| 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 | 50.7 | Low | 84.1 | Confident | 184 Ų | 184 | 93.9 Ų | 93.9 | 91% | 0.906 | 46% | 0.46 | S | S | * | . | 0 | 141.6 | 0 | -128.3 | 176.1 | 178.4 | 0 | 0 | 108.2 | V3 L6 I29 | M1-V3 PolarHBondContact O-N 3.29Å; M1-L6 HydrophobicContact CE-CD2 4.46Å; M1-L6 HydrophobicContact SD-CD1 4.13Å; M1-L6 HydrophobicContact SD-CD2 4.38Å; M1-I29 HydrophobicContact CB-CD1 4.15Å | |||
| 2 | N | 76.9 | Confident | 84.7 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | trans | -82.5 | 106.9 | -178 | -169.4 | -19.7 | 0 | 0 | 0 | 110.3 | R4 K5 L6 | N2-R4 PolarHBondContact O-N 3.45Å; N2-R4 VanDerWaalsContact O-N 3.15Å; N2-R4 PolarHBondContact OD1-N 3.01Å; N2-K5 HydrophobicContact CB-CD 4.42Å; N2-K5 HydrophobicContact CB-CG 4.27Å; N2-K5 WeakPolarHBondContact O-CB 3.45Å; N2-K5 PolarHBondContact O-N 3.35Å; N2-L6 PolarHBondContact O-N 2.86Å | ||
| 3 | V | 82.7 | Confident | 85.2 | Confident | 17 Ų | 17 | 94 Ų | 94 | 10% | 0.103 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -52.9 | -35.8 | -176.6 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | M1 K5 L6 I7 I26 I29 Y30 | M1-V3 PolarHBondContact O-N 3.29Å; V3-K5 VanDerWaalsContact C-N 3.34Å; V3-K5 PolarHBondContact O-N 2.88Å; V3-L6 PolarHBondContact O-N 3.31Å; V3-L6 VanDerWaalsContact O-N 3.14Å; V3-I7 HydrophobicContact CG1-CD1 3.84Å; V3-I7 HydrophobicContact CG1-CG1 4.27Å; V3-I7 WeakPolarHBondContact O-CG1 3.48Å; V3-I7 PolarHBondContact O-N 3.18Å; V3-I26 HydrophobicContact CG1-CG2 4.05Å; V3-I29 HydrophobicContact CG2-CB 4.26Å; V3-I29 HydrophobicContact CG2-CD1 4.47Å; V3-I29 HydrophobicContact CG2-CG2 3.47Å; V3-I29 VanDerWaalsContact CG2-CG2 3.47Å; V3-Y30 HydrophobicContact CG1-CE1 4.33Å; V3-Y30 HydrophobicContact CG1-CE2 4.15Å |
| 4 | R | 84.9 | Confident | 85.3 | Confident | 195 Ų | 195 | 101.9 Ų | 101.9 | 74% | 0.736 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.7 | -43.6 | 176 | -73.1 | -174.4 | 179.4 | 173.3 | 0.8 | 112.5 | N2 L6 I7 E8 | N2-R4 PolarHBondContact O-N 3.45Å; N2-R4 VanDerWaalsContact O-N 3.15Å; N2-R4 PolarHBondContact OD1-N 3.01Å; R4-L6 VanDerWaalsContact C-N 3.3Å; R4-L6 PolarHBondContact O-N 2.76Å; R4-I7 PolarHBondContact O-N 2.88Å; R4-E8 WeakPolarHBondContact O-CG 3.41Å; R4-E8 PolarHBondContact O-N 3.19Å |
| 5 | K | 86.6 | Confident | 85.6 | Confident | 144 Ų | 144 | 99.9 Ų | 99.9 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -37.3 | 178.2 | -69.1 | -171.8 | 177.3 | -176.5 | 0 | 111.8 | N2 V3 Q9 | N2-K5 HydrophobicContact CB-CD 4.42Å; N2-K5 HydrophobicContact CB-CG 4.27Å; N2-K5 WeakPolarHBondContact O-CB 3.45Å; N2-K5 PolarHBondContact O-N 3.35Å; V3-K5 VanDerWaalsContact C-N 3.34Å; V3-K5 PolarHBondContact O-N 2.88Å; K5-Q9 WeakPolarHBondContact O-CB 3.31Å; K5-Q9 PolarHBondContact O-N 2.96Å |
| 6 | L | 90.2 | Very high | 85.7 | Confident | 8 Ų | 8 | 97.7 Ų | 97.7 | 4% | 0.042 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 177.2 | -68.2 | 171.7 | 0 | 0 | 0 | 111.8 | M1 N2 V3 R4 Q9 R10 L22 T25 I26 I29 | M1-L6 HydrophobicContact CE-CD2 4.46Å; M1-L6 HydrophobicContact SD-CD1 4.13Å; M1-L6 HydrophobicContact SD-CD2 4.38Å; N2-L6 PolarHBondContact O-N 2.86Å; V3-L6 PolarHBondContact O-N 3.31Å; V3-L6 VanDerWaalsContact O-N 3.14Å; R4-L6 VanDerWaalsContact C-N 3.3Å; R4-L6 PolarHBondContact O-N 2.76Å; L6-Q9 PolarHBondContact O-N 3.17Å; L6-R10 WeakPolarHBondContact O-CB 3.26Å; L6-R10 PolarHBondContact O-N 3.19Å; L6-L22 HydrophobicContact CD2-CD2 3.86Å; L6-T25 HydrophobicContact CD1-CG2 4.04Å; L6-I26 HydrophobicContact CB-CD1 4.06Å; L6-I26 HydrophobicContact CB-CG1 3.71Å; L6-I26 HydrophobicContact CD1-CG1 4.32Å; L6-I29 HydrophobicContact CD1-CD1 3.45Å; L6-I29 VanDerWaalsContact CD1-CD1 3.45Å |
| 7 | I | 89.5 | Confident | 85.8 | Confident | 62 Ų | 62 | 99.2 Ų | 99.2 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 174.6 | -67.7 | 169.3 | 0 | 0 | 0 | 110.5 | V3 R4 R10 A11 I26 | V3-I7 HydrophobicContact CG1-CD1 3.84Å; V3-I7 HydrophobicContact CG1-CG1 4.27Å; V3-I7 WeakPolarHBondContact O-CG1 3.48Å; V3-I7 PolarHBondContact O-N 3.18Å; R4-I7 PolarHBondContact O-N 2.88Å; I7-R10 PolarHBondContact O-N 3.24Å; I7-A11 PolarHBondContact O-N 2.96Å; I7-I26 HydrophobicContact CG1-CD1 3.84Å; I7-I26 HydrophobicContact CG1-CG1 4.48Å |
| 8 | E | 90.1 | Very high | 86.1 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.1 | -73.6 | 173.8 | -158.5 | 0 | 0 | 112.3 | R4 A11 K12 | R4-E8 WeakPolarHBondContact O-CG 3.41Å; R4-E8 PolarHBondContact O-N 3.19Å; E8-A11 PolarHBondContact O-N 2.87Å; E8-K12 WeakPolarHBondContact O-CG 3.48Å; E8-K12 PolarHBondContact O-N 2.94Å |
| 9 | Q | 90.3 | Very high | 86.3 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 176.2 | -170.5 | 176.8 | -3.8 | 0 | 0 | 110.6 | K5 L6 A11 K12 T13 L22 | K5-Q9 WeakPolarHBondContact O-CB 3.31Å; K5-Q9 PolarHBondContact O-N 2.96Å; L6-Q9 PolarHBondContact O-N 3.17Å; Q9-A11 VanDerWaalsContact C-N 3.27Å; Q9-A11 PolarHBondContact O-N 2.83Å; Q9-K12 PolarHBondContact O-N 3.08Å; Q9-T13 PolarHBondContact O-N 3.11Å; Q9-T13 PolarHBondContact O-OG1 2.95Å; Q9-L22 HydrophobicContact CB-CD1 4.35Å; Q9-L22 HydrophobicContact CG-CD1 3.94Å; Q9-L22 HydrophobicContact CG-CD2 4.33Å |
| 10 | R | 92.7 | Very high | 86.5 | Confident | 29 Ų | 29 | 94 Ų | 94 | 11% | 0.109 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -58.6 | -37.1 | 177.1 | -177.1 | 178.8 | 63 | 172.7 | -10.6 | 112.6 | L6 I7 K12 T13 K19 L22 T23 E42 | L6-R10 WeakPolarHBondContact O-CB 3.26Å; L6-R10 PolarHBondContact O-N 3.19Å; I7-R10 PolarHBondContact O-N 3.24Å; R10-K12 VanDerWaalsContact C-N 3.32Å; R10-T13 PolarHBondContact O-N 3.3Å; R10-K19 HydrophobicContact CG-CG 3.7Å; R10-L22 HydrophobicContact CB-CB 4.09Å; R10-L22 HydrophobicContact CB-CD1 4.12Å; R10-L22 HydrophobicContact CG-CB 4.34Å; R10-T23 WeakPolarHBondContact CD-OG1 3.49Å; R10-T23 PolarHBondContact NH1-OG1 3.46Å; R10-T23 VanDerWaalsContact NH1-OG1 3.07Å; R10-E42 IonicContact CZ-OE2 2.61Å; R10-E42 IonicContact NH1-OE2 2.75Å; R10-E42 PolarHBondContact NH1-OE2 3.39Å; R10-E42 IonicContact NH2-OE1 2.69Å; R10-E42 PolarHBondContact NH2-OE1 3.18Å; R10-E42 IonicContact NH2-OE2 3.21Å; R10-E42 PolarHBondContact NH2-OE2 3.18Å |
| 11 | A | 90.2 | Very high | 86.7 | Confident | 87 Ų | 87 | 94.3 Ų | 94.3 | 72% | 0.719 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68 | -31.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I7 E8 Q9 | I7-A11 PolarHBondContact O-N 2.96Å; E8-A11 PolarHBondContact O-N 2.87Å; Q9-A11 VanDerWaalsContact C-N 3.27Å; Q9-A11 PolarHBondContact O-N 2.83Å |
| 12 | K | 91.7 | Very high | 88.7 | Confident | 166 Ų | 166 | 86.5 Ų | 86.5 | 72% | 0.722 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -82.6 | -23.9 | 177.5 | -66.8 | 173.3 | -175.8 | 173.4 | 0 | 113 | E8 Q9 R10 K14 | E8-K12 WeakPolarHBondContact O-CG 3.48Å; E8-K12 PolarHBondContact O-N 2.94Å; Q9-K12 PolarHBondContact O-N 3.08Å; R10-K12 VanDerWaalsContact C-N 3.32Å; K12-K14 PolarHBondContact O-N 2.83Å |
