Å; L676-L680 HydrophobicContact CD2-CD1 3.61Å; L676-L680 WeakPolarHBondContact O-CA 3.34Å; L676-L680 VanDerWaalsContact O-CB 3.3Å; L676-L680 WeakPolarHBondContact O-CB 3.46Å; L676-L680 PolarHBondContact O-N 3.47Å; L680-N682 PolarHBondContact O-N 2.92Å; L680-E683 PolarHBondContact O-N 3.33Å; L680-I684 WeakPolarHBondContact O-CB 3.5Å; L680-I684 WeakPolarHBondContact O-CG2 3.17Å; L680-I684 PolarHBondContact O-N 2.78Å |
| 681 | V | 94.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -66.9 | -39.6 | -165.8 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | I345 V432 L436 L676 M677 I684 K685 | I345-V681 HydrophobicContact CG2-CG1 3.69Å; V432-V681 HydrophobicContact CG1-CG2 4.47Å; L436-V681 HydrophobicContact CD1-CG2 4.47Å; L436-V681 HydrophobicContact CD2-CG2 4.48Å; L676-V681 PolarHBondContact O-N 3.4Å; M677-V681 HydrophobicContact CE-CB 4.24Å; M677-V681 HydrophobicContact CE-CG1 4.03Å; M677-V681 PolarHBondContact O-N 3.3Å; M677-V681 HydrophobicContact SD-CB 3.78Å; M677-V681 HydrophobicContact SD-CG1 3.91Å; M677-V681 HydrophobicContact SD-CG2 3.82Å; V681-I684 VanDerWaalsContact O-CG2 3.31Å; V681-I684 WeakPolarHBondContact O-CG2 3.46Å; V681-K685 WeakPolarHBondContact O-CG 3.42Å |
| 682 | N | 93.9 | Very high | 95.3 | Very high | 77 Ų | 77 | 45.1 Ų | 45.1 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -82 | -37.6 | 178.9 | -68.7 | -24.3 | 0 | 0 | 0 | 112 | M677 L680 K685 S686 | M677-N682 VanDerWaalsContact O-CB 3.29Å; M677-N682 WeakPolarHBondContact O-CB 3.47Å; M677-N682 VanDerWaalsContact O-CG 3.25Å; M677-N682 PolarHBondContact O-N 3.4Å; M677-N682 PolarHBondContact O-ND2 3.19Å; L680-N682 PolarHBondContact O-N 2.92Å; N682-K685 PolarHBondContact O-N 2.91Å; N682-S686 PolarHBondContact O-N 3.43Å |
| 683 | E | 95 | Very high | 95.1 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -36.5 | 178.7 | -84.3 | -169.2 | 169.3 | 0 | 0 | 112.4 | W464 R468 H678 M679 L680 K685 S686 F687 | W464-E683 VanDerWaalsContact CH2-C 3.45Å; W464-E683 HydrophobicContact CH2-CB 3.62Å; W464-E683 HydrophobicContact CZ2-CB 3.82Å; R468-E683 VanDerWaalsContact CD-OE2 3.3Å; R468-E683 WeakPolarHBondContact CD-OE2 3.47Å; R468-E683 IonicContact CZ-OE2 2.82Å; R468-E683 IonicContact NE-OE2 3.51Å; R468-E683 PolarHBondContact NE-OE2 2.89Å; R468-E683 VanDerWaalsContact NH1-CD 3.34Å; R468-E683 IonicContact NH1-OE1 2.8Å; R468-E683 PolarHBondContact NH1-OE1 2.84Å; R468-E683 IonicContact NH1-OE2 3.19Å; R468-E683 PolarHBondContact NH1-OE2 3.31Å; R468-E683 IonicContact NH2-OE2 2.8Å; H678-E683 WeakPolarHBondContact O-CG 3.41Å; M679-E683 VanDerWaalsContact O-OE2 3.11Å; L680-E683 PolarHBondContact O-N 3.33Å; E683-K685 VanDerWaalsContact C-N 3.32Å; E683-K685 PolarHBondContact O-N 2.62Å; E683-S686 WeakPolarHBondContact O-CB 3.35Å; E683-S686 PolarHBondContact O-N 3.34Å; E683-S686 VanDerWaalsContact O-N 3.16Å; E683-F687 PolarHBondContact O-N 3.34Å |
| 684 | I | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 178.8 | -166.2 | 167.9 | 0 | 0 | 0 | 111.1 | F341 V461 W464 I465 L680 V681 S686 F687 L688 | F341-I684 HydrophobicContact CE1-CG2 3.66Å; F341-I684 HydrophobicContact CE2-CD1 4.27Å; F341-I684 HydrophobicContact CZ-CD1 3.85Å; F341-I684 HydrophobicContact CZ-CG1 4.26Å; F341-I684 HydrophobicContact CZ-CG2 3.71Å; V461-I684 HydrophobicContact CG1-CD1 3.9Å; W464-I684 HydrophobicContact CE3-CB 4.12Å; W464-I684 HydrophobicContact CE3-CD1 4.2Å; W464-I684 HydrophobicContact CE3-CG1 3.96Å; W464-I684 HydrophobicContact CH2-CB 3.73Å; W464-I684 HydrophobicContact CH2-CG1 4.42Å; W464-I684 HydrophobicContact CZ3-CB 3.4Å; W464-I684 VanDerWaalsContact CZ3-CB 3.4Å; W464-I684 HydrophobicContact CZ3-CD1 4.14Å; W464-I684 HydrophobicContact CZ3-CG1 3.77Å; I465-I684 HydrophobicContact CD1-CD1 3.75Å; I465-I684 HydrophobicContact CG1-CD1 3.65Å; L680-I684 WeakPolarHBondContact O-CB 3.5Å; L680-I684 WeakPolarHBondContact O-CG2 3.17Å; L680-I684 PolarHBondContact O-N 2.78Å; V681-I684 VanDerWaalsContact O-CG2 3.31Å; V681-I684 WeakPolarHBondContact O-CG2 3.46Å; I684-S686 VanDerWaalsContact C-N 3.28Å; I684-S686 PolarHBondContact O-N 3.34Å; I684-F687 WeakPolarHBondContact O-CB 3.39Å; I684-F687 PolarHBondContact O-N 3.42Å; I684-F687 VanDerWaalsContact O-N 3.14Å; I684-L688 HydrophobicContact CG1-CG 4.32Å; I684-L688 VanDerWaalsContact O-CG 3.27Å; I684-L688 WeakPolarHBondContact O-CG 3.36Å; I684-L688 PolarHBondContact O-N 2.84Å |
| 685 | K | 93.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 174.9 | -68.7 | 174.2 | -179.3 | -172.6 | 0 | 111.6 | F341 I345 D346 V681 N682 E683 K689 | F341-K685 HydrophobicContact CE1-CG 4.32Å; I345-K685 VanDerWaalsContact CG2-CE 3.46Å; D346-K685 IonicContact OD1-NZ 2.56Å; D346-K685 PolarHBondContact OD1-NZ 2.87Å; D346-K685 IonicContact OD2-NZ 3.89Å; D346-K685 PolarHBondContact OD2-NZ 2.96Å; V681-K685 WeakPolarHBondContact O-CG 3.42Å; N682-K685 PolarHBondContact O-N 2.91Å; E683-K685 VanDerWaalsContact C-N 3.32Å; E683-K685 PolarHBondContact O-N 2.62Å; K685-K689 PolarHBondContact O-N 3.46Å |
| 686 | S | 93.8 | Very high | 94.4 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 59% | 0.594 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65.3 | -43.1 | 175.3 | -167.4 | 0 | 0 | 0 | 0 | 112 | N682 E683 I684 K689 G690 | N682-S686 PolarHBondContact O-N 3.43Å; E683-S686 WeakPolarHBondContact O-CB 3.35Å; E683-S686 PolarHBondContact O-N 3.34Å; E683-S686 VanDerWaalsContact O-N 3.16Å; I684-S686 VanDerWaalsContact C-N 3.28Å; I684-S686 PolarHBondContact O-N 3.34Å; S686-K689 PolarHBondContact O-N 2.63Å; S686-G690 PolarHBondContact O-N 3.47Å |
| 687 | F | 96.2 | Very high | 94 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 176.7 | 172.7 | -101.4 | 0 | 0 | 0 | 112.3 | I460 V461 W464 E683 I684 K689 G690 E691 L692 N695 | I460-F687 HydrophobicContact CG2-CE1 4.2Å; I460-F687 HydrophobicContact CG2-CZ 3.72Å; V461-F687 HydrophobicContact CG2-CE1 4.24Å; W464-F687 HydrophobicContact CB-CD1 4.46Å; W464-F687 HydrophobicContact CB-CE1 4.09Å; W464-F687 HydrophobicContact CB-CZ 4.13Å; W464-F687 AromaticContact CD1-CD2 3.33Å; W464-F687 AromaticContact CD1-CE2 3.43Å; W464-F687 VanDerWaalsContact CD1-CE2 3.43Å; W464-F687 AromaticContact CD1-CG 3.67Å; W464-F687 AromaticContact CD1-CZ 3.86Å; W464-F687 HydrophobicContact CD2-CB 4.37Å; W464-F687 HydrophobicContact CD2-CD1 4.19Å; W464-F687 HydrophobicContact CD2-CG 4.1Å; W464-F687 AromaticContact CE2-CG 3.85Å; W464-F687 AromaticContact CG-CD1 4Å; W464-F687 HydrophobicContact CG-CD1 4Å; W464-F687 HydrophobicContact CG-CD2 4.06Å; W464-F687 HydrophobicContact CG-CE1 4.04Å; W464-F687 HydrophobicContact CG-CE2 4.11Å; W464-F687 HydrophobicContact CG-CG 4Å; W464-F687 HydrophobicContact CG-CZ 4.1Å; W464-F687 HydrophobicContact CZ2-CB 4Å; W464-F687 AromaticContact NE1-CD2 3.32Å; W464-F687 VanDerWaalsContact NE1-CD2 3.32Å; W464-F687 AromaticContact NE1-CE2 3.94Å; W464-F687 AromaticContact NE1-CG 3.52Å; E683-F687 PolarHBondContact O-N 3.34Å; I684-F687 WeakPolarHBondContact O-CB 3.39Å; I684-F687 PolarHBondContact O-N 3.42Å; I684-F687 VanDerWaalsContact O-N 3.14Å; F687-K689 VanDerWaalsContact C-N 3.3Å; F687-K689 PolarHBondContact O-N 2.92Å; F687-G690 PolarHBondContact O-N 2.99Å; F687-E691 HydrophobicContact CD2-CB 3.46Å; F687-E691 VanDerWaalsContact CD2-CB 3.46Å; F687-E691 HydrophobicContact CD2-CG 4.17Å; F687-E691 HydrophobicContact CE2-CB 3.67Å; F687-E691 HydrophobicContact CG-CB 4.35Å; F687-E691 PolarHBondContact O-N 2.79Å; F687-L692 PolarHBondContact O-N 3.4Å; F687-N695 WeakPolarHBondContact CE2-ND2 3.17Å |
| 688 | L | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 178.7 | -68.6 | -176.7 | 0 | 0 | 0 | 112.2 | F337 E338 F341 V461 I684 L692 | F337-L688 HydrophobicContact CD1-CD2 4.41Å; F337-L688 HydrophobicContact CE1-CD1 4.43Å; F337-L688 HydrophobicContact CE1-CD2 3.59Å; F337-L688 HydrophobicContact CZ-CD2 4.34Å; E338-L688 HydrophobicContact CG-CB 4.42Å; F341-L688 HydrophobicContact CB-CD1 3.79Å; F341-L688 HydrophobicContact CD1-CD1 3.34Å; F341-L688 HydrophobicContact CD2-CD1 4.02Å; F341-L688 HydrophobicContact CE1-CD1 3.9Å; F341-L688 HydrophobicContact CE2-CD1 4.5Å; F341-L688 HydrophobicContact CG-CD1 3.41Å; F341-L688 VanDerWaalsContact CG-CD1 3.41Å; F341-L688 HydrophobicContact CZ-CD1 4.45Å; V461-L688 HydrophobicContact CG1-CD2 4.42Å; V461-L688 HydrophobicContact CG2-CD2 3.78Å; I684-L688 HydrophobicContact CG1-CG 4.32Å; I684-L688 VanDerWaalsContact O-CG 3.27Å; I684-L688 WeakPolarHBondContact O-CG 3.36Å; I684-L688 PolarHBondContact O-N 2.84Å; L688-L692 HydrophobicContact CD2-CD2 3.83Å |