| 13 | T | 90.7 | Very high | 89.5 | Confident | 23 Ų | 23 | 82.2 Ų | 82.2 | 14% | 0.141 | 39% | 0.393 | C | S | . | . | trans | -71.7 | 120.4 | -177.5 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | Q9 R10 V15 E18 K19 L22 | Q9-T13 PolarHBondContact O-N 3.11Å; Q9-T13 PolarHBondContact O-OG1 2.95Å; R10-T13 PolarHBondContact O-N 3.3Å; T13-V15 HydrophobicContact CG2-CB 4.46Å; T13-V15 WeakPolarHBondContact CG2-O 3.12Å; T13-E18 HydrophobicContact CG2-CB 3.47Å; T13-E18 VanDerWaalsContact CG2-CB 3.47Å; T13-E18 WeakPolarHBondContact CG2-OE2 3.48Å; T13-K19 HydrophobicContact CG2-CB 4.3Å; T13-L22 WeakPolarHBondContact OG1-CD1 3.38Å | ||
| 14 | K | 87.3 | Confident | 89.9 | Confident | 204 Ų | 204 | 83.4 Ų | 83.4 | 89% | 0.887 | 40% | 0.398 | S | S | * | . | trans | -88.8 | -24 | 174.5 | -65.9 | -175.8 | 179.7 | -179.6 | 0 | 113.4 | K12 T16 | K12-K14 PolarHBondContact O-N 2.83Å; K14-T16 PolarHBondContact O-N 2.9Å | ||
| 15 | V | 89.8 | Confident | 90.2 | Very high | 73 Ų | 73 | 76.9 Ų | 76.9 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | trans | -76.8 | 118.2 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | T13 K17 E18 K19 | T13-V15 HydrophobicContact CG2-CB 4.46Å; T13-V15 WeakPolarHBondContact CG2-O 3.12Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 HydrophobicContact CG1-CB 4.43Å; V15-K17 PolarHBondContact O-N 3.15Å; V15-E18 HydrophobicContact CB-CB 4.12Å; V15-E18 HydrophobicContact CB-CG 4.03Å; V15-E18 HydrophobicContact CG1-CB 4.39Å; V15-E18 HydrophobicContact CG1-CG 4.05Å; V15-E18 PolarHBondContact O-N 2.79Å; V15-K19 WeakPolarHBondContact O-CB 3.35Å; V15-K19 PolarHBondContact O-N 2.86Å | ||
| 16 | T | 87.3 | Confident | 90.5 | Very high | 64 Ų | 64 | 70 Ų | 70 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.3 | -42.4 | -177.4 | 43.9 | 0 | 0 | 0 | 0 | 113.7 | K14 K19 A20 K53 | K14-T16 PolarHBondContact O-N 2.9Å; T16-K19 WeakPolarHBondContact O-CB 3.34Å; T16-K19 PolarHBondContact O-N 3.07Å; T16-A20 PolarHBondContact O-N 2.81Å; T16-K53 WeakPolarHBondContact OG1-CE 3.24Å |
| 17 | K | 87.4 | Confident | 90.5 | Very high | 124 Ų | 124 | 69.6 Ų | 69.6 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 177.6 | -173.6 | 178.2 | 178 | -175.9 | 0 | 112.5 | V15 K19 A20 E21 W50 | V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 HydrophobicContact CG1-CB 4.43Å; V15-K17 PolarHBondContact O-N 3.15Å; K17-K19 VanDerWaalsContact C-N 3.29Å; K17-K19 PolarHBondContact O-N 3.39Å; K17-A20 WeakPolarHBondContact O-CB 3.48Å; K17-A20 PolarHBondContact O-N 3.3Å; K17-A20 VanDerWaalsContact O-N 3.17Å; K17-E21 VanDerWaalsContact CE-OE1 3.29Å; K17-E21 WeakPolarHBondContact CE-OE1 2.85Å; K17-E21 WeakPolarHBondContact O-CG 3.4Å; K17-E21 PolarHBondContact O-N 3.35Å; K17-W50 HydrophobicContact CG-CH2 4.4Å |
| 18 | E | 90.1 | Very high | 90.3 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 175.7 | -67.9 | 177.5 | 178.1 | 0 | 0 | 111.4 | T13 V15 A20 E21 L22 | T13-E18 HydrophobicContact CG2-CB 3.47Å; T13-E18 VanDerWaalsContact CG2-CB 3.47Å; T13-E18 WeakPolarHBondContact CG2-OE2 3.48Å; V15-E18 HydrophobicContact CB-CB 4.12Å; V15-E18 HydrophobicContact CB-CG 4.03Å; V15-E18 HydrophobicContact CG1-CB 4.39Å; V15-E18 HydrophobicContact CG1-CG 4.05Å; V15-E18 PolarHBondContact O-N 2.79Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 3.48Å; E18-E21 PolarHBondContact O-N 3.42Å; E18-L22 WeakPolarHBondContact O-CB 3.13Å; E18-L22 WeakPolarHBondContact O-CG 3.27Å; E18-L22 PolarHBondContact O-N 3.11Å |
| 19 | K | 91 | Very high | 90 | Very high | 92 Ų | 92 | 63.8 Ų | 63.8 | 40% | 0.4 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 175.3 | -164.6 | -178.8 | -178.9 | -179.2 | 0 | 111.6 | R10 T13 V15 T16 K17 T23 | R10-K19 HydrophobicContact CG-CG 3.7Å; T13-K19 HydrophobicContact CG2-CB 4.3Å; V15-K19 WeakPolarHBondContact O-CB 3.35Å; V15-K19 PolarHBondContact O-N 2.86Å; T16-K19 WeakPolarHBondContact O-CB 3.34Å; T16-K19 PolarHBondContact O-N 3.07Å; K17-K19 VanDerWaalsContact C-N 3.29Å; K17-K19 PolarHBondContact O-N 3.39Å; K19-T23 WeakPolarHBondContact O-CB 3.39Å; K19-T23 PolarHBondContact O-N 3.47Å; K19-T23 PolarHBondContact O-OG1 3.02Å |
| 20 | A | 89.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T16 K17 E18 L22 T23 L24 Y46 V49 W50 | T16-A20 PolarHBondContact O-N 2.81Å; K17-A20 WeakPolarHBondContact O-CB 3.48Å; K17-A20 PolarHBondContact O-N 3.3Å; K17-A20 VanDerWaalsContact O-N 3.17Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 3.48Å; A20-L22 PolarHBondContact O-N 3.28Å; A20-T23 WeakPolarHBondContact O-CB 3.49Å; A20-T23 PolarHBondContact O-N 3.33Å; A20-T23 VanDerWaalsContact O-N 3.17Å; A20-L24 WeakPolarHBondContact O-CB 3.5Å; A20-L24 PolarHBondContact O-N 2.74Å; A20-Y46 HydrophobicContact CB-CD2 4.19Å; A20-Y46 HydrophobicContact CB-CE2 4.04Å; A20-Y46 WeakPolarHBondContact O-CD2 3.11Å; A20-V49 HydrophobicContact CB-CG1 3.95Å; A20-W50 HydrophobicContact CB-CH2 4.32Å; A20-W50 HydrophobicContact CB-CZ2 3.43Å; A20-W50 VanDerWaalsContact CB-CZ2 3.43Å |
| 21 | E | 91.6 | Very high | 89.2 | Confident | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.8 | -73.4 | 172 | -172.4 | 0 | 0 | 112 | K17 E18 L24 T25 | K17-E21 VanDerWaalsContact CE-OE1 3.29Å; K17-E21 WeakPolarHBondContact CE-OE1 2.85Å; K17-E21 WeakPolarHBondContact O-CG 3.4Å; K17-E21 PolarHBondContact O-N 3.35Å; E18-E21 PolarHBondContact O-N 3.42Å; E21-L24 PolarHBondContact O-N 3.18Å; E21-T25 WeakPolarHBondContact O-CB 3.23Å; E21-T25 PolarHBondContact O-N 2.64Å; E21-T25 PolarHBondContact O-OG1 3.22Å |
| 22 | L | 91.7 | Very high | 88.5 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 172.8 | -73.6 | 168 | 0 | 0 | 0 | 111.8 | L6 Q9 R10 T13 E18 A20 T25 I26 | L6-L22 HydrophobicContact CD2-CD2 3.86Å; Q9-L22 HydrophobicContact CB-CD1 4.35Å; Q9-L22 HydrophobicContact CG-CD1 3.94Å; Q9-L22 HydrophobicContact CG-CD2 4.33Å; R10-L22 HydrophobicContact CB-CB 4.09Å; R10-L22 HydrophobicContact CB-CD1 4.12Å; R10-L22 HydrophobicContact CG-CB 4.34Å; T13-L22 WeakPolarHBondContact OG1-CD1 3.38Å; E18-L22 WeakPolarHBondContact O-CB 3.13Å; E18-L22 WeakPolarHBondContact O-CG 3.27Å; E18-L22 PolarHBondContact O-N 3.11Å; A20-L22 PolarHBondContact O-N 3.28Å; L22-T25 PolarHBondContact O-N 3.16Å; L22-I26 WeakPolarHBondContact O-CD1 3.5Å; L22-I26 VanDerWaalsContact O-CG1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.42Å; L22-I26 PolarHBondContact O-N 2.74Å |
| 23 | T | 93.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | R10 K19 A20 T25 I26 A27 E42 K45 | R10-T23 WeakPolarHBondContact CD-OG1 3.49Å; R10-T23 PolarHBondContact NH1-OG1 3.46Å; R10-T23 VanDerWaalsContact NH1-OG1 3.07Å; K19-T23 WeakPolarHBondContact O-CB 3.39Å; K19-T23 PolarHBondContact O-N 3.47Å; K19-T23 PolarHBondContact O-OG1 3.02Å; A20-T23 WeakPolarHBondContact O-CB 3.49Å; A20-T23 PolarHBondContact O-N 3.33Å; A20-T23 VanDerWaalsContact O-N 3.17Å; T23-T25 VanDerWaalsContact C-N 3.33Å; T23-T25 PolarHBondContact O-N 3.42Å; T23-I26 PolarHBondContact O-N 2.73Å; T23-A27 WeakPolarHBondContact O-CB 2.87Å; T23-A27 PolarHBondContact O-N 3.07Å; T23-E42 WeakPolarHBondContact CG2-O 3.31Å; T23-K45 HydrophobicContact CG2-CB 4.16Å |
| 24 | L | 92.5 | Very high | 87 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 175.5 | -179.4 | 60.8 | 0 | 0 | 0 | 111.5 | A20 E21 A27 A28 Y43 Y46 Y65 | A20-L24 WeakPolarHBondContact O-CB 3.5Å; A20-L24 PolarHBondContact O-N 2.74Å; E21-L24 PolarHBondContact O-N 3.18Å; L24-A27 PolarHBondContact O-N 2.75Å; L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.1Å; L24-A28 PolarHBondContact O-N 3.16Å; L24-Y43 HydrophobicContact CD1-CD1 4.45Å; L24-Y43 HydrophobicContact CD1-CE1 3.77Å; L24-Y46 HydrophobicContact CB-CD2 3.98Å; L24-Y46 HydrophobicContact CB-CE2 3.79Å; L24-Y46 HydrophobicContact CD2-CE2 4.32Å; L24-Y46 HydrophobicContact CG-CE2 4.44Å; L24-Y65 HydrophobicContact CD1-CD2 3.97Å; L24-Y65 HydrophobicContact CD1-CE2 3.53Å |
| 25 | T | 91.6 | Very high | 86.8 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.6 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | L6 E21 L22 T23 A28 I29 | L6-T25 HydrophobicContact CD1-CG2 4.04Å; E21-T25 WeakPolarHBondContact O-CB 3.23Å; E21-T25 PolarHBondContact O-N 2.64Å; E21-T25 PolarHBondContact O-OG1 3.22Å; L22-T25 PolarHBondContact O-N 3.16Å; T23-T25 VanDerWaalsContact C-N 3.33Å; T23-T25 PolarHBondContact O-N 3.42Å; T25-A28 PolarHBondContact O-N 3.45Å; T25-I29 HydrophobicContact CG2-CD1 4.14Å; T25-I29 WeakPolarHBondContact O-CD1 3.47Å; T25-I29 VanDerWaalsContact O-CG1 3.25Å; T25-I29 WeakPolarHBondContact O-CG1 3.35Å; T25-I29 PolarHBondContact O-N 3.34Å |
| 26 | I | 91.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.6 | -67.7 | 160.2 | 0 | 0 | 0 | 110.5 | V3 L6 I7 L22 T23 A28 I29 Y30 E42 | V3-I26 HydrophobicContact CG1-CG2 4.05Å; L6-I26 HydrophobicContact CB-CD1 4.06Å; L6-I26 HydrophobicContact CB-CG1 3.71Å; L6-I26 HydrophobicContact CD1-CG1 4.32Å; I7-I26 HydrophobicContact CG1-CD1 3.84Å; I7-I26 HydrophobicContact CG1-CG1 4.48Å; L22-I26 WeakPolarHBondContact O-CD1 3.5Å; L22-I26 VanDerWaalsContact O-CG1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.42Å; L22-I26 PolarHBondContact O-N 2.74Å; T23-I26 PolarHBondContact O-N 2.73Å; I26-A28 VanDerWaalsContact C-N 3.35Å; I26-A28 PolarHBondContact O-N 2.71Å; I26-I29 PolarHBondContact O-N 2.73Å; I26-Y30 HydrophobicContact CG2-CD2 3.74Å; I26-Y30 HydrophobicContact CG2-CE2 3.51Å; I26-Y30 WeakPolarHBondContact O-CD2 3.12Å; I26-Y30 PolarHBondContact O-N 3.4Å; I26-E42 HydrophobicContact CG2-CG 3.94Å |
| 27 | A | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T23 L24 Y30 S31 E42 Y43 | T23-A27 WeakPolarHBondContact O-CB 2.87Å; T23-A27 PolarHBondContact O-N 3.07Å; L24-A27 PolarHBondContact O-N 2.75Å; A27-Y30 PolarHBondContact O-N 2.95Å; A27-S31 WeakPolarHBondContact O-CB 3.35Å; A27-S31 PolarHBondContact O-N 2.85Å; A27-E42 HydrophobicContact CB-CB 3.7Å; A27-Y43 HydrophobicContact CB-CD1 3.62Å; A27-Y43 HydrophobicContact CB-CD2 4.02Å; A27-Y43 HydrophobicContact CB-CE1 3.5Å; A27-Y43 VanDerWaalsContact CB-CE1 3.5Å; A27-Y43 HydrophobicContact CB-CE2 3.9Å; A27-Y43 HydrophobicContact CB-CG 3.88Å |
| 28 | A | 86.4 | Confident | 86.6 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L24 T25 I26 S31 E32 | L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.1Å; L24-A28 PolarHBondContact O-N 3.16Å; T25-A28 PolarHBondContact O-N 3.45Å; I26-A28 VanDerWaalsContact C-N 3.35Å; I26-A28 PolarHBondContact O-N 2.71Å; A28-S31 CarbonylContact O-C 3.48Å; A28-S31 PolarHBondContact O-N 3.07Å; A28-E32 WeakPolarHBondContact O-CB 3.4Å; A28-E32 VanDerWaalsContact O-CG 3.31Å; A28-E32 WeakPolarHBondContact O-CG 3.32Å; A28-E32 PolarHBondContact O-N 3.24Å |
| 29 | I | 84.7 | Confident | 86.6 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 176.2 | -67.1 | 163.4 | 0 | 0 | 0 | 111.2 | M1 V3 L6 T25 I26 S31 E32 Q33 | M1-I29 HydrophobicContact CB-CD1 4.15Å; V3-I29 HydrophobicContact CG2-CB 4.26Å; V3-I29 HydrophobicContact CG2-CD1 4.47Å; V3-I29 HydrophobicContact CG2-CG2 3.47Å; V3-I29 VanDerWaalsContact CG2-CG2 3.47Å; L6-I29 HydrophobicContact CD1-CD1 3.45Å; L6-I29 VanDerWaalsContact CD1-CD1 3.45Å; T25-I29 HydrophobicContact CG2-CD1 4.14Å; T25-I29 WeakPolarHBondContact O-CD1 3.47Å; T25-I29 VanDerWaalsContact O-CG1 3.25Å; T25-I29 WeakPolarHBondContact O-CG1 3.35Å; T25-I29 PolarHBondContact O-N 3.34Å; I26-I29 PolarHBondContact O-N 2.73Å; I29-S31 VanDerWaalsContact C-N 3.29Å; I29-S31 PolarHBondContact O-N 2.85Å; I29-E32 PolarHBondContact O-N 3.22Å; I29-Q33 HydrophobicContact CG2-CG 4.45Å; I29-Q33 WeakPolarHBondContact O-CB 2.87Å; I29-Q33 VanDerWaalsContact O-CG 3.25Å; I29-Q33 WeakPolarHBondContact O-CG 3.35Å; I29-Q33 PolarHBondContact O-N 3.15Å |
| 30 | Y | 87.5 | Confident | 86.6 | Confident | 51 Ų | 51 | 38.4 Ų | 38.4 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 175.8 | -79.3 | -50.1 | 0 | 0 | 0 | 112.1 | V3 I26 A27 Q33 G34 S35 E42 | V3-Y30 HydrophobicContact CG1-CE1 4.33Å; V3-Y30 HydrophobicContact CG1-CE2 4.15Å; I26-Y30 HydrophobicContact CG2-CD2 3.74Å; I26-Y30 HydrophobicContact CG2-CE2 3.51Å; I26-Y30 WeakPolarHBondContact O-CD2 3.12Å; I26-Y30 PolarHBondContact O-N 3.4Å; A27-Y30 PolarHBondContact O-N 2.95Å; Y30-Q33 CarbonylContact O-C 3.54Å; Y30-Q33 PolarHBondContact O-N 2.68Å; Y30-G34 CarbonylContact O-C 3.6Å; Y30-G34 WeakPolarHBondContact O-CA 3.46Å; Y30-G34 PolarHBondContact O-N 2.79Å; Y30-G34 VanDerWaalsContact O-N 3.07Å; Y30-S35 PolarHBondContact O-N 3.16Å; Y30-E42 HydrophobicContact CD2-CG 4.01Å; Y30-E42 HydrophobicContact CE2-CG 4.03Å |
| 31 | S | 77.2 | Confident | 86.7 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 26% | 0.259 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.9 | -33.6 | 177 | -168.9 | 0 | 0 | 0 | 0 | 112.7 | A27 A28 I29 Q33 G34 | A27-S31 WeakPolarHBondContact O-CB 3.35Å; A27-S31 PolarHBondContact O-N 2.85Å; A28-S31 CarbonylContact O-C 3.48Å; A28-S31 PolarHBondContact O-N 3.07Å; I29-S31 VanDerWaalsContact C-N 3.29Å; I29-S31 PolarHBondContact O-N 2.85Å; S31-Q33 VanDerWaalsContact C-N 3.35Å; S31-G34 VanDerWaalsContact O-CA 3.24Å; S31-G34 WeakPolarHBondContact O-CA 3.34Å; S31-G34 PolarHBondContact O-N 3.48Å |
| 32 | E | 75.8 | Confident | 86.9 | Confident | 141 Ų | 141 | 37.6 Ų | 37.6 | 66% | 0.659 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -72.5 | -29.7 | 174.7 | -77 | 174 | -175.4 | 0 | 0 | 111.8 | A28 I29 G34 D659 | A28-E32 WeakPolarHBondContact O-CB 3.4Å; A28-E32 VanDerWaalsContact O-CG 3.31Å; A28-E32 WeakPolarHBondContact O-CG 3.32Å; A28-E32 PolarHBondContact O-N 3.24Å; I29-E32 PolarHBondContact O-N 3.22Å; E32-G34 PolarHBondContact O-N 2.62Å; E32-D659 VanDerWaalsContact O-O 3.13Å |
| 33 | Q | 79.9 | Confident | 87 | Confident | 98 Ų | 98 | 37.1 Ų | 37.1 | 46% | 0.458 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.2 | 167.3 | -65.3 | 169.2 | -6.2 | 0 | 0 | 112.2 | I29 Y30 S31 S35 | I29-Q33 HydrophobicContact CG2-CG 4.45Å; I29-Q33 WeakPolarHBondContact O-CB 2.87Å; I29-Q33 VanDerWaalsContact O-CG 3.25Å; I29-Q33 WeakPolarHBondContact O-CG 3.35Å; I29-Q33 PolarHBondContact O-N 3.15Å; Y30-Q33 CarbonylContact O-C 3.54Å; Y30-Q33 PolarHBondContact O-N 2.68Å; S31-Q33 VanDerWaalsContact C-N 3.35Å; Q33-S35 PolarHBondContact O-N 2.92Å |