| 689 | K | 91.4 | Very high | 92.9 | Very high | 155 Ų | 155 | 49.8 Ų | 49.8 | 67% | 0.674 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -74.8 | -36.7 | -178.7 | -174.6 | 173.1 | -179 | 177.4 | 0 | 114 | E338 K685 S686 F687 | E338-K689 WeakPolarHBondContact OE1-CB 3.48Å; E338-K689 WeakPolarHBondContact OE1-CG 3.46Å; K685-K689 PolarHBondContact O-N 3.46Å; S686-K689 PolarHBondContact O-N 2.63Å; F687-K689 VanDerWaalsContact C-N 3.3Å; F687-K689 PolarHBondContact O-N 2.92Å |
| 690 | G | 90.3 | Very high | 91.8 | Very high | 43 Ų | 43 | 50 Ų | 50 | 44% | 0.443 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -106.5 | -40 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S686 F687 P694 | S686-G690 PolarHBondContact O-N 3.47Å; F687-G690 PolarHBondContact O-N 2.99Å; G690-P694 WeakPolarHBondContact O-CD 2.88Å |
| 691 | E | 94.6 | Very high | 91.2 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -23.8 | -162.5 | -64.3 | -65.8 | 159.8 | 0 | 0 | 113 | F687 L693 P694 N695 | F687-E691 HydrophobicContact CD2-CB 3.46Å; F687-E691 VanDerWaalsContact CD2-CB 3.46Å; F687-E691 HydrophobicContact CD2-CG 4.17Å; F687-E691 HydrophobicContact CE2-CB 3.67Å; F687-E691 HydrophobicContact CG-CB 4.35Å; F687-E691 PolarHBondContact O-N 2.79Å; E691-L693 PolarHBondContact O-N 2.73Å; E691-P694 WeakPolarHBondContact O-CD 3.32Å; E691-N695 WeakPolarHBondContact O-CB 3.43Å; E691-N695 VanDerWaalsContact O-CG 3.24Å; E691-N695 PolarHBondContact O-N 3.5Å; E691-N695 VanDerWaalsContact O-N 3.09Å; E691-N695 PolarHBondContact O-ND2 3.21Å |
| 692 | L | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | -178.9 | 176.2 | 60.4 | 0 | 0 | 0 | 112.2 | V334 F337 T457 I460 V461 F687 L688 N695 L696 | V334-L692 HydrophobicContact CG1-CD2 4Å; V334-L692 HydrophobicContact CG1-CG 4.35Å; F337-L692 HydrophobicContact CD1-CD2 3.74Å; F337-L692 HydrophobicContact CE1-CD2 3.75Å; T457-L692 HydrophobicContact CG2-CD1 4.33Å; T457-L692 HydrophobicContact CG2-CD2 4.18Å; I460-L692 HydrophobicContact CG2-CD1 4.03Å; V461-L692 HydrophobicContact CG2-CD1 4.09Å; F687-L692 PolarHBondContact O-N 3.4Å; L688-L692 HydrophobicContact CD2-CD2 3.83Å; L692-N695 PolarHBondContact O-N 3.24Å; L692-L696 HydrophobicContact CD1-CD1 4.04Å; L692-L696 HydrophobicContact CD1-CG 4.13Å; L692-L696 HydrophobicContact CG-CD1 3.96Å; L692-L696 HydrophobicContact CG-CG 4.48Å; L692-L696 WeakPolarHBondContact O-CG 3.49Å; L692-L696 PolarHBondContact O-N 3.33Å |
| 693 | L | 92.9 | Very high | 90.3 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.9 | -48.3 | -177 | -177.7 | 68.2 | 0 | 0 | 0 | 112.2 | L330 L331 V334 E691 N695 L696 Y697 | L330-L693 HydrophobicContact CD2-CD1 4.13Å; L330-L693 HydrophobicContact CG-CD1 4Å; L331-L693 HydrophobicContact CD1-CD2 3.75Å; V334-L693 HydrophobicContact CB-CD1 4.48Å; V334-L693 HydrophobicContact CG1-CB 4.38Å; V334-L693 HydrophobicContact CG2-CD1 4.17Å; E691-L693 PolarHBondContact O-N 2.73Å; L693-N695 VanDerWaalsContact C-N 3.31Å; L693-N695 PolarHBondContact O-N 3.19Å; L693-L696 PolarHBondContact O-N 3Å; L693-Y697 HydrophobicContact CD1-CD2 4.25Å; L693-Y697 HydrophobicContact CD1-CE2 3.7Å; L693-Y697 HydrophobicContact CD2-CE2 4.22Å; L693-Y697 HydrophobicContact CG-CD2 4.09Å; L693-Y697 HydrophobicContact CG-CE2 3.68Å; L693-Y697 WeakPolarHBondContact O-CD2 3.44Å; L693-Y697 PolarHBondContact O-N 3.08Å; L693-Y697 VanDerWaalsContact O-N 3.13Å |
| 694 | P | 92.5 | Very high | 89.8 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -53.8 | -42.6 | 170.2 | -27.8 | 34.2 | 0 | 0 | 0 | 114.1 | G690 E691 L696 Y697 Q698 | G690-P694 WeakPolarHBondContact O-CD 2.88Å; E691-P694 WeakPolarHBondContact O-CD 3.32Å; P694-L696 PolarHBondContact O-N 2.96Å; P694-Y697 PolarHBondContact O-N 3.37Å; P694-Q698 WeakPolarHBondContact O-CG 3.33Å; P694-Q698 PolarHBondContact O-N 2.83Å |
| 695 | N | 93.2 | Very high | 89.4 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 178.9 | -74.1 | -37.8 | 0 | 0 | 0 | 112.4 | I460 F687 E691 L692 L693 Q698 A699 | I460-N695 HydrophobicContact CD1-CB 4.2Å; I460-N695 HydrophobicContact CG2-CB 4.18Å; F687-N695 WeakPolarHBondContact CE2-ND2 3.17Å; E691-N695 WeakPolarHBondContact O-CB 3.43Å; E691-N695 VanDerWaalsContact O-CG 3.24Å; E691-N695 PolarHBondContact O-N 3.5Å; E691-N695 VanDerWaalsContact O-N 3.09Å; E691-N695 PolarHBondContact O-ND2 3.21Å; L692-N695 PolarHBondContact O-N 3.24Å; L693-N695 VanDerWaalsContact C-N 3.31Å; L693-N695 PolarHBondContact O-N 3.19Å; N695-Q698 PolarHBondContact O-N 3.29Å; N695-A699 WeakPolarHBondContact O-CB 3.42Å; N695-A699 PolarHBondContact O-N 3.3Å |
| 696 | L | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 174.8 | -73.8 | 168.7 | 0 | 0 | 0 | 112.5 | L330 V334 L453 E456 I460 L692 L693 P694 Q698 A699 L705 | L330-L696 HydrophobicContact CD1-CD1 4.45Å; V334-L696 HydrophobicContact CG2-CD1 3.53Å; L453-L696 HydrophobicContact CD1-CD1 4.06Å; L453-L696 HydrophobicContact CD1-CD2 4.03Å; E456-L696 HydrophobicContact CB-CD2 4.2Å; I460-L696 HydrophobicContact CD1-CD2 3.8Å; I460-L696 HydrophobicContact CD1-CG 4.23Å; L692-L696 HydrophobicContact CD1-CD1 4.04Å; L692-L696 HydrophobicContact CD1-CG 4.13Å; L692-L696 HydrophobicContact CG-CD1 3.96Å; L692-L696 HydrophobicContact CG-CG 4.48Å; L692-L696 WeakPolarHBondContact O-CG 3.49Å; L692-L696 PolarHBondContact O-N 3.33Å; L693-L696 PolarHBondContact O-N 3Å; P694-L696 PolarHBondContact O-N 2.96Å; L696-Q698 VanDerWaalsContact C-N 3.28Å; L696-Q698 PolarHBondContact O-N 3.31Å; L696-A699 PolarHBondContact O-N 2.87Å; L696-L705 HydrophobicContact CB-CD2 4.29Å; L696-L705 HydrophobicContact CD2-CD2 4.37Å |
| 697 | Y | 87.9 | Confident | 88.6 | Confident | 103 Ų | 103 | 52.8 Ų | 52.8 | 40% | 0.404 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.6 | -30 | 173.4 | -80.7 | -68.5 | 0 | 0 | 0 | 113.2 | T327 L330 L693 P694 | T327-Y697 WeakPolarHBondContact CG2-OH 3.42Å; L330-Y697 HydrophobicContact CD2-CD1 4.41Å; L330-Y697 HydrophobicContact CD2-CE1 3.87Å; L330-Y697 HydrophobicContact CD2-CE2 4.21Å; L693-Y697 HydrophobicContact CD1-CD2 4.25Å; L693-Y697 HydrophobicContact CD1-CE2 3.7Å; L693-Y697 HydrophobicContact CD2-CE2 4.22Å; L693-Y697 HydrophobicContact CG-CD2 4.09Å; L693-Y697 HydrophobicContact CG-CE2 3.68Å; L693-Y697 WeakPolarHBondContact O-CD2 3.44Å; L693-Y697 PolarHBondContact O-N 3.08Å; L693-Y697 VanDerWaalsContact O-N 3.13Å; P694-Y697 PolarHBondContact O-N 3.37Å |
| 698 | Q | 88 | Confident | 87.9 | Confident | 156 Ų | 156 | 53.9 Ų | 53.9 | 73% | 0.729 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -84 | -29 | 178.3 | -67.8 | 177.8 | 24.6 | 0 | 0 | 112.8 | P694 N695 L696 G700 | P694-Q698 WeakPolarHBondContact O-CG 3.33Å; P694-Q698 PolarHBondContact O-N 2.83Å; N695-Q698 PolarHBondContact O-N 3.29Å; L696-Q698 VanDerWaalsContact C-N 3.28Å; L696-Q698 PolarHBondContact O-N 3.31Å; Q698-G700 VanDerWaalsContact C-N 3.33Å; Q698-G700 PolarHBondContact O-N 3.36Å |
| 699 | A | 81.9 | Confident | 87.2 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.1 | -24.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | I460 N695 L696 | I460-A699 HydrophobicContact CD1-CB 4.14Å; N695-A699 WeakPolarHBondContact O-CB 3.42Å; N695-A699 PolarHBondContact O-N 3.3Å; L696-A699 PolarHBondContact O-N 2.87Å |
| 700 | G | 73.8 | Confident | 86.7 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -172.1 | 171.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q698 L702 | Q698-G700 VanDerWaalsContact C-N 3.33Å; Q698-G700 PolarHBondContact O-N 3.36Å; G700-L702 PolarHBondContact O-N 2.89Å |
| 701 | D | 83.8 | Confident | 86.2 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | trans | -62.7 | 130 | 172 | 177.3 | 28.5 | 0 | 0 | 0 | 110.2 | N703 S704 L705 | D701-N703 PolarHBondContact O-N 2.99Å; D701-N703 VanDerWaalsContact O-N 3.08Å; D701-N703 PolarHBondContact OD1-N 3.4Å; D701-N703 PolarHBondContact OD1-ND2 3.25Å; D701-N703 WeakPolarHBondContact OD2-CB 3.39Å; D701-N703 PolarHBondContact OD2-ND2 3.22Å; D701-S704 WeakPolarHBondContact O-CB 3.38Å; D701-S704 PolarHBondContact O-N 3.26Å; D701-L705 PolarHBondContact O-N 3.47Å | ||