| 34 | G | 71.5 | Confident | 87.2 | Confident | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 33 | 36.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y30 S31 E32 H36 G661 | Y30-G34 CarbonylContact O-C 3.6Å; Y30-G34 WeakPolarHBondContact O-CA 3.46Å; Y30-G34 PolarHBondContact O-N 2.79Å; Y30-G34 VanDerWaalsContact O-N 3.07Å; S31-G34 VanDerWaalsContact O-CA 3.24Å; S31-G34 WeakPolarHBondContact O-CA 3.34Å; S31-G34 PolarHBondContact O-N 3.48Å; E32-G34 PolarHBondContact O-N 2.62Å; G34-H36 PolarHBondContact O-CD2 2.96Å; G34-H36 PolarHBondContact O-N 3.35Å; G34-G661 VanDerWaalsContact C-CA 3.42Å; G34-G661 CarbonylContact O-C 3.55Å; G34-G661 VanDerWaalsContact O-CA 3.27Å; G34-G661 WeakPolarHBondContact O-CA 3.3Å; G34-G661 VanDerWaalsContact O-O 3.08Å |
| 35 | S | 82.5 | Confident | 87.2 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | trans | -71.7 | 69.2 | 154.7 | -169.5 | 0 | 0 | 0 | 0 | 108.9 | Y30 Q33 D37 S38 A39 | Y30-S35 PolarHBondContact O-N 3.16Å; Q33-S35 PolarHBondContact O-N 2.92Å; S35-D37 VanDerWaalsContact C-N 3.27Å; S35-D37 PolarHBondContact O-N 3.23Å; S35-S38 PolarHBondContact O-N 3.06Å; S35-S38 VanDerWaalsContact O-N 3.13Å; S35-S38 WeakPolarHBondContact OG-CB 3.46Å; S35-S38 PolarHBondContact OG-OG 3.01Å; S35-A39 PolarHBondContact O-N 3.38Å | ||
| 36 | H | 85.8 | Confident | 87.4 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -31.1 | -172.5 | -61.7 | -60.9 | 0 | 0 | 0 | 112.5 | G34 A39 L40 M73 | G34-H36 PolarHBondContact O-CD2 2.96Å; G34-H36 PolarHBondContact O-N 3.35Å; H36-A39 PolarHBondContact O-N 3.19Å; H36-L40 WeakPolarHBondContact O-CB 3.31Å; H36-L40 PolarHBondContact O-N 3.45Å; H36-M73 HydrophobicContact CB-CG 3.79Å; H36-M73 HydrophobicContact CB-SD 4.21Å |
| 37 | D | 85.5 | Confident | 87.5 | Confident | 88 Ų | 88 | 41.2 Ų | 41.2 | 47% | 0.471 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 172.6 | -66 | -60 | 0 | 0 | 0 | 111.6 | S35 L40 V41 M73 | S35-D37 VanDerWaalsContact C-N 3.27Å; S35-D37 PolarHBondContact O-N 3.23Å; D37-L40 PolarHBondContact O-N 2.94Å; D37-V41 WeakPolarHBondContact O-CG2 3.13Å; D37-V41 PolarHBondContact O-N 3.47Å; D37-V41 VanDerWaalsContact O-N 3.11Å; D37-M73 VanDerWaalsContact OD1-SD 3.37Å |
| 38 | S | 89.2 | Confident | 87.7 | Confident | 41 Ų | 41 | 47 Ų | 47 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.1 | -41.9 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | S35 L40 V41 E42 | S35-S38 PolarHBondContact O-N 3.06Å; S35-S38 VanDerWaalsContact O-N 3.13Å; S35-S38 WeakPolarHBondContact OG-CB 3.46Å; S35-S38 PolarHBondContact OG-OG 3.01Å; S38-L40 VanDerWaalsContact C-N 3.28Å; S38-L40 PolarHBondContact O-N 3.19Å; S38-V41 PolarHBondContact O-N 3.29Å; S38-E42 WeakPolarHBondContact O-CG 3.47Å; S38-E42 PolarHBondContact O-N 3.34Å; S38-E42 VanDerWaalsContact O-N 3.14Å |
| 39 | A | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | S35 H36 E42 Y43 | S35-A39 PolarHBondContact O-N 3.38Å; H36-A39 PolarHBondContact O-N 3.19Å; A39-E42 CarbonylContact O-C 3.58Å; A39-E42 PolarHBondContact O-N 2.97Å; A39-E42 VanDerWaalsContact O-N 3.15Å; A39-Y43 HydrophobicContact CB-CD2 4.2Å; A39-Y43 HydrophobicContact CB-CE2 4.03Å; A39-Y43 WeakPolarHBondContact O-CB 3.36Å; A39-Y43 WeakPolarHBondContact O-CD2 3.28Å; A39-Y43 PolarHBondContact O-N 3.38Å |
| 40 | L | 90.8 | Very high | 88.4 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | -179.7 | -171.4 | 153.7 | 0 | 0 | 0 | 112.2 | H36 D37 S38 E42 Y43 K44 L66 C69 Y70 M73 | H36-L40 WeakPolarHBondContact O-CB 3.31Å; H36-L40 PolarHBondContact O-N 3.45Å; D37-L40 PolarHBondContact O-N 2.94Å; S38-L40 VanDerWaalsContact C-N 3.28Å; S38-L40 PolarHBondContact O-N 3.19Å; L40-E42 VanDerWaalsContact C-N 3.28Å; L40-E42 PolarHBondContact O-N 3.36Å; L40-Y43 PolarHBondContact O-N 3.3Å; L40-K44 HydrophobicContact CD2-CD 3.79Å; L40-K44 HydrophobicContact CD2-CG 4.3Å; L40-K44 WeakPolarHBondContact O-CB 3.46Å; L40-K44 WeakPolarHBondContact O-CG 3.42Å; L40-K44 PolarHBondContact O-N 3.3Å; L40-L66 HydrophobicContact CG-CD2 4.09Å; L40-C69 HydrophobicContact CB-CB 4.48Å; L40-C69 HydrophobicContact CD1-CB 4.41Å; L40-Y70 HydrophobicContact CD1-CD1 3.96Å; L40-Y70 HydrophobicContact CD1-CD2 4.25Å; L40-Y70 HydrophobicContact CD1-CE1 3.63Å; L40-Y70 HydrophobicContact CD1-CE2 3.88Å; L40-Y70 HydrophobicContact CD1-CG 4.28Å; L40-Y70 HydrophobicContact CG-CE2 4.48Å; L40-M73 HydrophobicContact CD1-CE 3.22Å; L40-M73 HydrophobicContact CD1-SD 4.01Å |
| 41 | V | 93.2 | Very high | 88.7 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 170.7 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | D37 S38 K44 K45 | D37-V41 WeakPolarHBondContact O-CG2 3.13Å; D37-V41 PolarHBondContact O-N 3.47Å; D37-V41 VanDerWaalsContact O-N 3.11Å; S38-V41 PolarHBondContact O-N 3.29Å; V41-K44 PolarHBondContact O-N 3.01Å; V41-K45 WeakPolarHBondContact O-CG 3.37Å; V41-K45 PolarHBondContact O-N 3.37Å; V41-K45 VanDerWaalsContact O-N 3.11Å |
| 42 | E | 94.2 | Very high | 89.4 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.1 | -34.8 | -178.9 | -65.5 | -65.9 | 141.1 | 0 | 0 | 112.6 | R10 T23 I26 A27 Y30 S38 A39 L40 K45 Y46 | R10-E42 IonicContact CZ-OE2 2.61Å; R10-E42 IonicContact NH1-OE2 2.75Å; R10-E42 PolarHBondContact NH1-OE2 3.39Å; R10-E42 IonicContact NH2-OE1 2.69Å; R10-E42 PolarHBondContact NH2-OE1 3.18Å; R10-E42 IonicContact NH2-OE2 3.21Å; R10-E42 PolarHBondContact NH2-OE2 3.18Å; T23-E42 WeakPolarHBondContact CG2-O 3.31Å; I26-E42 HydrophobicContact CG2-CG 3.94Å; A27-E42 HydrophobicContact CB-CB 3.7Å; Y30-E42 HydrophobicContact CD2-CG 4.01Å; Y30-E42 HydrophobicContact CE2-CG 4.03Å; S38-E42 WeakPolarHBondContact O-CG 3.47Å; S38-E42 PolarHBondContact O-N 3.34Å; S38-E42 VanDerWaalsContact O-N 3.14Å; A39-E42 CarbonylContact O-C 3.58Å; A39-E42 PolarHBondContact O-N 2.97Å; A39-E42 VanDerWaalsContact O-N 3.15Å; L40-E42 VanDerWaalsContact C-N 3.28Å; L40-E42 PolarHBondContact O-N 3.36Å; E42-K45 PolarHBondContact O-N 3.5Å; E42-K45 IonicContact OE1-NZ 2.94Å; E42-K45 PolarHBondContact OE1-NZ 3.03Å; E42-Y46 WeakPolarHBondContact O-CB 3.18Å; E42-Y46 PolarHBondContact O-N 2.84Å |
| 43 | Y | 95.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69 | -33.7 | 172 | -74.7 | -54.8 | 0 | 0 | 0 | 112.7 | L24 A27 A39 L40 Y46 L47 Y65 C69 | L24-Y43 HydrophobicContact CD1-CD1 4.45Å; L24-Y43 HydrophobicContact CD1-CE1 3.77Å; A27-Y43 HydrophobicContact CB-CD1 3.62Å; A27-Y43 HydrophobicContact CB-CD2 4.02Å; A27-Y43 HydrophobicContact CB-CE1 3.5Å; A27-Y43 VanDerWaalsContact CB-CE1 3.5Å; A27-Y43 HydrophobicContact CB-CE2 3.9Å; A27-Y43 HydrophobicContact CB-CG 3.88Å; A39-Y43 HydrophobicContact CB-CD2 4.2Å; A39-Y43 HydrophobicContact CB-CE2 4.03Å; A39-Y43 WeakPolarHBondContact O-CB 3.36Å; A39-Y43 WeakPolarHBondContact O-CD2 3.28Å; A39-Y43 PolarHBondContact O-N 3.38Å; L40-Y43 PolarHBondContact O-N 3.3Å; Y43-Y46 WeakPolarHBondContact O-CB 3.19Å; Y43-Y46 PolarHBondContact O-N 3.48Å; Y43-L47 PolarHBondContact O-N 3.48Å; Y43-Y65 VanDerWaalsContact CD1-CB 3.48Å; Y43-Y65 HydrophobicContact CD1-CD2 4.1Å; Y43-Y65 AromaticContact CD1-CG 3.96Å; Y43-Y65 HydrophobicContact CD1-CG 3.96Å; Y43-Y65 VanDerWaalsContact CE1-CB 3.41Å; Y43-Y65 HydrophobicContact CE1-CD1 4.01Å; Y43-Y65 AromaticContact CE1-CD2 3.79Å; Y43-Y65 HydrophobicContact CE1-CD2 3.79Å; Y43-Y65 AromaticContact CE1-CG 3.5Å; Y43-Y65 HydrophobicContact CE1-CG 3.5Å; Y43-Y65 VanDerWaalsContact CE1-CG 3.5Å; Y43-Y65 AromaticContact CZ-CG 3.98Å; Y43-C69 WeakPolarHBondContact CD2-SG 3.29Å; Y43-C69 WeakPolarHBondContact CE2-SG 3.35Å |