| 702 | L | 84.9 | Confident | 85.5 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.7 | -34.7 | -179.9 | -179.6 | 65 | 0 | 0 | 0 | 111.7 | K326 L330 G700 M706 | K326-L702 HydrophobicContact CB-CD1 4.33Å; K326-L702 HydrophobicContact CB-CD2 3.98Å; K326-L702 HydrophobicContact CB-CG 3.98Å; L330-L702 HydrophobicContact CB-CD1 4.46Å; L330-L702 HydrophobicContact CD2-CD1 3.78Å; G700-L702 PolarHBondContact O-N 2.89Å; L702-M706 HydrophobicContact CD1-CG 3.87Å; L702-M706 WeakPolarHBondContact O-CB 3.47Å; L702-M706 WeakPolarHBondContact O-CG 3.41Å; L702-M706 PolarHBondContact O-N 2.91Å; L702-M706 VanDerWaalsContact O-N 3.1Å |
| 703 | N | 83.3 | Confident | 84.7 | Confident | 76 Ų | 76 | 54 Ų | 54 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 178.9 | -60.5 | -62.5 | 0 | 0 | 0 | 113.2 | K326 D701 | K326-N703 PolarHBondContact NZ-OD1 3.34Å; D701-N703 PolarHBondContact O-N 2.99Å; D701-N703 VanDerWaalsContact O-N 3.08Å; D701-N703 PolarHBondContact OD1-N 3.4Å; D701-N703 PolarHBondContact OD1-ND2 3.25Å; D701-N703 WeakPolarHBondContact OD2-CB 3.39Å; D701-N703 PolarHBondContact OD2-ND2 3.22Å |
| 704 | S | 85.7 | Confident | 84.3 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.5 | -48.4 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | R452 D701 M706 S707 | R452-S704 VanDerWaalsContact CD-O 3.24Å; R452-S704 WeakPolarHBondContact CD-O 3.24Å; R452-S704 PolarHBondContact NH1-OG 3.48Å; D701-S704 WeakPolarHBondContact O-CB 3.38Å; D701-S704 PolarHBondContact O-N 3.26Å; S704-M706 VanDerWaalsContact C-N 3.32Å; S704-M706 PolarHBondContact O-N 3.29Å; S704-S707 WeakPolarHBondContact O-CB 3.32Å; S704-S707 PolarHBondContact O-N 2.88Å; S704-S707 PolarHBondContact O-OG 3.16Å |
| 705 | L | 87.1 | Confident | 83.8 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | -176.9 | -162.8 | 69.8 | 0 | 0 | 0 | 111.9 | L330 L453 E456 L696 D701 S707 | L330-L705 HydrophobicContact CD1-CD2 4Å; L453-L705 HydrophobicContact CB-CD1 4.29Å; L453-L705 HydrophobicContact CB-CG 4.02Å; L453-L705 HydrophobicContact CD1-CD1 4.14Å; L453-L705 HydrophobicContact CD1-CD2 3.64Å; L453-L705 HydrophobicContact CD1-CG 3.73Å; L453-L705 HydrophobicContact CG-CG 4.47Å; L453-L705 PolarHBondContact N-O 3.04Å; E456-L705 HydrophobicContact CB-CD1 3.86Å; E456-L705 HydrophobicContact CG-CD1 3.88Å; L696-L705 HydrophobicContact CB-CD2 4.29Å; L696-L705 HydrophobicContact CD2-CD2 4.37Å; D701-L705 PolarHBondContact O-N 3.47Å; L705-S707 VanDerWaalsContact C-N 3.29Å; L705-S707 PolarHBondContact O-N 3.24Å |
| 706 | M | 86.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 30.5 | -178.8 | -59 | -59.4 | -63.4 | 0 | 0 | 113.3 | K326 A329 L330 F450 L453 L702 S704 | K326-M706 HydrophobicContact CB-CB 4.28Å; K326-M706 HydrophobicContact CB-CG 4.17Å; K326-M706 HydrophobicContact CD-CB 4.16Å; K326-M706 HydrophobicContact CG-CB 4.18Å; A329-M706 HydrophobicContact CB-CE 3.49Å; A329-M706 VanDerWaalsContact CB-CE 3.49Å; L330-M706 HydrophobicContact CB-CE 4.33Å; L330-M706 HydrophobicContact CB-SD 3.79Å; L330-M706 HydrophobicContact CD1-SD 4.02Å; L330-M706 HydrophobicContact CG-SD 4.48Å; F450-M706 HydrophobicContact CD1-CE 4.05Å; F450-M706 HydrophobicContact CD2-CE 4.04Å; F450-M706 HydrophobicContact CE1-CE 3.8Å; F450-M706 HydrophobicContact CE2-CE 3.79Å; F450-M706 HydrophobicContact CG-CE 4.17Å; F450-M706 HydrophobicContact CZ-CE 3.67Å; L453-M706 HydrophobicContact CD2-SD 3.95Å; L702-M706 HydrophobicContact CD1-CG 3.87Å; L702-M706 WeakPolarHBondContact O-CB 3.47Å; L702-M706 WeakPolarHBondContact O-CG 3.41Å; L702-M706 PolarHBondContact O-N 2.91Å; L702-M706 VanDerWaalsContact O-N 3.1Å; S704-M706 VanDerWaalsContact C-N 3.32Å; S704-M706 PolarHBondContact O-N 3.29Å |
| 707 | S | 83.8 | Confident | 82.8 | Confident | 40 Ų | 40 | 64 Ų | 64 | 28% | 0.28 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 127.2 | 172.8 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | R452 S704 L705 | R452-S707 WeakPolarHBondContact CD-OG 2.92Å; S704-S707 WeakPolarHBondContact O-CB 3.32Å; S704-S707 PolarHBondContact O-N 2.88Å; S704-S707 PolarHBondContact O-OG 3.16Å; L705-S707 VanDerWaalsContact C-N 3.29Å; L705-S707 PolarHBondContact O-N 3.24Å |
| 708 | E | 80.8 | Confident | 82.6 | Confident | 41 Ų | 41 | 64.9 Ų | 64.9 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 150.4 | 176.6 | -65.8 | -176.2 | 147.7 | 0 | 0 | 111.2 | Y318 N449 F450 R716 | Y318-E708 WeakPolarHBondContact CE1-OE1 3.32Å; Y318-E708 VanDerWaalsContact CE2-OE1 3.3Å; Y318-E708 WeakPolarHBondContact CE2-OE1 3.43Å; Y318-E708 WeakPolarHBondContact OH-CG 3.04Å; Y318-E708 PolarHBondContact OH-OE1 3.25Å; N449-E708 WeakPolarHBondContact O-CA 3.47Å; F450-E708 HydrophobicContact CE1-CG 4.11Å; E708-R716 VanDerWaalsContact CD-NH1 3.26Å; E708-R716 IonicContact OE1-CZ 3.18Å; E708-R716 IonicContact OE1-NH1 3.86Å; E708-R716 PolarHBondContact OE1-NH1 3.13Å; E708-R716 IonicContact OE2-CZ 2.72Å; E708-R716 IonicContact OE2-NH1 2.85Å; E708-R716 PolarHBondContact OE2-NH1 3.43Å; E708-R716 IonicContact OE2-NH2 3.32Å; E708-R716 PolarHBondContact OE2-NH2 2.81Å |
| 709 | S | 81.2 | Confident | 82.3 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 147 | 167.4 | 75.9 | 0 | 0 | 0 | 0 | 110.8 | N449 G711 V712 Q713 | N449-S709 PolarHBondContact O-N 2.8Å; S709-G711 PolarHBondContact O-N 3.19Å; S709-V712 PolarHBondContact O-N 3.49Å; S709-V712 VanDerWaalsContact O-N 3.14Å; S709-V712 VanDerWaalsContact OG-CG2 3.23Å; S709-V712 WeakPolarHBondContact OG-CG2 3.31Å; S709-V712 PolarHBondContact OG-N 3.05Å; S709-Q713 PolarHBondContact O-N 2.91Å |
| 710 | L | 81.1 | Confident | 82.5 | Confident | 130 Ų | 130 | 58 Ų | 58 | 68% | 0.681 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.7 | -34.9 | 177.2 | -71.9 | 171.3 | 0 | 0 | 0 | 112.2 | Q713 Q714 | L710-Q713 PolarHBondContact O-N 3Å; L710-Q714 WeakPolarHBondContact O-CB 3.45Å; L710-Q714 VanDerWaalsContact O-CG 3.28Å; L710-Q714 WeakPolarHBondContact O-CG 3.28Å; L710-Q714 PolarHBondContact O-N 3.24Å |
| 711 | G | 79.3 | Confident | 82.9 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S709 K715 | S709-G711 PolarHBondContact O-N 3.19Å; G711-K715 VanDerWaalsContact O-CB 3.31Å; G711-K715 WeakPolarHBondContact O-CB 3.06Å; G711-K715 PolarHBondContact O-N 3.39Å |
| 712 | V | 79.6 | Confident | 82.9 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | N449 S709 K715 R716 | N449-V712 WeakPolarHBondContact OD1-CG2 3.41Å; S709-V712 PolarHBondContact O-N 3.49Å; S709-V712 VanDerWaalsContact O-N 3.14Å; S709-V712 VanDerWaalsContact OG-CG2 3.23Å; S709-V712 WeakPolarHBondContact OG-CG2 3.31Å; S709-V712 PolarHBondContact OG-N 3.05Å; V712-K715 PolarHBondContact O-N 3.34Å; V712-R716 PolarHBondContact O-N 3.39Å |
| 713 | Q | 79.5 | Confident | 83 | Confident | 81 Ų | 81 | 60.7 Ų | 60.7 | 38% | 0.379 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 175.4 | -177.9 | 173.2 | 22.9 | 0 | 0 | 111.7 | S709 L710 K715 R716 D717 | S709-Q713 PolarHBondContact O-N 2.91Å; L710-Q713 PolarHBondContact O-N 3Å; Q713-K715 PolarHBondContact O-N 3.4Å; Q713-R716 PolarHBondContact O-N 2.75Å; Q713-D717 VanDerWaalsContact O-CG 3.27Å; Q713-D717 PolarHBondContact O-N 3.17Å |
| 714 | Q | 82.6 | Confident | 83 | Confident | 131 Ų | 131 | 60.6 Ų | 60.6 | 61% | 0.612 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.4 | -44.9 | 177.5 | -76.4 | 175.9 | -9 | 0 | 0 | 111.8 | L710 R716 D717 E718 | L710-Q714 WeakPolarHBondContact O-CB 3.45Å; L710-Q714 VanDerWaalsContact O-CG 3.28Å; L710-Q714 WeakPolarHBondContact O-CG 3.28Å; L710-Q714 PolarHBondContact O-N 3.24Å; Q714-R716 VanDerWaalsContact C-N 3.34Å; Q714-R716 PolarHBondContact O-N 3.02Å; Q714-D717 PolarHBondContact O-N 2.8Å; Q714-E718 VanDerWaalsContact O-CB 3.28Å; Q714-E718 WeakPolarHBondContact O-CB 3.17Å; Q714-E718 PolarHBondContact O-N 2.96Å |
| 715 | K | 82.1 | Confident | 82.8 | Confident | 124 Ų | 124 | 59.1 Ų | 59.1 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 178.3 | -174.6 | -179.7 | 177.3 | -173 | 0 | 111.6 | G711 V712 Q713 M719 | G711-K715 VanDerWaalsContact O-CB 3.31Å; G711-K715 WeakPolarHBondContact O-CB 3.06Å; G711-K715 PolarHBondContact O-N 3.39Å; V712-K715 PolarHBondContact O-N 3.34Å; Q713-K715 PolarHBondContact O-N 3.4Å; K715-M719 WeakPolarHBondContact O-CB 3.31Å; K715-M719 PolarHBondContact O-N 3.24Å |