| 44 | K | 95.5 | Very high | 90.6 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 170.5 | -77.8 | 180 | 177.2 | 170.1 | 0 | 111.1 | L40 V41 Y46 L47 E48 L66 Y70 | L40-K44 HydrophobicContact CD2-CD 3.79Å; L40-K44 HydrophobicContact CD2-CG 4.3Å; L40-K44 WeakPolarHBondContact O-CB 3.46Å; L40-K44 WeakPolarHBondContact O-CG 3.42Å; L40-K44 PolarHBondContact O-N 3.3Å; V41-K44 PolarHBondContact O-N 3.01Å; K44-Y46 VanDerWaalsContact C-N 3.29Å; K44-Y46 PolarHBondContact O-N 3.37Å; K44-L47 WeakPolarHBondContact O-CB 3.39Å; K44-L47 PolarHBondContact O-N 3.06Å; K44-L47 VanDerWaalsContact O-N 3.15Å; K44-E48 WeakPolarHBondContact O-CG 3.31Å; K44-E48 PolarHBondContact O-N 2.73Å; K44-L66 HydrophobicContact CG-CD1 4.46Å; K44-L66 HydrophobicContact CG-CD2 3.82Å; K44-Y70 PolarHBondContact NZ-OH 2.92Å |
| 45 | K | 93.9 | Very high | 91.5 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 172.2 | -69.1 | 172.4 | -169.7 | 168.5 | 0 | 112.1 | T23 V41 E42 E48 V49 | T23-K45 HydrophobicContact CG2-CB 4.16Å; V41-K45 WeakPolarHBondContact O-CG 3.37Å; V41-K45 PolarHBondContact O-N 3.37Å; V41-K45 VanDerWaalsContact O-N 3.11Å; E42-K45 PolarHBondContact O-N 3.5Å; E42-K45 IonicContact OE1-NZ 2.94Å; E42-K45 PolarHBondContact OE1-NZ 3.03Å; K45-E48 PolarHBondContact O-N 3.38Å; K45-V49 VanDerWaalsContact O-CG2 3.31Å; K45-V49 WeakPolarHBondContact O-CG2 3.14Å; K45-V49 PolarHBondContact O-N 3.35Å; K45-V49 VanDerWaalsContact O-N 3.07Å |
| 46 | Y | 94.7 | Very high | 92.1 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.5 | 179 | -103.6 | 0 | 0 | 0 | 111.5 | A20 L24 E42 Y43 K44 V49 W50 Q58 A62 | A20-Y46 HydrophobicContact CB-CD2 4.19Å; A20-Y46 HydrophobicContact CB-CE2 4.04Å; A20-Y46 WeakPolarHBondContact O-CD2 3.11Å; L24-Y46 HydrophobicContact CB-CD2 3.98Å; L24-Y46 HydrophobicContact CB-CE2 3.79Å; L24-Y46 HydrophobicContact CD2-CE2 4.32Å; L24-Y46 HydrophobicContact CG-CE2 4.44Å; E42-Y46 WeakPolarHBondContact O-CB 3.18Å; E42-Y46 PolarHBondContact O-N 2.84Å; Y43-Y46 WeakPolarHBondContact O-CB 3.19Å; Y43-Y46 PolarHBondContact O-N 3.48Å; K44-Y46 VanDerWaalsContact C-N 3.29Å; K44-Y46 PolarHBondContact O-N 3.37Å; Y46-V49 PolarHBondContact O-N 2.54Å; Y46-W50 AromaticContact CD2-NE1 3.65Å; Y46-W50 AromaticContact CE1-CD1 3.77Å; Y46-W50 AromaticContact CE1-NE1 3.75Å; Y46-W50 AromaticContact CE2-CD1 3.81Å; Y46-W50 AromaticContact CE2-NE1 3.05Å; Y46-W50 AromaticContact CZ-CD1 3.64Å; Y46-W50 AromaticContact CZ-NE1 3.11Å; Y46-W50 PolarHBondContact O-N 3.41Å; Y46-W50 PolarHBondContact OH-NE1 3.06Å; Y46-Q58 PolarHBondContact OH-OE1 3.45Å; Y46-A62 HydrophobicContact CD1-CB 3.52Å; Y46-A62 HydrophobicContact CE1-CB 3.73Å |
| 47 | L | 94.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 173.8 | 178 | 62.5 | 0 | 0 | 0 | 111.4 | Y43 K44 V49 W50 E51 C59 A62 L66 | Y43-L47 PolarHBondContact O-N 3.48Å; K44-L47 WeakPolarHBondContact O-CB 3.39Å; K44-L47 PolarHBondContact O-N 3.06Å; K44-L47 VanDerWaalsContact O-N 3.15Å; L47-V49 VanDerWaalsContact C-N 3.28Å; L47-V49 PolarHBondContact O-N 3.31Å; L47-W50 PolarHBondContact O-N 3.23Å; L47-E51 HydrophobicContact CD1-CG 3.94Å; L47-E51 HydrophobicContact CG-CG 4.12Å; L47-E51 WeakPolarHBondContact O-CG 3.29Å; L47-E51 PolarHBondContact O-N 3.27Å; L47-C59 HydrophobicContact CD1-CB 3.93Å; L47-A62 HydrophobicContact CB-CB 3.9Å; L47-A62 HydrophobicContact CD1-CB 3.82Å; L47-A62 HydrophobicContact CG-CB 4.46Å; L47-L66 HydrophobicContact CD2-CD1 3.86Å |
| 48 | E | 93.9 | Very high | 92.6 | Very high | 121 Ų | 121 | 58.4 Ų | 58.4 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56 | -40.5 | 178.9 | -72.8 | 169.3 | -169.5 | 0 | 0 | 112.5 | K44 K45 W50 E51 S52 | K44-E48 WeakPolarHBondContact O-CG 3.31Å; K44-E48 PolarHBondContact O-N 2.73Å; K45-E48 PolarHBondContact O-N 3.38Å; E48-W50 VanDerWaalsContact C-N 3.32Å; E48-W50 PolarHBondContact O-N 3.11Å; E48-E51 PolarHBondContact O-N 3.32Å; E48-S52 WeakPolarHBondContact O-CB 3.41Å; E48-S52 PolarHBondContact O-N 3.47Å |
| 49 | V | 91.7 | Very high | 92.9 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | A20 K45 Y46 L47 S52 | A20-V49 HydrophobicContact CB-CG1 3.95Å; K45-V49 VanDerWaalsContact O-CG2 3.31Å; K45-V49 WeakPolarHBondContact O-CG2 3.14Å; K45-V49 PolarHBondContact O-N 3.35Å; K45-V49 VanDerWaalsContact O-N 3.07Å; Y46-V49 PolarHBondContact O-N 2.54Å; L47-V49 VanDerWaalsContact C-N 3.28Å; L47-V49 PolarHBondContact O-N 3.31Å; V49-S52 PolarHBondContact O-OG 3.41Å |
| 50 | W | 93.5 | Very high | 93 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -81.5 | -30.6 | -179.2 | -65.9 | 117.5 | 0 | 0 | 0 | 113.7 | K17 A20 Y46 L47 E48 S52 K53 E54 D55 Q58 | K17-W50 HydrophobicContact CG-CH2 4.4Å; A20-W50 HydrophobicContact CB-CH2 4.32Å; A20-W50 HydrophobicContact CB-CZ2 3.43Å; A20-W50 VanDerWaalsContact CB-CZ2 3.43Å; Y46-W50 AromaticContact CD2-NE1 3.65Å; Y46-W50 AromaticContact CE1-CD1 3.77Å; Y46-W50 AromaticContact CE1-NE1 3.75Å; Y46-W50 AromaticContact CE2-CD1 3.81Å; Y46-W50 AromaticContact CE2-NE1 3.05Å; Y46-W50 AromaticContact CZ-CD1 3.64Å; Y46-W50 AromaticContact CZ-NE1 3.11Å; Y46-W50 PolarHBondContact O-N 3.41Å; Y46-W50 PolarHBondContact OH-NE1 3.06Å; L47-W50 PolarHBondContact O-N 3.23Å; E48-W50 VanDerWaalsContact C-N 3.32Å; E48-W50 PolarHBondContact O-N 3.11Å; W50-S52 VanDerWaalsContact C-N 3.3Å; W50-S52 PolarHBondContact O-N 3.14Å; W50-K53 HydrophobicContact CE3-CB 4.34Å; W50-K53 CarbonylContact O-C 3.52Å; W50-K53 PolarHBondContact O-N 3.37Å; W50-E54 PolarHBondContact O-N 3.08Å; W50-D55 HydrophobicContact CE3-CB 3.96Å; W50-D55 PolarHBondContact O-N 3.48Å; W50-Q58 HydrophobicContact CB-CB 3.86Å; W50-Q58 HydrophobicContact CD2-CB 3.42Å; W50-Q58 VanDerWaalsContact CD2-CB 3.42Å; W50-Q58 HydrophobicContact CD2-CG 3.81Å; W50-Q58 HydrophobicContact CE3-CB 3.91Å; W50-Q58 HydrophobicContact CE3-CG 3.94Å; W50-Q58 HydrophobicContact CG-CB 3.37Å; W50-Q58 HydrophobicContact CG-CG 4.3Å; W50-Q58 HydrophobicContact CH2-CG 4.31Å; W50-Q58 HydrophobicContact CZ2-CG 4.18Å; W50-Q58 HydrophobicContact CZ3-CG 4.19Å |
| 51 | E | 93.7 | Very high | 93 | Very high | 93 Ų | 93 | 57 Ų | 57 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 170.3 | -73.7 | -177.4 | 155.4 | 0 | 0 | 110.5 | L47 E48 K53 E54 C59 | L47-E51 HydrophobicContact CD1-CG 3.94Å; L47-E51 HydrophobicContact CG-CG 4.12Å; L47-E51 WeakPolarHBondContact O-CG 3.29Å; L47-E51 PolarHBondContact O-N 3.27Å; E48-E51 PolarHBondContact O-N 3.32Å; E51-K53 PolarHBondContact O-N 2.79Å; E51-K53 VanDerWaalsContact O-N 3.16Å; E51-E54 PolarHBondContact O-N 3.49Å; E51-C59 PolarHBondContact N-SG 3.19Å; E51-C59 VanDerWaalsContact N-SG 3.41Å |
| 52 | S | 91.7 | Very high | 93 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.8 | 174.3 | 80.6 | 0 | 0 | 0 | 0 | 114.4 | E48 V49 W50 | E48-S52 WeakPolarHBondContact O-CB 3.41Å; E48-S52 PolarHBondContact O-N 3.47Å; V49-S52 PolarHBondContact O-OG 3.41Å; W50-S52 VanDerWaalsContact C-N 3.3Å; W50-S52 PolarHBondContact O-N 3.14Å |