| 716 | R | 83.8 | Confident | 82.6 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -52.1 | 174.4 | 173.1 | 177.4 | 69.3 | -139.9 | -11.9 | 111.2 | Y315 E708 V712 Q713 Q714 E718 M719 V720 | Y315-R716 HydrophobicContact CD1-CB 4.18Å; Y315-R716 VanDerWaalsContact CD1-CD 3.49Å; Y315-R716 HydrophobicContact CD1-CG 3.66Å; Y315-R716 HydrophobicContact CD2-CB 4.27Å; Y315-R716 HydrophobicContact CD2-CG 3.85Å; Y315-R716 HydrophobicContact CE1-CB 4.14Å; Y315-R716 HydrophobicContact CE1-CG 4.14Å; Y315-R716 HydrophobicContact CE2-CB 4.23Å; Y315-R716 HydrophobicContact CE2-CG 4.31Å; Y315-R716 HydrophobicContact CG-CB 4.26Å; Y315-R716 HydrophobicContact CG-CG 3.5Å; E708-R716 VanDerWaalsContact CD-NH1 3.26Å; E708-R716 IonicContact OE1-CZ 3.18Å; E708-R716 IonicContact OE1-NH1 3.86Å; E708-R716 PolarHBondContact OE1-NH1 3.13Å; E708-R716 IonicContact OE2-CZ 2.72Å; E708-R716 IonicContact OE2-NH1 2.85Å; E708-R716 PolarHBondContact OE2-NH1 3.43Å; E708-R716 IonicContact OE2-NH2 3.32Å; E708-R716 PolarHBondContact OE2-NH2 2.81Å; V712-R716 PolarHBondContact O-N 3.39Å; Q713-R716 PolarHBondContact O-N 2.75Å; Q714-R716 VanDerWaalsContact C-N 3.34Å; Q714-R716 PolarHBondContact O-N 3.02Å; R716-E718 VanDerWaalsContact C-N 3.31Å; R716-E718 PolarHBondContact O-N 3.21Å; R716-M719 PolarHBondContact O-N 3.26Å; R716-V720 WeakPolarHBondContact O-CG2 3.31Å; R716-V720 PolarHBondContact O-N 3.47Å |
| 717 | D | 82.9 | Confident | 82.6 | Confident | 78 Ų | 78 | 64 Ų | 64 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | -174.4 | -66.3 | -10.8 | 0 | 0 | 0 | 111.4 | Q713 Q714 R721 | Q713-D717 VanDerWaalsContact O-CG 3.27Å; Q713-D717 PolarHBondContact O-N 3.17Å; Q714-D717 PolarHBondContact O-N 2.8Å; D717-R721 WeakPolarHBondContact O-CB 3.01Å; D717-R721 PolarHBondContact O-N 2.87Å; D717-R721 VanDerWaalsContact O-N 3.07Å |
| 718 | E | 82.4 | Confident | 82.6 | Confident | 122 Ų | 122 | 67.3 Ų | 67.3 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.3 | -46.6 | 172.8 | -177 | 174.7 | -167.4 | 0 | 0 | 111.5 | Q714 R716 V720 R721 V722 | Q714-E718 VanDerWaalsContact O-CB 3.28Å; Q714-E718 WeakPolarHBondContact O-CB 3.17Å; Q714-E718 PolarHBondContact O-N 2.96Å; R716-E718 VanDerWaalsContact C-N 3.31Å; R716-E718 PolarHBondContact O-N 3.21Å; E718-V720 PolarHBondContact O-N 2.72Å; E718-R721 WeakPolarHBondContact O-CB 3.34Å; E718-R721 PolarHBondContact O-N 2.88Å; E718-V722 HydrophobicContact CG-CG2 4.31Å; E718-V722 WeakPolarHBondContact O-CB 3.41Å; E718-V722 VanDerWaalsContact O-CG2 3.31Å; E718-V722 WeakPolarHBondContact O-CG2 3.39Å; E718-V722 PolarHBondContact O-N 3.45Å |
| 719 | M | 82.7 | Confident | 82.6 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | -179.3 | -172.8 | 166.8 | -175.5 | 0 | 0 | 112.5 | M308 E311 V312 Y315 K715 R716 Y723 | M308-M719 HydrophobicContact CB-CE 3.68Å; M308-M719 HydrophobicContact CE-CB 4.45Å; M308-M719 HydrophobicContact CE-CE 4.2Å; M308-M719 HydrophobicContact CE-CG 3.58Å; M308-M719 HydrophobicContact CG-CE 3.99Å; M308-M719 WeakPolarHBondContact O-CE 3.31Å; E311-M719 HydrophobicContact CB-CE 3.3Å; E311-M719 HydrophobicContact CB-SD 3.98Å; E311-M719 HydrophobicContact CG-CE 4.16Å; E311-M719 WeakPolarHBondContact OE2-CE 3.06Å; V312-M719 HydrophobicContact CG2-CE 4.03Å; V312-M719 HydrophobicContact CG2-CG 3.81Å; Y315-M719 HydrophobicContact CD2-SD 4.21Å; Y315-M719 HydrophobicContact CE2-SD 3.76Å; K715-M719 WeakPolarHBondContact O-CB 3.31Å; K715-M719 PolarHBondContact O-N 3.24Å; R716-M719 PolarHBondContact O-N 3.26Å; M719-Y723 WeakPolarHBondContact O-CB 3.31Å; M719-Y723 PolarHBondContact O-N 2.99Å |
| 720 | V | 85.2 | Confident | 82.8 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | R716 E718 V722 Y723 D724 | R716-V720 WeakPolarHBondContact O-CG2 3.31Å; R716-V720 PolarHBondContact O-N 3.47Å; E718-V720 PolarHBondContact O-N 2.72Å; V720-V722 PolarHBondContact O-N 2.61Å; V720-Y723 PolarHBondContact O-N 2.79Å; V720-D724 PolarHBondContact O-N 2.69Å |
| 721 | R | 83.4 | Confident | 83 | Confident | 173 Ų | 173 | 63.2 Ų | 63.2 | 65% | 0.653 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.1 | -46.8 | 178.4 | -173.9 | -169.1 | -56.8 | 171.7 | 3.6 | 112.2 | D717 E718 D724 A725 | D717-R721 WeakPolarHBondContact O-CB 3.01Å; D717-R721 PolarHBondContact O-N 2.87Å; D717-R721 VanDerWaalsContact O-N 3.07Å; E718-R721 WeakPolarHBondContact O-CB 3.34Å; E718-R721 PolarHBondContact O-N 2.88Å; R721-D724 PolarHBondContact O-N 3.36Å; R721-A725 WeakPolarHBondContact O-CB 3.43Å; R721-A725 PolarHBondContact O-N 3.39Å |
| 722 | V | 82.8 | Confident | 83 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 178.8 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | L24 M308 E718 V720 A725 M726 | L24-V722 HydrophobicContact CD2-CG1 4.15Å; L24-V722 WeakPolarHBondContact CD2-O 3.26Å; M308-V722 HydrophobicContact CE-CB 4.18Å; M308-V722 HydrophobicContact CE-CG1 3.92Å; M308-V722 HydrophobicContact SD-CG1 4.3Å; E718-V722 HydrophobicContact CG-CG2 4.31Å; E718-V722 WeakPolarHBondContact O-CB 3.41Å; E718-V722 VanDerWaalsContact O-CG2 3.31Å; E718-V722 WeakPolarHBondContact O-CG2 3.39Å; E718-V722 PolarHBondContact O-N 3.45Å; V720-V722 PolarHBondContact O-N 2.61Å; V722-A725 PolarHBondContact O-N 2.93Å; V722-M726 HydrophobicContact CG1-CE 3.67Å; V722-M726 HydrophobicContact CG1-CG 4.44Å; V722-M726 HydrophobicContact CG1-SD 4.27Å; V722-M726 WeakPolarHBondContact O-CB 3.48Å; V722-M726 VanDerWaalsContact O-CG 3.32Å; V722-M726 WeakPolarHBondContact O-CG 3.43Å; V722-M726 PolarHBondContact O-N 2.78Å |
| 723 | Y | 86.7 | Confident | 82.9 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 177.1 | 179.5 | -85.5 | 0 | 0 | 0 | 112.2 | M305 M308 E309 V312 M719 V720 A725 M726 K727 | M305-Y723 HydrophobicContact CG-CD2 3.84Å; M305-Y723 HydrophobicContact CG-CE2 3.48Å; M305-Y723 VanDerWaalsContact CG-CE2 3.48Å; M305-Y723 HydrophobicContact SD-CE2 4.38Å; M308-Y723 HydrophobicContact CB-CD2 4.49Å; E309-Y723 HydrophobicContact CB-CE2 4.18Å; E309-Y723 HydrophobicContact CG-CE2 4.31Å; E309-Y723 PolarHBondContact OE1-OH 3.33Å; V312-Y723 HydrophobicContact CB-CD2 4.31Å; V312-Y723 HydrophobicContact CB-CG 4.36Å; V312-Y723 HydrophobicContact CG1-CD1 4Å; V312-Y723 HydrophobicContact CG1-CD2 4.33Å; V312-Y723 HydrophobicContact CG1-CE1 4.42Å; V312-Y723 HydrophobicContact CG1-CG 3.96Å; V312-Y723 HydrophobicContact CG2-CD2 4.02Å; V312-Y723 HydrophobicContact CG2-CG 4Å; M719-Y723 WeakPolarHBondContact O-CB 3.31Å; M719-Y723 PolarHBondContact O-N 2.99Å; V720-Y723 PolarHBondContact O-N 2.79Å; Y723-A725 PolarHBondContact O-N 3.14Å; Y723-M726 PolarHBondContact O-N 2.89Å; Y723-K727 PolarHBondContact O-N 3.49Å |
| 724 | D | 83.9 | Confident | 83 | Confident | 75 Ų | 75 | 59 Ų | 59 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | -179.8 | -72.3 | -22 | 0 | 0 | 0 | 111.8 | K316 V720 R721 K727 E728 | K316-D724 IonicContact NZ-OD1 3.47Å; V720-D724 PolarHBondContact O-N 2.69Å; R721-D724 PolarHBondContact O-N 3.36Å; D724-K727 WeakPolarHBondContact O-CB 3.37Å; D724-K727 PolarHBondContact O-N 2.89Å; D724-E728 PolarHBondContact O-N 2.86Å |
| 725 | A | 80.7 | Confident | 82.7 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71 | -32.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | L24 R721 V722 Y723 K727 E728 A729 | L24-A725 HydrophobicContact CD1-CB 4.49Å; L24-A725 HydrophobicContact CD2-CB 3.31Å; L24-A725 HydrophobicContact CG-CB 3.69Å; R721-A725 WeakPolarHBondContact O-CB 3.43Å; R721-A725 PolarHBondContact O-N 3.39Å; V722-A725 PolarHBondContact O-N 2.93Å; Y723-A725 PolarHBondContact O-N 3.14Å; A725-K727 VanDerWaalsContact C-N 3.32Å; A725-K727 PolarHBondContact O-N 3.18Å; A725-E728 PolarHBondContact O-N 3.32Å; A725-A729 WeakPolarHBondContact O-CB 3.13Å; A725-A729 PolarHBondContact O-N 3.15Å |
| 726 | M | 83.9 | Confident | 82 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 169.7 | -76.1 | -178.6 | 178.9 | 0 | 0 | 111.5 | L24 L301 Q304 M305 M308 V722 Y723 A729 L730 | L24-M726 HydrophobicContact CD1-CG 4.41Å; L24-M726 HydrophobicContact CD2-CG 4.12Å; L301-M726 HydrophobicContact CD2-CG 4.38Å; Q304-M726 HydrophobicContact CB-CE 3.88Å; Q304-M726 HydrophobicContact CB-SD 4.09Å; M305-M726 HydrophobicContact CB-SD 4.42Å; M308-M726 HydrophobicContact SD-CE 4.27Å; M308-M726 HydrophobicContact SD-SD 4.28Å; V722-M726 HydrophobicContact CG1-CE 3.67Å; V722-M726 HydrophobicContact CG1-CG 4.44Å; V722-M726 HydrophobicContact CG1-SD 4.27Å; V722-M726 WeakPolarHBondContact O-CB 3.48Å; V722-M726 VanDerWaalsContact O-CG 3.32Å; V722-M726 WeakPolarHBondContact O-CG 3.43Å; V722-M726 PolarHBondContact O-N 2.78Å; Y723-M726 PolarHBondContact O-N 2.89Å; M726-A729 PolarHBondContact O-N 3.23Å; M726-L730 WeakPolarHBondContact O-CG 3.27Å; M726-L730 PolarHBondContact O-N 2.86Å |
| 727 | K | 86.2 | Confident | 81.3 | Confident | 107 Ų | 107 | 53.2 Ų | 53.2 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 175.9 | -171.2 | 176.3 | -178.7 | 176.3 | 0 | 111.6 | Y723 D724 A725 L730 N731 | Y723-K727 PolarHBondContact O-N 3.49Å; D724-K727 WeakPolarHBondContact O-CB 3.37Å; D724-K727 PolarHBondContact O-N 2.89Å; A725-K727 VanDerWaalsContact C-N 3.32Å; A725-K727 PolarHBondContact O-N 3.18Å; K727-L730 PolarHBondContact O-N 3.33Å; K727-N731 PolarHBondContact O-N 2.7Å; K727-N731 VanDerWaalsContact O-N 3.09Å; K727-N731 PolarHBondContact O-ND2 3.16Å |
| 728 | E | 83.4 | Confident | 80.7 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 172.8 | -171.7 | 177.7 | -174.8 | 0 | 0 | 111.7 | D724 A725 L730 N731 I732 | D724-E728 PolarHBondContact O-N 2.86Å; A725-E728 PolarHBondContact O-N 3.32Å; E728-L730 VanDerWaalsContact C-N 3.32Å; E728-L730 PolarHBondContact O-N 3.42Å; E728-N731 WeakPolarHBondContact O-CB 3.46Å; E728-N731 PolarHBondContact O-N 2.9Å; E728-N731 VanDerWaalsContact O-N 3.14Å; E728-I732 HydrophobicContact CG-CD1 4.22Å; E728-I732 WeakPolarHBondContact O-CG1 3.42Å; E728-I732 PolarHBondContact O-N 3.15Å |
| 729 | A | 81 | Confident | 79.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A20 F21 L24 L301 A725 M726 I732 I733 | A20-A729 HydrophobicContact CB-CB 4.37Å; F21-A729 HydrophobicContact CD2-CB 4.45Å; F21-A729 HydrophobicContact CE2-CB 4.04Å; L24-A729 HydrophobicContact CD1-CB 4.46Å; L301-A729 HydrophobicContact CD1-CB 3.81Å; A725-A729 WeakPolarHBondContact O-CB 3.13Å; A725-A729 PolarHBondContact O-N 3.15Å; M726-A729 PolarHBondContact O-N 3.23Å; A729-I732 PolarHBondContact O-N 2.9Å; A729-I733 WeakPolarHBondContact O-CG1 3.34Å; A729-I733 PolarHBondContact O-N 3.13Å |
| 730 | L | 85.9 | Confident | 78.9 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.7 | -76.7 | 172 | 0 | 0 | 0 | 112.8 | R298 L301 Q302 M305 M726 K727 E728 I733 S734 | R298-L730 HydrophobicContact CG-CD2 4.03Å; L301-L730 HydrophobicContact CB-CD2 3.78Å; L301-L730 HydrophobicContact CB-CG 4.09Å; L301-L730 HydrophobicContact CD1-CD2 4.21Å; L301-L730 HydrophobicContact CD1-CG 4.31Å; Q302-L730 HydrophobicContact CG-CD1 3.99Å; Q302-L730 HydrophobicContact CG-CD2 3.68Å; M305-L730 HydrophobicContact CE-CD1 3.78Å; M305-L730 HydrophobicContact SD-CD1 3.69Å; M726-L730 WeakPolarHBondContact O-CG 3.27Å; M726-L730 PolarHBondContact O-N 2.86Å; K727-L730 PolarHBondContact O-N 3.33Å; E728-L730 VanDerWaalsContact C-N 3.32Å; E728-L730 PolarHBondContact O-N 3.42Å; L730-I733 PolarHBondContact O-N 3.11Å; L730-S734 PolarHBondContact O-N 3.35Å |
| 731 | N | 85.8 | Confident | 77.7 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 174.2 | -70.8 | -23.4 | 0 | 0 | 0 | 110.7 | K727 E728 I733 S734 E735 | K727-N731 PolarHBondContact O-N 2.7Å; K727-N731 VanDerWaalsContact O-N 3.09Å; K727-N731 PolarHBondContact O-ND2 3.16Å; E728-N731 WeakPolarHBondContact O-CB 3.46Å; E728-N731 PolarHBondContact O-N 2.9Å; E728-N731 VanDerWaalsContact O-N 3.14Å; N731-I733 PolarHBondContact O-N 3.49Å; N731-S734 WeakPolarHBondContact O-CB 3.4Å; N731-S734 PolarHBondContact O-N 3.36Å; N731-S734 VanDerWaalsContact O-N 3.14Å; N731-E735 PolarHBondContact O-N 2.98Å |
| 732 | I | 78.3 | Confident | 76.5 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -48 | 176.6 | -64.5 | 164.8 | 0 | 0 | 0 | 110.5 | R16 L17 A20 E728 A729 S734 E735 V736 | R16-I732 HydrophobicContact CB-CD1 4.36Å; R16-I732 HydrophobicContact CB-CG2 4.28Å; L17-I732 HydrophobicContact CB-CG2 4.27Å; L17-I732 HydrophobicContact CD1-CB 4.46Å; L17-I732 HydrophobicContact CD1-CG2 3.93Å; A20-I732 HydrophobicContact CB-CD1 3.63Å; E728-I732 HydrophobicContact CG-CD1 4.22Å; E728-I732 WeakPolarHBondContact O-CG1 3.42Å; E728-I732 PolarHBondContact O-N 3.15Å; A729-I732 PolarHBondContact O-N 2.9Å; I732-S734 PolarHBondContact O-N 3.48Å; I732-E735 WeakPolarHBondContact O-CB 3.39Å; I732-E735 PolarHBondContact O-N 3.14Å; I732-E735 VanDerWaalsContact O-N 3.07Å; I732-V736 HydrophobicContact CG2-CG2 4.48Å; I732-V736 WeakPolarHBondContact O-CG2 3.48Å; I732-V736 PolarHBondContact O-N 2.85Å |
| 733 | I | 77.9 | Confident | 75.4 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -37.6 | 177.7 | -68.1 | 170.4 | 0 | 0 | 0 | 111.6 | L17 L294 L297 R298 L301 A729 L730 N731 V736 S737 | L17-I733 HydrophobicContact CD1-CD1 4.29Å; L17-I733 HydrophobicContact CD1-CG1 3.57Å; L294-I733 HydrophobicContact CB-CG2 4.48Å; L294-I733 HydrophobicContact CD2-CG1 4.18Å; L294-I733 HydrophobicContact CD2-CG2 4.22Å; L297-I733 HydrophobicContact CD2-CD1 4.03Å; L297-I733 HydrophobicContact CG-CD1 4.09Å; R298-I733 HydrophobicContact CB-CG2 4.07Å; R298-I733 HydrophobicContact CG-CG2 4.48Å; L301-I733 HydrophobicContact CD1-CD1 3.66Å; A729-I733 WeakPolarHBondContact O-CG1 3.34Å; A729-I733 PolarHBondContact O-N 3.13Å; L730-I733 PolarHBondContact O-N 3.11Å; N731-I733 PolarHBondContact O-N 3.49Å; I733-V736 PolarHBondContact O-N 2.82Å; I733-S737 WeakPolarHBondContact O-CB 3.39Å; I733-S737 PolarHBondContact O-N 3.46Å; I733-S737 PolarHBondContact O-OG 2.87Å |
| 734 | S | 80.7 | Confident | 73.9 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.6 | -165.4 | 0 | 0 | 0 | 0 | 111.7 | L730 N731 I732 V736 S737 M738 | L730-S734 PolarHBondContact O-N 3.35Å; N731-S734 WeakPolarHBondContact O-CB 3.4Å; N731-S734 PolarHBondContact O-N 3.36Å; N731-S734 VanDerWaalsContact O-N 3.14Å; I732-S734 PolarHBondContact O-N 3.48Å; S734-V736 PolarHBondContact O-N 3.15Å; S734-S737 PolarHBondContact O-N 3.11Å; S734-M738 WeakPolarHBondContact O-CG 3.37Å; S734-M738 PolarHBondContact O-N 3.35Å; S734-M738 VanDerWaalsContact O-N 3.11Å |
| 735 | E | 76.4 | Confident | 72.8 | Confident | 94 Ų | 94 | 57.5 Ų | 57.5 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 174.9 | -69.1 | -179.2 | -176.2 | 0 | 0 | 112.1 | R16 N731 I732 S737 M738 S739 | R16-E735 IonicContact NH1-OE2 2.89Å; R16-E735 PolarHBondContact NH1-OE2 3Å; N731-E735 PolarHBondContact O-N 2.98Å; I732-E735 WeakPolarHBondContact O-CB 3.39Å; I732-E735 PolarHBondContact O-N 3.14Å; I732-E735 VanDerWaalsContact O-N 3.07Å; E735-S737 VanDerWaalsContact C-N 3.34Å; E735-S737 PolarHBondContact O-N 2.91Å; E735-M738 PolarHBondContact O-N 3.04Å; E735-S739 WeakPolarHBondContact O-CB 3.25Å; E735-S739 PolarHBondContact O-N 3.19Å; E735-S739 PolarHBondContact O-OG 3.43Å |
| 736 | V | 67.8 | Low | 71.7 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.1 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | L13 L294 I732 I733 S734 M738 S739 T740 | L13-V736 HydrophobicContact CB-CG2 3.87Å; L13-V736 HydrophobicContact CD1-CG1 4.49Å; L13-V736 HydrophobicContact CD1-CG2 4.22Å; L13-V736 HydrophobicContact CD2-CG2 4.07Å; L13-V736 HydrophobicContact CG-CG2 4.26Å; L294-V736 HydrophobicContact CD1-CB 3.91Å; L294-V736 HydrophobicContact CD1-CG1 3.47Å; L294-V736 VanDerWaalsContact CD1-CG1 3.47Å; I732-V736 HydrophobicContact CG2-CG2 4.48Å; I732-V736 WeakPolarHBondContact O-CG2 3.48Å; I732-V736 PolarHBondContact O-N 2.85Å; I733-V736 PolarHBondContact O-N 2.82Å; S734-V736 PolarHBondContact O-N 3.15Å; V736-M738 PolarHBondContact O-N 3.49Å; V736-S739 PolarHBondContact O-N 3.24Å; V736-S739 PolarHBondContact O-OG 2.96Å; V736-T740 HydrophobicContact CG1-CG2 4.06Å; V736-T740 WeakPolarHBondContact O-CG2 3.47Å; V736-T740 PolarHBondContact O-N 2.97Å; V736-T740 PolarHBondContact O-OG1 3.27Å |
| 737 | S | 69.6 | Low | 70.1 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.9 | -29.9 | 178.9 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | I733 S734 E735 | I733-S737 WeakPolarHBondContact O-CB 3.39Å; I733-S737 PolarHBondContact O-N 3.46Å; I733-S737 PolarHBondContact O-OG 2.87Å; S734-S737 PolarHBondContact O-N 3.11Å; E735-S737 VanDerWaalsContact C-N 3.34Å; E735-S737 PolarHBondContact O-N 2.91Å |
| 738 | M | 70.2 | Confident | 68.7 | Low | 161 Ų | 161 | 64.3 Ų | 64.3 | 79% | 0.793 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -85.4 | -30.3 | 179.1 | -69.2 | -177.1 | 73.7 | 0 | 0 | 113.6 | S734 E735 V736 | S734-M738 WeakPolarHBondContact O-CG 3.37Å; S734-M738 PolarHBondContact O-N 3.35Å; S734-M738 VanDerWaalsContact O-N 3.11Å; E735-M738 PolarHBondContact O-N 3.04Å; V736-M738 PolarHBondContact O-N 3.49Å |