| 53 | K | 90.5 | Very high | 93 | Very high | 116 Ų | 116 | 53.2 Ų | 53.2 | 50% | 0.504 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -3.1 | 176.1 | -70.2 | -65.5 | -178.3 | -173.6 | 0 | 113.2 | T16 W50 E51 D55 | T16-K53 WeakPolarHBondContact OG1-CE 3.24Å; W50-K53 HydrophobicContact CE3-CB 4.34Å; W50-K53 CarbonylContact O-C 3.52Å; W50-K53 PolarHBondContact O-N 3.37Å; E51-K53 PolarHBondContact O-N 2.79Å; E51-K53 VanDerWaalsContact O-N 3.16Å; K53-D55 PolarHBondContact O-N 3.33Å |
| 54 | E | 89.9 | Confident | 93 | Very high | 169 Ų | 169 | 54.8 Ų | 54.8 | 79% | 0.79 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 28 | -174.8 | -56.8 | 180 | 175.6 | 0 | 0 | 113 | W50 E51 N56 | W50-E54 PolarHBondContact O-N 3.08Å; E51-E54 PolarHBondContact O-N 3.49Å; E54-N56 PolarHBondContact O-N 3.04Å; E54-N56 VanDerWaalsContact O-N 3.13Å |
| 55 | D | 91.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | trans | -84.8 | 87.5 | 177.2 | -170.5 | -28.6 | 0 | 0 | 0 | 110.1 | W50 K53 L57 Q58 C59 | W50-D55 HydrophobicContact CE3-CB 3.96Å; W50-D55 PolarHBondContact O-N 3.48Å; K53-D55 PolarHBondContact O-N 3.33Å; D55-L57 PolarHBondContact O-N 2.71Å; D55-L57 VanDerWaalsContact O-N 3.13Å; D55-L57 WeakPolarHBondContact OD1-CB 3.32Å; D55-L57 PolarHBondContact OD1-N 3.07Å; D55-L57 VanDerWaalsContact OD1-N 3.09Å; D55-Q58 HydrophobicContact CB-CB 4.25Å; D55-Q58 HydrophobicContact CB-CG 4.35Å; D55-Q58 PolarHBondContact O-N 3.06Å; D55-Q58 PolarHBondContact OD1-N 3.21Å; D55-Q58 VanDerWaalsContact OD1-N 3.09Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.48Å; D55-C59 PolarHBondContact O-N 2.93Å; D55-C59 PolarHBondContact O-SG 2.98Å | ||
| 56 | N | 93.7 | Very high | 92.7 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.3 | -30 | -178.5 | -72.1 | -36.4 | 0 | 0 | 0 | 113.6 | E54 A60 L89 V93 | E54-N56 PolarHBondContact O-N 3.04Å; E54-N56 VanDerWaalsContact O-N 3.13Å; N56-A60 WeakPolarHBondContact O-CB 3.44Å; N56-A60 PolarHBondContact O-N 3.26Å; N56-L89 HydrophobicContact CB-CD2 4.4Å; N56-V93 HydrophobicContact CB-CG2 3.49Å; N56-V93 VanDerWaalsContact CB-CG2 3.49Å |
| 57 | L | 91.6 | Very high | 92.4 | Very high | 51 Ų | 51 | 49 Ų | 49 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72 | -46.2 | 179.6 | 179.6 | 63.2 | 0 | 0 | 0 | 110.7 | D55 C59 A60 V61 V93 N95 E98 | D55-L57 PolarHBondContact O-N 2.71Å; D55-L57 VanDerWaalsContact O-N 3.13Å; D55-L57 WeakPolarHBondContact OD1-CB 3.32Å; D55-L57 PolarHBondContact OD1-N 3.07Å; D55-L57 VanDerWaalsContact OD1-N 3.09Å; L57-C59 VanDerWaalsContact C-N 3.35Å; L57-A60 VanDerWaalsContact O-CB 3.3Å; L57-A60 WeakPolarHBondContact O-CB 3.43Å; L57-A60 PolarHBondContact O-N 3.36Å; L57-V61 WeakPolarHBondContact O-CG2 3.31Å; L57-V61 PolarHBondContact O-N 3.06Å; L57-V61 VanDerWaalsContact O-N 3.09Å; L57-V93 HydrophobicContact CB-CG1 4.31Å; L57-V93 HydrophobicContact CB-CG2 4.4Å; L57-V93 HydrophobicContact CD1-CG1 4.34Å; L57-N95 HydrophobicContact CD1-CB 4.4Å; L57-E98 HydrophobicContact CD1-CG 4.06Å |
| 58 | Q | 92.1 | Very high | 92 | Very high | 55 Ų | 55 | 50 Ų | 50 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.9 | -35 | 177.2 | -62.3 | -58.9 | -38.1 | 0 | 0 | 111.8 | Y46 W50 D55 A60 V61 A62 | Y46-Q58 PolarHBondContact OH-OE1 3.45Å; W50-Q58 HydrophobicContact CB-CB 3.86Å; W50-Q58 HydrophobicContact CD2-CB 3.42Å; W50-Q58 VanDerWaalsContact CD2-CB 3.42Å; W50-Q58 HydrophobicContact CD2-CG 3.81Å; W50-Q58 HydrophobicContact CE3-CB 3.91Å; W50-Q58 HydrophobicContact CE3-CG 3.94Å; W50-Q58 HydrophobicContact CG-CB 3.37Å; W50-Q58 HydrophobicContact CG-CG 4.3Å; W50-Q58 HydrophobicContact CH2-CG 4.31Å; W50-Q58 HydrophobicContact CZ2-CG 4.18Å; W50-Q58 HydrophobicContact CZ3-CG 4.19Å; D55-Q58 HydrophobicContact CB-CB 4.25Å; D55-Q58 HydrophobicContact CB-CG 4.35Å; D55-Q58 PolarHBondContact O-N 3.06Å; D55-Q58 PolarHBondContact OD1-N 3.21Å; D55-Q58 VanDerWaalsContact OD1-N 3.09Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.48Å; Q58-A60 VanDerWaalsContact C-N 3.29Å; Q58-A60 PolarHBondContact O-N 3.47Å; Q58-V61 PolarHBondContact O-N 2.98Å; Q58-A62 WeakPolarHBondContact O-CB 3.41Å; Q58-A62 PolarHBondContact O-N 3.47Å |
| 59 | C | 94 | Very high | 91.6 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -38 | 170.6 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | L47 E51 D55 L57 A62 N63 L89 | L47-C59 HydrophobicContact CD1-CB 3.93Å; E51-C59 PolarHBondContact N-SG 3.19Å; E51-C59 VanDerWaalsContact N-SG 3.41Å; D55-C59 PolarHBondContact O-N 2.93Å; D55-C59 PolarHBondContact O-SG 2.98Å; L57-C59 VanDerWaalsContact C-N 3.35Å; C59-A62 PolarHBondContact O-N 3.02Å; C59-N63 PolarHBondContact O-N 3.37Å; C59-N63 PolarHBondContact O-ND2 3.37Å; C59-L89 HydrophobicContact CB-CD1 3.8Å |
| 60 | A | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -51.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N56 L57 Q58 A62 N63 R64 Y86 L89 | N56-A60 WeakPolarHBondContact O-CB 3.44Å; N56-A60 PolarHBondContact O-N 3.26Å; L57-A60 VanDerWaalsContact O-CB 3.3Å; L57-A60 WeakPolarHBondContact O-CB 3.43Å; L57-A60 PolarHBondContact O-N 3.36Å; Q58-A60 VanDerWaalsContact C-N 3.29Å; Q58-A60 PolarHBondContact O-N 3.47Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 2.63Å; A60-N63 PolarHBondContact O-N 3.26Å; A60-R64 PolarHBondContact O-N 2.72Å; A60-Y86 VanDerWaalsContact C-CD2 3.41Å; A60-Y86 HydrophobicContact CB-CD2 3.71Å; A60-Y86 HydrophobicContact CB-CE2 4.04Å; A60-Y86 WeakPolarHBondContact O-CD2 3.4Å; A60-L89 HydrophobicContact CB-CB 3.7Å; A60-L89 HydrophobicContact CB-CD1 4.45Å |
| 61 | V | 90.7 | Very high | 90.8 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 178.2 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | L57 Q58 R64 Y65 | L57-V61 WeakPolarHBondContact O-CG2 3.31Å; L57-V61 PolarHBondContact O-N 3.06Å; L57-V61 VanDerWaalsContact O-N 3.09Å; Q58-V61 PolarHBondContact O-N 2.98Å; V61-R64 WeakPolarHBondContact O-CB 3.38Å; V61-R64 PolarHBondContact O-N 3.33Å; V61-Y65 HydrophobicContact CG1-CD2 4.13Å; V61-Y65 HydrophobicContact CG1-CE2 3.49Å; V61-Y65 VanDerWaalsContact CG1-CE2 3.49Å; V61-Y65 VanDerWaalsContact O-CD2 3.23Å; V61-Y65 WeakPolarHBondContact O-CD2 3.33Å; V61-Y65 PolarHBondContact O-N 3.01Å |
| 62 | A | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y46 L47 Q58 C59 A60 R64 Y65 L66 | Y46-A62 HydrophobicContact CD1-CB 3.52Å; Y46-A62 HydrophobicContact CE1-CB 3.73Å; L47-A62 HydrophobicContact CB-CB 3.9Å; L47-A62 HydrophobicContact CD1-CB 3.82Å; L47-A62 HydrophobicContact CG-CB 4.46Å; Q58-A62 WeakPolarHBondContact O-CB 3.41Å; Q58-A62 PolarHBondContact O-N 3.47Å; C59-A62 PolarHBondContact O-N 3.02Å; A60-A62 VanDerWaalsContact C-N 3.32Å; A60-A62 PolarHBondContact O-N 2.63Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 2.72Å; A62-Y65 PolarHBondContact O-N 2.73Å; A62-L66 PolarHBondContact O-N 3.24Å |
| 63 | N | 95.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -33.1 | 175 | -84.9 | -83.2 | 0 | 0 | 0 | 112.6 | C59 A60 L66 A67 H82 R85 | C59-N63 PolarHBondContact O-N 3.37Å; C59-N63 PolarHBondContact O-ND2 3.37Å; A60-N63 PolarHBondContact O-N 3.26Å; N63-L66 PolarHBondContact O-N 3.15Å; N63-A67 WeakPolarHBondContact O-CB 3.42Å; N63-A67 PolarHBondContact O-N 3.06Å; N63-H82 PolarHBondContact OD1-ND1 3.07Å; N63-R85 WeakPolarHBondContact OD1-CG 3.49Å |