| 739 | S | 65.7 | Low | 67.6 | Low | 51 Ų | 51 | 62 Ų | 62 | 36% | 0.357 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -90.3 | -13.4 | -174 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | L13 E735 V736 | L13-S739 VanDerWaalsContact CD1-OG 3.32Å; L13-S739 WeakPolarHBondContact CD1-OG 3.38Å; E735-S739 WeakPolarHBondContact O-CB 3.25Å; E735-S739 PolarHBondContact O-N 3.19Å; E735-S739 PolarHBondContact O-OG 3.43Å; V736-S739 PolarHBondContact O-N 3.24Å; V736-S739 PolarHBondContact O-OG 2.96Å |
| 740 | T | 61.8 | Low | 66.2 | Low | 18 Ų | 18 | 67.5 Ų | 67.5 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 126.8 | -174.9 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | L10 T287 R291 V736 | L10-T740 HydrophobicContact CD1-CG2 4.03Å; T287-T740 HydrophobicContact CG2-CG2 4.36Å; R291-T740 PolarHBondContact NH1-O 2.99Å; V736-T740 HydrophobicContact CG1-CG2 4.06Å; V736-T740 WeakPolarHBondContact O-CG2 3.47Å; V736-T740 PolarHBondContact O-N 2.97Å; V736-T740 PolarHBondContact O-OG1 3.27Å |
| 741 | V | 59.2 | Low | 64.7 | Low | 126 Ų | 126 | 69 Ų | 69 | 76% | 0.764 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -95.1 | 122.8 | 171.9 | -177.4 | 0 | 0 | 0 | 0 | 109 | ||
| 742 | S | 59.7 | Low | 62.8 | Low | 39 Ų | 39 | 69.5 Ų | 69.5 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -94 | 143.1 | 171.5 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | N288 R291 | N288-S742 WeakPolarHBondContact OD1-CA 3.42Å; N288-S742 WeakPolarHBondContact OD1-CB 3.33Å; N288-S742 PolarHBondContact OD1-OG 3.26Å; R291-S742 VanDerWaalsContact NH1-N 3.14Å |
| 743 | T | 58.3 | Low | 61.7 | Low | 55 Ų | 55 | 73.9 Ų | 73.9 | 34% | 0.337 | 43% | 0.426 | S | S | . | . | trans | -105.5 | 130.5 | 165.8 | 54.5 | 0 | 0 | 0 | 0 | 109.3 | Q284 N288 I745 | Q284-T743 VanDerWaalsContact CD-OG1 3.32Å; Q284-T743 PolarHBondContact NE2-OG1 2.97Å; N288-T743 PolarHBondContact ND2-O 2.97Å; T743-I745 PolarHBondContact O-N 3.5Å | ||
| 744 | P | 56.6 | Low | 60.3 | Low | 121 Ų | 121 | 78.5 Ų | 78.5 | 79% | 0.786 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 138.7 | 178 | 8.8 | -10.8 | 0 | 0 | 0 | 111.3 | ||
| 745 | I | 59.7 | Low | 58.4 | Low | 66 Ų | 66 | 83.5 Ų | 83.5 | 34% | 0.338 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 138.7 | 172.9 | -54.9 | 173.4 | 0 | 0 | 0 | 107.9 | R229 T743 | R229-I745 HydrophobicContact CG-CG2 4Å; R229-I745 VanDerWaalsContact NE-CG2 3.32Å; T743-I745 PolarHBondContact O-N 3.5Å |
| 746 | P | 58.1 | Low | 56.6 | Low | 72 Ų | 72 | 82.9 Ų | 82.9 | 47% | 0.468 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -52 | 153.5 | 173.8 | -25.2 | 34.1 | 0 | 0 | 0 | 112.2 | R229 | R229-P746 PolarHBondContact NE-O 3Å; R229-P746 PolarHBondContact NH2-O 2.96Å; R229-P746 VanDerWaalsContact NH2-O 3.1Å; R229-P746 WeakPolarHBondContact O-CG 3.45Å |
| 747 | P | 50.8 | Low | 55.2 | Low | 105 Ų | 105 | 89.2 Ų | 89.2 | 68% | 0.682 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 158.6 | 176.6 | 24.3 | -32.9 | 0 | 0 | 0 | 111.9 | V749 | P747-V749 PolarHBondContact O-N 3.46Š|
| 748 | P | 56.5 | Low | 53.7 | Low | 95 Ų | 95 | 94.3 Ų | 94.3 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 139.7 | 177.6 | -18.3 | 29.5 | 0 | 0 | 0 | 110.8 | ||
| 749 | V | 59.2 | Low | 51.9 | Low | 60 Ų | 60 | 92.8 Ų | 92.8 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 131.2 | 172.1 | -162.5 | 0 | 0 | 0 | 0 | 109.2 | P227 P747 | P227-V749 HydrophobicContact CB-CB 3.94Å; P227-V749 HydrophobicContact CB-CG1 3.26Å; P227-V749 HydrophobicContact CB-CG2 4.15Å; P227-V749 HydrophobicContact CG-CB 4.32Å; P227-V749 HydrophobicContact CG-CG1 3.46Å; P227-V749 VanDerWaalsContact CG-CG1 3.46Å; P747-V749 PolarHBondContact O-N 3.46Å |
| 750 | N | 51 | Low | 50.6 | Low | 116 Ų | 116 | 94 Ų | 94 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 120.6 | -176.9 | -144.5 | 21.5 | 0 | 0 | 0 | 109.5 | D752 | N750-D752 PolarHBondContact ND2-OD2 2.97Å; N750-D752 PolarHBondContact O-N 2.7Å |
| 751 | D | 55.6 | Low | 49.2 | Very low | 56 Ų | 56 | 96.5 Ų | 96.5 | 30% | 0.299 | 59% | 0.585 | S | S | . | * | trans | -83.4 | 8.6 | -179 | -92.7 | -12.5 | 0 | 0 | 0 | 112.8 | K192 W753 L754 | K192-D751 IonicContact NZ-OD1 3.86Å; K192-D751 PolarHBondContact NZ-OD1 3.16Å; K192-D751 IonicContact NZ-OD2 3.4Å; K192-D751 PolarHBondContact NZ-OD2 3.2Å; D751-W753 PolarHBondContact O-N 2.87Å; D751-L754 HydrophobicContact CB-CD1 4.43Å; D751-L754 WeakPolarHBondContact O-CB 3.32Å; D751-L754 PolarHBondContact O-N 3.2Å | ||
| 752 | D | 45.7 | Very low | 48.1 | Very low | 103 Ų | 103 | 98 Ų | 98 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -55 | -22.4 | -174 | -83 | -20.5 | 0 | 0 | 0 | 114.5 | N750 L754 L755 | N750-D752 PolarHBondContact ND2-OD2 2.97Å; N750-D752 PolarHBondContact O-N 2.7Å; D752-L754 VanDerWaalsContact C-N 3.33Å; D752-L754 PolarHBondContact O-N 3.33Å; D752-L755 PolarHBondContact O-N 2.97Å |
| 753 | W | 54.7 | Low | 47 | Very low | 107 Ų | 107 | 102.1 Ų | 102.1 | 41% | 0.405 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -69.4 | -27.1 | 178.5 | 68 | -88.7 | 0 | 0 | 0 | 113.4 | L225 D751 L755 S756 | L225-W753 WeakPolarHBondContact O-CH2 3.42Å; L225-W753 WeakPolarHBondContact O-CZ2 3.42Å; D751-W753 PolarHBondContact O-N 2.87Å; W753-L755 PolarHBondContact O-N 3.46Å; W753-L755 VanDerWaalsContact O-N 3.14Å; W753-S756 WeakPolarHBondContact CA-OG 3.4Å; W753-S756 WeakPolarHBondContact O-CB 3.39Å; W753-S756 PolarHBondContact O-N 3.09Å; W753-S756 VanDerWaalsContact O-N 3.1Å; W753-S756 PolarHBondContact O-OG 2.71Å |
| 754 | L | 48.7 | Very low | 46 | Very low | 97 Ų | 97 | 104.1 Ų | 104.1 | 51% | 0.508 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -64.9 | -14.7 | 179.1 | -91.3 | 153.6 | 0 | 0 | 0 | 113.9 | D751 D752 | D751-L754 HydrophobicContact CB-CD1 4.43Å; D751-L754 WeakPolarHBondContact O-CB 3.32Å; D751-L754 PolarHBondContact O-N 3.2Å; D752-L754 VanDerWaalsContact C-N 3.33Å; D752-L754 PolarHBondContact O-N 3.33Å |
| 755 | L | 41.1 | Very low | 45 | Very low | 153 Ų | 153 | 104.9 Ų | 104.9 | 80% | 0.801 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -91.6 | -3 | 176.8 | -75.6 | 160.6 | 0 | 0 | 0 | 113.6 | D752 W753 | D752-L755 PolarHBondContact O-N 2.97Å; W753-L755 PolarHBondContact O-N 3.46Å; W753-L755 VanDerWaalsContact O-N 3.14Å |
| 756 | S | 38.7 | Very low | 44 | Very low | 81 Ų | 81 | 105.3 Ų | 105.3 | 57% | 0.566 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -97.7 | -15.8 | -165.4 | -20.9 | 0 | 0 | 0 | 0 | 116.2 | W753 | W753-S756 WeakPolarHBondContact CA-OG 3.4Å; W753-S756 WeakPolarHBondContact O-CB 3.39Å; W753-S756 PolarHBondContact O-N 3.09Å; W753-S756 VanDerWaalsContact O-N 3.1Å; W753-S756 PolarHBondContact O-OG 2.71Å |
| 757 | D | 37.7 | Very low | 42.9 | Very low | 139 Ų | 139 | 107 Ų | 107 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | trans | -118.8 | 74 | -171.7 | -74 | -37.8 | 0 | 0 | 0 | 112.5 | ||||
| 758 | I | 37.7 | Very low | 42.2 | Very low | 160 Ų | 160 | 108.9 Ų | 108.9 | 82% | 0.821 | 68% | 0.683 | S | S | * | * | trans | -110 | 99.4 | 156.3 | -56.3 | 177 | 0 | 0 | 0 | 107 | G760 | I758-G760 PolarHBondContact O-N 2.92Š| ||
| 759 | P | 33.7 | Very low | 41.1 | Very low | 128 Ų | 128 | 108.2 Ų | 108.2 | 83% | 0.831 | 69% | 0.693 | S | S | * | * | trans | -83.4 | 111.2 | 176.6 | 2.2 | 14.9 | 0 | 0 | 0 | 110.3 | ||||
| 760 | G | 38.1 | Very low | 39.9 | Very low | 77 Ų | 77 | 111.7 Ų | 111.7 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | 140.1 | 112.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115 | I758 | I758-G760 PolarHBondContact O-N 2.92Š| ||
| 761 | G | 32.7 | Very low | 39.3 | Very low | 70 Ų | 70 | 113.9 Ų | 113.9 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 134.7 | 86.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 762 | L | 36.7 | Very low | 38.4 | Very low | 157 Ų | 157 | 116.4 Ų | 116.4 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | 61.4 | 103 | 133.7 | -60.6 | 167.2 | 0 | 0 | 0 | 119.8 | ||||
| 763 | T | 35.6 | Very low | 38.4 | Very low | 126 Ų | 126 | 117 Ų | 117 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | 44.8 | 112.3 | 123.5 | 60.2 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 764 | A | 38.1 | Very low | 38.1 | Very low | 98 Ų | 98 | 118.1 Ų | 118.1 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | 162.8 | 139.3 | 104.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 765 | P | 35.5 | Very low | 37.8 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -98.4 | 142.4 | -179.8 | 36 | -28.7 | 0 | 0 | 0 | 112.8 | ||||