| 64 | R | 94 | Very high | 89.1 | Confident | 45 Ų | 45 | 33.5 Ų | 33.5 | 17% | 0.17 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 171.9 | -173.9 | -175.8 | 65.1 | 81.7 | 1.3 | 111.7 | A60 V61 A62 A67 E68 Y86 | A60-R64 PolarHBondContact O-N 2.72Å; V61-R64 WeakPolarHBondContact O-CB 3.38Å; V61-R64 PolarHBondContact O-N 3.33Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 2.72Å; R64-A67 PolarHBondContact O-N 2.95Å; R64-E68 IonicContact CZ-OE1 2.72Å; R64-E68 IonicContact NH1-OE1 2.77Å; R64-E68 PolarHBondContact NH1-OE1 3.45Å; R64-E68 IonicContact NH1-OE2 3.16Å; R64-E68 PolarHBondContact NH1-OE2 2.92Å; R64-E68 PolarHBondContact O-N 3.46Å; R64-Y86 HydrophobicContact CB-CD1 3.79Å; R64-Y86 HydrophobicContact CB-CD2 4.36Å; R64-Y86 HydrophobicContact CB-CE1 3.74Å; R64-Y86 HydrophobicContact CB-CE2 4.32Å; R64-Y86 HydrophobicContact CB-CG 4.11Å; R64-Y86 HydrophobicContact CG-CD1 4.09Å; R64-Y86 HydrophobicContact CG-CE1 3.72Å |
| 65 | Y | 92 | Very high | 88.9 | Confident | 49 Ų | 49 | 28.4 Ų | 28.4 | 19% | 0.192 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 178.6 | -66.9 | -57.6 | 0 | 0 | 0 | 112.5 | L24 Y43 V61 A62 A67 E68 C69 | L24-Y65 HydrophobicContact CD1-CD2 3.97Å; L24-Y65 HydrophobicContact CD1-CE2 3.53Å; Y43-Y65 VanDerWaalsContact CD1-CB 3.48Å; Y43-Y65 HydrophobicContact CD1-CD2 4.1Å; Y43-Y65 AromaticContact CD1-CG 3.96Å; Y43-Y65 HydrophobicContact CD1-CG 3.96Å; Y43-Y65 VanDerWaalsContact CE1-CB 3.41Å; Y43-Y65 HydrophobicContact CE1-CD1 4.01Å; Y43-Y65 AromaticContact CE1-CD2 3.79Å; Y43-Y65 HydrophobicContact CE1-CD2 3.79Å; Y43-Y65 AromaticContact CE1-CG 3.5Å; Y43-Y65 HydrophobicContact CE1-CG 3.5Å; Y43-Y65 VanDerWaalsContact CE1-CG 3.5Å; Y43-Y65 AromaticContact CZ-CG 3.98Å; V61-Y65 HydrophobicContact CG1-CD2 4.13Å; V61-Y65 HydrophobicContact CG1-CE2 3.49Å; V61-Y65 VanDerWaalsContact CG1-CE2 3.49Å; V61-Y65 VanDerWaalsContact O-CD2 3.23Å; V61-Y65 WeakPolarHBondContact O-CD2 3.33Å; V61-Y65 PolarHBondContact O-N 3.01Å; A62-Y65 PolarHBondContact O-N 2.73Å; Y65-A67 VanDerWaalsContact C-N 3.33Å; Y65-A67 PolarHBondContact O-N 3.23Å; Y65-E68 PolarHBondContact O-N 3.27Å; Y65-C69 PolarHBondContact O-N 3.32Å |
| 66 | L | 92.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 173.5 | -71.9 | 169.7 | 0 | 0 | 0 | 111.4 | L40 K44 L47 A62 N63 E68 C69 Y70 H82 | L40-L66 HydrophobicContact CG-CD2 4.09Å; K44-L66 HydrophobicContact CG-CD1 4.46Å; K44-L66 HydrophobicContact CG-CD2 3.82Å; L47-L66 HydrophobicContact CD2-CD1 3.86Å; A62-L66 PolarHBondContact O-N 3.24Å; N63-L66 PolarHBondContact O-N 3.15Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 2.82Å; L66-C69 PolarHBondContact O-N 2.98Å; L66-Y70 WeakPolarHBondContact O-CD2 3.38Å; L66-Y70 PolarHBondContact O-N 2.88Å; L66-H82 HydrophobicContact CB-CB 4.32Å |
| 67 | A | 87.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | N63 R64 Y65 Y70 I71 H82 T83 T105 | N63-A67 WeakPolarHBondContact O-CB 3.42Å; N63-A67 PolarHBondContact O-N 3.06Å; R64-A67 PolarHBondContact O-N 2.95Å; Y65-A67 VanDerWaalsContact C-N 3.33Å; Y65-A67 PolarHBondContact O-N 3.23Å; A67-Y70 PolarHBondContact O-N 2.98Å; A67-I71 VanDerWaalsContact O-CG1 3.27Å; A67-I71 WeakPolarHBondContact O-CG1 3.49Å; A67-I71 PolarHBondContact O-N 2.97Å; A67-H82 HydrophobicContact CB-CB 4.03Å; A67-T83 VanDerWaalsContact CB-OG1 3.27Å; A67-T83 WeakPolarHBondContact CB-OG1 3.5Å; A67-T105 HydrophobicContact CB-CG2 4.4Å |
| 68 | E | 86 | Confident | 88.4 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 17% | 0.173 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.5 | -74.9 | 172.1 | -174.6 | 0 | 0 | 111.7 | R64 Y65 L66 Y70 I71 E72 | R64-E68 IonicContact CZ-OE1 2.72Å; R64-E68 IonicContact NH1-OE1 2.77Å; R64-E68 PolarHBondContact NH1-OE1 3.45Å; R64-E68 IonicContact NH1-OE2 3.16Å; R64-E68 PolarHBondContact NH1-OE2 2.92Å; R64-E68 PolarHBondContact O-N 3.46Å; Y65-E68 PolarHBondContact O-N 3.27Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-E68 PolarHBondContact O-N 2.82Å; E68-Y70 PolarHBondContact O-N 3.44Å; E68-I71 WeakPolarHBondContact O-CB 3.32Å; E68-I71 PolarHBondContact O-N 3.35Å; E68-E72 WeakPolarHBondContact O-CG 3.4Å; E68-E72 PolarHBondContact O-N 3.34Å; E68-E72 VanDerWaalsContact O-N 3.16Å |
| 69 | C | 86.1 | Confident | 88.3 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 174.1 | -69.7 | 0 | 0 | 0 | 0 | 112.8 | L40 Y43 Y65 L66 I71 E72 M73 | L40-C69 HydrophobicContact CB-CB 4.48Å; L40-C69 HydrophobicContact CD1-CB 4.41Å; Y43-C69 WeakPolarHBondContact CD2-SG 3.29Å; Y43-C69 WeakPolarHBondContact CE2-SG 3.35Å; Y65-C69 PolarHBondContact O-N 3.32Å; L66-C69 PolarHBondContact O-N 2.98Å; C69-I71 VanDerWaalsContact C-N 3.29Å; C69-I71 PolarHBondContact O-N 3.13Å; C69-E72 PolarHBondContact O-N 3.47Å; C69-M73 WeakPolarHBondContact O-CG 3.27Å; C69-M73 PolarHBondContact O-N 3.38Å |
| 70 | Y | 88.8 | Confident | 88.1 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -32.4 | 178 | -80.7 | -62.5 | 0 | 0 | 0 | 112.9 | L40 K44 L66 A67 E68 M73 C74 D75 Q78 H82 | L40-Y70 HydrophobicContact CD1-CD1 3.96Å; L40-Y70 HydrophobicContact CD1-CD2 4.25Å; L40-Y70 HydrophobicContact CD1-CE1 3.63Å; L40-Y70 HydrophobicContact CD1-CE2 3.88Å; L40-Y70 HydrophobicContact CD1-CG 4.28Å; L40-Y70 HydrophobicContact CG-CE2 4.48Å; K44-Y70 PolarHBondContact NZ-OH 2.92Å; L66-Y70 WeakPolarHBondContact O-CD2 3.38Å; L66-Y70 PolarHBondContact O-N 2.88Å; A67-Y70 PolarHBondContact O-N 2.98Å; E68-Y70 PolarHBondContact O-N 3.44Å; Y70-M73 HydrophobicContact CD1-CE 3.31Å; Y70-M73 HydrophobicContact CE1-CE 3.61Å; Y70-M73 HydrophobicContact CG-CE 4.19Å; Y70-M73 PolarHBondContact O-N 3.43Å; Y70-C74 PolarHBondContact O-N 3.24Å; Y70-D75 HydrophobicContact CD1-CB 3.96Å; Y70-D75 PolarHBondContact O-N 3.46Å; Y70-Q78 HydrophobicContact CD1-CB 3.48Å; Y70-Q78 VanDerWaalsContact CD1-CB 3.48Å; Y70-Q78 HydrophobicContact CD1-CG 4.21Å; Y70-Q78 HydrophobicContact CD2-CB 3.79Å; Y70-Q78 HydrophobicContact CE1-CB 3.53Å; Y70-Q78 HydrophobicContact CE1-CG 3.82Å; Y70-Q78 HydrophobicContact CE2-CB 3.89Å; Y70-Q78 HydrophobicContact CG-CB 3.6Å; Y70-H82 AromaticContact CD2-CD2 3.54Å; Y70-H82 AromaticContact CE2-CD2 3.3Å; Y70-H82 WeakPolarHBondContact CE2-CD2 3.34Å; Y70-H82 AromaticContact CE2-NE2 3.45Å; Y70-H82 WeakPolarHBondContact CE2-NE2 3.18Å |
| 71 | I | 79.6 | Confident | 88.1 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 170.9 | -68.9 | 166.7 | 0 | 0 | 0 | 110.5 | A67 E68 C69 M73 C74 A79 C109 N112 | A67-I71 VanDerWaalsContact O-CG1 3.27Å; A67-I71 WeakPolarHBondContact O-CG1 3.49Å; A67-I71 PolarHBondContact O-N 2.97Å; E68-I71 WeakPolarHBondContact O-CB 3.32Å; E68-I71 PolarHBondContact O-N 3.35Å; C69-I71 VanDerWaalsContact C-N 3.29Å; C69-I71 PolarHBondContact O-N 3.13Å; I71-M73 PolarHBondContact O-N 3.17Å; I71-C74 PolarHBondContact O-N 3.24Å; I71-A79 HydrophobicContact CG1-CB 3.8Å; I71-C109 VanDerWaalsContact CD1-SG 3.59Å; I71-N112 WeakPolarHBondContact CG2-ND2 3.44Å |
| 72 | E | 80.8 | Confident | 88.3 | Confident | 49 Ų | 49 | 32.3 Ų | 32.3 | 23% | 0.229 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -24.4 | -179.6 | -61.3 | -54.2 | 151.3 | 0 | 0 | 112.9 | E68 C69 C74 | E68-E72 WeakPolarHBondContact O-CG 3.4Å; E68-E72 PolarHBondContact O-N 3.34Å; E68-E72 VanDerWaalsContact O-N 3.16Å; C69-E72 PolarHBondContact O-N 3.47Å; E72-C74 VanDerWaalsContact C-N 3.34Å |