| 766 | G | 38 | Very low | 37.7 | Very low | 74 Ų | 74 | 117.7 Ų | 117.7 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 139.5 | 124.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 767 | S | 36 | Very low | 37.9 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 76.7 | 103.9 | 147.3 | 89.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 768 | T | 34.5 | Very low | 37.9 | Very low | 143 Ų | 143 | 118.5 Ų | 118.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | 43.5 | 111.6 | 123.7 | 57.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 769 | G | 34.7 | Very low | 38.2 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -174.6 | 94.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 770 | T | 33.7 | Very low | 38.2 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -63.4 | 147.8 | 169.8 | 39.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 771 | L | 37.5 | Very low | 38.4 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 135.5 | 157.9 | 150.3 | -73.6 | 161.8 | 0 | 0 | 0 | 112.2 | ||||
| 772 | P | 38.1 | Very low | 39 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | -130 | -178.1 | -64.8 | 35.2 | -14.5 | 0 | 0 | 0 | 111.1 | |||||
| 773 | P | 44.2 | Very low | 39.5 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 155.4 | -170.8 | 33.7 | -32.4 | 0 | 0 | 0 | 113.5 | ||
| 774 | P | 49.7 | Very low | 40.3 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 144 | -170 | 33.3 | -32.9 | 0 | 0 | 0 | 113.7 | ||
| 775 | S | 41.4 | Very low | 41.1 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 153.2 | 177.2 | -44.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 776 | P | 40.3 | Very low | 42 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 139.2 | 178.8 | 35.1 | -29.8 | 0 | 0 | 0 | 112.1 | ||
| 777 | T | 41.8 | Very low | 42.9 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -108.1 | 122.7 | 173.3 | 28.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 778 | A | 38.1 | Very low | 43.8 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -11.5 | 132.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 779 | N | 43.2 | Very low | 44 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | -149.6 | 142.2 | 131.9 | -115.6 | -16 | 0 | 0 | 0 | 112.9 | ||||
| 780 | R | 35.1 | Very low | 44.1 | Very low | 240 Ų | 240 | 131 Ų | 131 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -77.8 | 139.8 | -160.3 | -65.4 | 169.2 | 169.7 | -169.7 | -4 | 115.1 | ||||
| 781 | R | 41.4 | Very low | 44.3 | Very low | 244 Ų | 244 | 136.5 Ų | 136.5 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -160.4 | 147.7 | 142 | -113.7 | -178.2 | 177.2 | -171.8 | -0.8 | 110.5 | ||||
| 782 | P | 46.2 | Very low | 44.3 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 154.1 | -162.7 | 33.9 | -33 | 0 | 0 | 0 | 113.7 | ||
| 783 | P | 46.2 | Very low | 44.3 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 154.7 | -177.8 | 36.7 | -30.4 | 0 | 0 | 0 | 113.9 | ||
| 784 | A | 52.2 | Low | 44.1 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 160.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 785 | P | 55.2 | Low | 43.5 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82 | 156.6 | -168.4 | 33.1 | -33.2 | 0 | 0 | 0 | 113.9 | ||
| 786 | P | 55.3 | Low | 43.3 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 163 | -178.7 | 37.1 | -33.3 | 0 | 0 | 0 | 112.9 | ||
| 787 | P | 56.3 | Low | 43.3 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 151.3 | 170.9 | 32.8 | -31.5 | 0 | 0 | 0 | 111.8 | ||
| 788 | P | 54.7 | Low | 43 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 133.2 | 175.9 | 3.1 | 14.1 | 0 | 0 | 0 | 110.1 | ||
| 789 | G | 37.9 | Very low | 42.9 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | 82.5 | 96.6 | 64.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 790 | G | 37 | Very low | 42.7 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | 106.3 | 126.2 | 85.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 791 | W | 39.3 | Very low | 42.9 | Very low | 248 Ų | 248 | 130.2 Ų | 130.2 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | -177.3 | 121.9 | 88.2 | -70.7 | -11.5 | 0 | 0 | 0 | 108.5 | |||||
| 792 | S | 37.2 | Very low | 42.6 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | 47.3 | 136.5 | 91.7 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 793 | S | 37.8 | Very low | 42.3 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | cis | -169.4 | 154.7 | 17.1 | -169.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 794 | T | 38.8 | Very low | 42 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | -177.8 | 135 | 77.2 | 45.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 795 | N | 38.9 | Very low | 41.2 | Very low | 156 Ų | 156 | 122.2 Ų | 122.2 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 41.4 | 140 | 137.1 | -65.5 | -12 | 0 | 0 | 0 | 121.2 | ||||
| 796 | S | 37.4 | Very low | 40.3 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | cis | -164.8 | 143 | 34.6 | 59 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 797 | T | 38.8 | Very low | 39.3 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | 41.8 | 131 | 138.5 | 58.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 798 | G | 36.1 | Very low | 38.4 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | cis | -179.3 | 166 | 14 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 799 | S | 35.7 | Very low | 37.6 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -33.2 | 143.1 | 179.2 | -163.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 800 | I | 40.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | -178.3 | 142 | 102.8 | -84.5 | 159.5 | 0 | 0 | 0 | 111.1 | |||||
| 801 | K | 38.3 | Very low | 37.3 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | -52.8 | 151.9 | -178.4 | -63.1 | 166.8 | 172.3 | 176.6 | 0 | 115.9 | ||||
| 802 | G | 35.3 | Very low | 37.1 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | 129.5 | 120.7 | 125.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 803 | S | 39.5 | Very low | 36.7 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | 77.2 | 109 | 145 | 57.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 804 | A | 40.5 | Very low | 36.5 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | 68.9 | 131.3 | 130 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 805 | P | 34.7 | Very low | 36.1 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -89 | 143 | -174.2 | 36.2 | -32.1 | 0 | 0 | 0 | 111.6 | ||||
| 806 | R | 36.7 | Very low | 35.7 | Very low | 247 Ų | 247 | 131.5 Ų | 131.5 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -122.4 | 120.7 | 167.2 | -139.3 | 177.8 | -170.3 | -157.5 | 1.8 | 110.3 | ||||
| 807 | Q | 33.7 | Very low | 35.4 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -61.7 | 143.8 | 169.9 | -64.7 | 168.8 | -19.3 | 0 | 0 | 111.5 | ||||
| 808 | V | 38.6 | Very low | 35.2 | Very low | 143 Ų | 143 | 130 Ų | 130 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -162.7 | 157.8 | 146.1 | -106.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 809 | P | 37.5 | Very low | 35 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | -120.4 | -175.2 | -128.7 | 21.5 | 4.2 | 0 | 0 | 0 | 114.1 | |||||
| 810 | S | 32.6 | Very low | 34.8 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -69.6 | 162.9 | -170.8 | 48.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 811 | V | 35.3 | Very low | 34.5 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | trans | 91.4 | 149.7 | 148.9 | -160.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 812 | P | 35.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -135.7 | 173.3 | -39.3 | 39.8 | -23.4 | 0 | 0 | 0 | 116.3 | ||||
| 813 | A | 28.8 | Very low | 34.3 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | 7.8 | 129.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 814 | K | 33.3 | Very low | 34 | Very low | 197 Ų | 197 | 138.4 Ų | 138.4 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -165.8 | 115.5 | 142.5 | -107.6 | 172.2 | -171.9 | -177.2 | 0 | 113.5 | ||||
| 815 | T | 31.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | 42.9 | 118 | 132.3 | 60.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 816 | S | 30.5 | Very low | 33.6 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | 66.3 | 130.7 | 128.3 | 68 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 817 | S | 31.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | 90 | 125.4 | 146.4 | 73.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 818 | G | 33.5 | Very low | 33.3 | Very low | 83 Ų | 83 | 139 Ų | 139 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 155.4 | 63 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 819 | Q | 32.2 | Very low | 33 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -69 | 144.7 | 168.3 | -94.6 | 173.2 | -22.9 | 0 | 0 | 111.8 | ||||
| 820 | L | 32.4 | Very low | 33 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -128.2 | 124.6 | 151.3 | -87.4 | 162.6 | 0 | 0 | 0 | 107.9 | ||||
| 821 | P | 33.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -92 | 147.2 | -176.3 | 34.4 | -30.9 | 0 | 0 | 0 | 112.7 | ||
| 822 | S | 35.3 | Very low | 33.1 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 154.5 | 170.1 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 823 | P | 33.6 | Very low | 33 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 148.3 | -152.4 | 30.7 | -34.1 | 0 | 0 | 0 | 115.5 | ||
| 824 | L | 32.1 | Very low | 33.1 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132.5 | 178.2 | -77.8 | 144.7 | 0 | 0 | 0 | 113 | ||
| 825 | I | 34.5 | Very low | 33.2 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 77% | 0.774 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 135.7 | 164.7 | -61.3 | 174.6 | 0 | 0 | 0 | 108.3 | Q827 | I825-Q827 PolarHBondContact O-N 3.29Š|
| 826 | P | 32.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70 | 128.2 | -171.1 | -15.8 | 30.2 | 0 | 0 | 0 | 113.6 | ||
| 827 | Q | 31.9 | Very low | 33.7 | Very low | 191 Ų | 191 | 149 Ų | 149 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 123.9 | 169.2 | -72.1 | -179.6 | -27.5 | 0 | 0 | 110.7 | I825 | I825-Q827 PolarHBondContact O-N 3.29Š|
| 828 | R | 33.7 | Very low | 33.9 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 79% | 0.789 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -84 | 118.1 | 161.6 | -100.6 | -172.3 | -176.9 | -176.6 | 2.3 | 109.1 | Y830 | R828-Y830 HydrophobicContact CB-CE2 4.43Š|
| 829 | L | 31.4 | Very low | 33.8 | Very low | 171 Ų | 171 | 154.1 Ų | 154.1 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.4 | 166.2 | -77.6 | 137.7 | 0 | 0 | 0 | 110.1 | ||
| 830 | Y | 37.5 | Very low | 34.1 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -114.8 | 132 | 157.8 | -74.9 | -81.8 | 0 | 0 | 0 | 108.3 | R828 | R828-Y830 HydrophobicContact CB-CE2 4.43Š| ||
| 831 | P | 38.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -73.1 | 129.3 | 177.9 | -6 | 22.3 | 0 | 0 | 0 | 110.4 | ||||
| 832 | A | 31.1 | Very low | 34.4 | Very low | 90 Ų | 90 | 151 Ų | 151 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -80.5 | 124.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 833 | D | 33.6 | Very low | 34.4 | Very low | 160 Ų | 160 | 151 Ų | 151 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | 167.7 | 96.9 | 146.4 | -88.4 | -22.2 | 0 | 0 | 0 | 110 | ||||
| 834 | M | 31.6 | Very low | 34.6 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 177.8 | 101.8 | 147.6 | -106.8 | 178.6 | 72.9 | 0 | 0 | 107.8 | ||||
| 835 | F | 35.8 | Very low | 34.8 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -173.9 | 123.5 | 133.3 | -86.7 | -61.3 | 0 | 0 | 0 | 108.2 | ||||
| 836 | P | 38.6 | Very low | 34.8 | Very low | 123 Ų | 123 | 147 Ų | 147 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -79 | 135.7 | -173.2 | 31.1 | -31.6 | 0 | 0 | 0 | 111.7 | ||||
| 837 | V | 32.3 | Very low | 35 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -66.9 | 123.2 | 169 | 174.7 | 0 | 0 | 0 | 0 | 109.5 | K839 | V837-K839 HydrophobicContact CG1-CG 3.93Š| ||
| 838 | V | 35.6 | Very low | 35.1 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 108.1 | 157.9 | 178.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 839 | K | 32.8 | Very low | 35.2 | Very low | 182 Ų | 182 | 142 Ų | 142 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -83.8 | 128 | 163.8 | -76.9 | 178 | 175.8 | 176.1 | 0 | 107.2 | V837 | V837-K839 HydrophobicContact CG1-CG 3.93Š| ||
| 840 | D | 37.4 | Very low | 35.3 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -133 | 136.9 | 150.9 | -95.5 | -33.9 | 0 | 0 | 0 | 110.5 | ||||
| 841 | S | 37.4 | Very low | 35.3 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -105.8 | 139.7 | -164.8 | 42 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 842 | N | 36.5 | Very low | 35.1 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | 29.1 | 120.9 | 150.3 | -80.9 | -6.8 | 0 | 0 | 0 | 119.8 | ||||
| 843 | S | 35.7 | Very low | 35.2 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | 173.8 | 153.5 | 102.6 | -72.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 844 | P | 36.3 | Very low | 35.3 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -94.2 | 150.3 | -158.4 | 36.5 | -32.2 | 0 | 0 | 0 | 113.7 | ||||
| 845 | G | 36.2 | Very low | 35.4 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -159 | 106.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 846 | I | 35.1 | Very low | 35.7 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 82% | 0.821 | 81% | 0.812 | S | S | * | * | trans | -53.3 | 137.5 | 171.4 | -65.3 | 161 | 0 | 0 | 0 | 110.8 | ||||
| 847 | I | 36.3 | Very low | 35.8 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -170.8 | 122.3 | 134.9 | -88.2 | 145.1 | 0 | 0 | 0 | 109.6 | ||||
| 848 | N | 33.5 | Very low | 36.9 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -65.6 | 144 | 169.9 | -78.2 | -35.1 | 0 | 0 | 0 | 112.2 | ||||
| 849 | S | 36.8 | Very low | 37.4 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | -177.1 | 119.5 | 115 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 850 | M | 34 | Very low | 38 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | 53.4 | 113 | 133.9 | -63.1 | -178.8 | 164 | 0 | 0 | 120.1 | ||||
| 851 | T | 35.8 | Very low | 38.6 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | -164 | 119.1 | 104.5 | 25.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 852 | S | 34.3 | Very low | 38.6 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 84% | 0.843 | S | S | * | * | trans | -103.4 | 135.9 | 179.7 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 853 | F | 32.9 | Very low | 38.7 | Very low | 208 Ų | 208 | 138.1 Ų | 138.1 | 91% | 0.912 | 84% | 0.843 | S | S | * | * | trans | -143.9 | 127.3 | 148.7 | -87 | -73.6 | 0 | 0 | 0 | 109.9 | ||||
| 854 | P | 35.8 | Very low | 38.9 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 85% | 0.845 | S | S | * | * | trans | -91.2 | 141.4 | 178.1 | 35.3 | -29.4 | 0 | 0 | 0 | 110.7 | ||||
| 855 | L | 35.5 | Very low | 39.1 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 96% | 0.958 | 84% | 0.844 | S | S | * | * | trans | -107.9 | 107.6 | 169.4 | -91.7 | 156.9 | 0 | 0 | 0 | 110 | ||||
| 856 | V | 41.2 | Very low | 39.2 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.715 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 144.8 | 171.6 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 857 | P | 40.6 | Very low | 39.5 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 70% | 0.695 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 144.5 | 172.7 | 31.2 | -32.3 | 0 | 0 | 0 | 111.3 | S859 | P857-S859 PolarHBondContact O-N 3.39Š|
| 858 | P | 55.3 | Low | 39.7 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -74 | 124.7 | -175.7 | 29.7 | -31.8 | 0 | 0 | 0 | 111.4 | ||
| 859 | S | 46 | Very low | 40.1 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 130.8 | 162.5 | -25.5 | 0 | 0 | 0 | 0 | 108.9 | P857 | P857-S859 PolarHBondContact O-N 3.39Š|
| 860 | I | 45.5 | Very low | 40.4 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 84% | 0.836 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 132.3 | 172.6 | -61.1 | 169 | 0 | 0 | 0 | 108.7 | ||
| 861 | P | 50.7 | Low | 40.9 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 86% | 0.858 | S | S | * | * | trans | -101.5 | 108.7 | 165 | 32.2 | -21.8 | 0 | 0 | 0 | 111.3 | ||||
| 862 | A | 37.7 | Very low | 41.4 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 100% | 1.43 | 85% | 0.853 | S | S | * | * | trans | -173.5 | 0 | 140 | 0 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 862 of 862 residues in 211.2 ms
(Link to these results)