| 73 | M | 80 | Confident | 88.4 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.1 | 173 | -64 | -171.7 | -38.5 | 0 | 0 | 114 | H36 D37 L40 C69 Y70 I71 D75 | H36-M73 HydrophobicContact CB-CG 3.79Å; H36-M73 HydrophobicContact CB-SD 4.21Å; D37-M73 VanDerWaalsContact OD1-SD 3.37Å; L40-M73 HydrophobicContact CD1-CE 3.22Å; L40-M73 HydrophobicContact CD1-SD 4.01Å; C69-M73 WeakPolarHBondContact O-CG 3.27Å; C69-M73 PolarHBondContact O-N 3.38Å; Y70-M73 HydrophobicContact CD1-CE 3.31Å; Y70-M73 HydrophobicContact CE1-CE 3.61Å; Y70-M73 HydrophobicContact CG-CE 4.19Å; Y70-M73 PolarHBondContact O-N 3.43Å; I71-M73 PolarHBondContact O-N 3.17Å; M73-D75 PolarHBondContact O-N 3.28Å |
| 74 | C | 80 | Confident | 88.4 | Confident | 35 Ų | 35 | 35.1 Ų | 35.1 | 24% | 0.236 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 18.5 | -176.7 | -56.6 | 0 | 0 | 0 | 0 | 115.5 | Y70 I71 E72 F76 | Y70-C74 PolarHBondContact O-N 3.24Å; I71-C74 PolarHBondContact O-N 3.24Å; E72-C74 VanDerWaalsContact C-N 3.34Å; C74-F76 HydrophobicContact CB-CE2 4.25Å; C74-F76 HydrophobicContact CB-CZ 4.01Å; C74-F76 WeakPolarHBondContact O-CD2 3.3Å; C74-F76 PolarHBondContact O-N 3.48Å |
| 75 | D | 85.7 | Confident | 88.5 | Confident | 61 Ų | 61 | 37.4 Ų | 37.4 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | trans | -92.1 | 78.1 | 171.5 | -175.8 | -11.1 | 0 | 0 | 0 | 109.9 | Y70 M73 T77 Q78 A79 | Y70-D75 HydrophobicContact CD1-CB 3.96Å; Y70-D75 PolarHBondContact O-N 3.46Å; M73-D75 PolarHBondContact O-N 3.28Å; D75-T77 PolarHBondContact O-N 2.83Å; D75-T77 PolarHBondContact OD1-N 3.42Å; D75-Q78 PolarHBondContact O-N 3.34Å; D75-Q78 PolarHBondContact OD1-N 3.09Å; D75-Q78 WeakPolarHBondContact OD2-CG 3.31Å; D75-A79 WeakPolarHBondContact O-CB 3.38Å; D75-A79 PolarHBondContact O-N 3.25Å | ||
| 76 | F | 86.8 | Confident | 88.7 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 7% | 0.066 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -22.7 | -175.9 | -51.8 | -59.6 | 0 | 0 | 0 | 113.1 | C74 I80 N112 R113 | C74-F76 HydrophobicContact CB-CE2 4.25Å; C74-F76 HydrophobicContact CB-CZ 4.01Å; C74-F76 WeakPolarHBondContact O-CD2 3.3Å; C74-F76 PolarHBondContact O-N 3.48Å; F76-I80 WeakPolarHBondContact O-CB 3.31Å; F76-I80 WeakPolarHBondContact O-CD1 3.29Å; F76-I80 WeakPolarHBondContact O-CG1 3.16Å; F76-I80 PolarHBondContact O-N 3.47Å; F76-N112 HydrophobicContact CD1-CB 3.98Å; F76-N112 HydrophobicContact CE1-CB 3.47Å; F76-N112 VanDerWaalsContact CE1-CB 3.47Å; F76-N112 HydrophobicContact CZ-CB 4.05Å; F76-N112 WeakPolarHBondContact CZ-O 3.25Å; F76-R113 HydrophobicContact CB-CB 3.76Å; F76-R113 HydrophobicContact CB-CG 3.86Å; F76-R113 HydrophobicContact CD2-CB 4.12Å; F76-R113 HydrophobicContact CD2-CG 4.25Å; F76-R113 HydrophobicContact CG-CB 3.93Å; F76-R113 HydrophobicContact CG-CG 4.3Å |
| 77 | T | 86.9 | Confident | 88.9 | Confident | 104 Ų | 104 | 35.9 Ų | 35.9 | 64% | 0.638 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -67.5 | -49.3 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 109.9 | D75 I80 F81 | D75-T77 PolarHBondContact O-N 2.83Å; D75-T77 PolarHBondContact OD1-N 3.42Å; T77-I80 PolarHBondContact O-N 3.3Å; T77-F81 PolarHBondContact O-N 3.19Å |
| 78 | Q | 91.4 | Very high | 89.2 | Confident | 68 Ų | 68 | 40.9 Ų | 40.9 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.4 | -36.5 | 174.8 | -67.8 | -60.7 | -31.7 | 0 | 0 | 112.2 | Y70 D75 I80 F81 H82 | Y70-Q78 HydrophobicContact CD1-CB 3.48Å; Y70-Q78 VanDerWaalsContact CD1-CB 3.48Å; Y70-Q78 HydrophobicContact CD1-CG 4.21Å; Y70-Q78 HydrophobicContact CD2-CB 3.79Å; Y70-Q78 HydrophobicContact CE1-CB 3.53Å; Y70-Q78 HydrophobicContact CE1-CG 3.82Å; Y70-Q78 HydrophobicContact CE2-CB 3.89Å; Y70-Q78 HydrophobicContact CG-CB 3.6Å; D75-Q78 PolarHBondContact O-N 3.34Å; D75-Q78 PolarHBondContact OD1-N 3.09Å; D75-Q78 WeakPolarHBondContact OD2-CG 3.31Å; Q78-I80 PolarHBondContact O-N 2.8Å; Q78-F81 WeakPolarHBondContact O-CB 3.22Å; Q78-F81 PolarHBondContact O-N 3.39Å; Q78-H82 PolarHBondContact O-CD2 3.06Å; Q78-H82 PolarHBondContact O-N 2.91Å |
| 79 | A | 90 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | I71 D75 T83 | I71-A79 HydrophobicContact CG1-CB 3.8Å; D75-A79 WeakPolarHBondContact O-CB 3.38Å; D75-A79 PolarHBondContact O-N 3.25Å; A79-T83 VanDerWaalsContact O-CB 3.3Å; A79-T83 WeakPolarHBondContact O-CB 3.5Å; A79-T83 PolarHBondContact O-N 3.44Å; A79-T83 PolarHBondContact O-OG1 2.88Å |
| 80 | I | 90.6 | Very high | 90.1 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.1 | -69.4 | 164.1 | 0 | 0 | 0 | 110.6 | F76 T77 Q78 T83 N84 L106 C109 F110 | F76-I80 WeakPolarHBondContact O-CB 3.31Å; F76-I80 WeakPolarHBondContact O-CD1 3.29Å; F76-I80 WeakPolarHBondContact O-CG1 3.16Å; F76-I80 PolarHBondContact O-N 3.47Å; T77-I80 PolarHBondContact O-N 3.3Å; Q78-I80 PolarHBondContact O-N 2.8Å; I80-T83 PolarHBondContact O-N 2.78Å; I80-N84 WeakPolarHBondContact CG2-ND2 3.27Å; I80-N84 WeakPolarHBondContact O-CB 3.4Å; I80-N84 PolarHBondContact O-N 3.39Å; I80-N84 PolarHBondContact O-ND2 3.28Å; I80-L106 HydrophobicContact CG2-CD1 4.44Å; I80-C109 HydrophobicContact CG1-CB 3.78Å; I80-F110 HydrophobicContact CD1-CD1 3.73Å; I80-F110 HydrophobicContact CD1-CE1 3.64Å; I80-F110 HydrophobicContact CG1-CD1 4.35Å; I80-F110 HydrophobicContact CG1-CE1 4.2Å; I80-F110 HydrophobicContact CG2-CE1 4.33Å; I80-F110 HydrophobicContact CG2-CZ 4.28Å |
| 81 | F | 93.4 | Very high | 90.4 | Very high | 126 Ų | 126 | 42.5 Ų | 42.5 | 55% | 0.553 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -58.2 | -54.1 | 177 | 174.9 | -97.7 | 0 | 0 | 0 | 112 | T77 Q78 T83 N84 R85 | T77-F81 PolarHBondContact O-N 3.19Å; Q78-F81 WeakPolarHBondContact O-CB 3.22Å; Q78-F81 PolarHBondContact O-N 3.39Å; F81-T83 VanDerWaalsContact C-N 3.31Å; F81-T83 PolarHBondContact O-N 3.08Å; F81-N84 PolarHBondContact O-N 3.35Å; F81-R85 PolarHBondContact O-N 3.01Å |
| 82 | H | 94.4 | Very high | 91.1 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.9 | -33.5 | 179.2 | -80.4 | -70.2 | 0 | 0 | 0 | 112.5 | N63 L66 A67 Y70 Q78 R85 Y86 | N63-H82 PolarHBondContact OD1-ND1 3.07Å; L66-H82 HydrophobicContact CB-CB 4.32Å; A67-H82 HydrophobicContact CB-CB 4.03Å; Y70-H82 AromaticContact CD2-CD2 3.54Å; Y70-H82 AromaticContact CE2-CD2 3.3Å; Y70-H82 WeakPolarHBondContact CE2-CD2 3.34Å; Y70-H82 AromaticContact CE2-NE2 3.45Å; Y70-H82 WeakPolarHBondContact CE2-NE2 3.18Å; Q78-H82 PolarHBondContact O-CD2 3.06Å; Q78-H82 PolarHBondContact O-N 2.91Å; H82-R85 PolarHBondContact O-N 3.12Å; H82-Y86 WeakPolarHBondContact O-CB 3.39Å; H82-Y86 PolarHBondContact O-N 3.03Å |
| 83 | T | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 174.9 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | A67 A79 I80 F81 R85 Y86 L87 T105 L106 C109 | A67-T83 VanDerWaalsContact CB-OG1 3.27Å; A67-T83 WeakPolarHBondContact CB-OG1 3.5Å; A79-T83 VanDerWaalsContact O-CB 3.3Å; A79-T83 WeakPolarHBondContact O-CB 3.5Å; A79-T83 PolarHBondContact O-N 3.44Å; A79-T83 PolarHBondContact O-OG1 2.88Å; I80-T83 PolarHBondContact O-N 2.78Å; F81-T83 VanDerWaalsContact C-N 3.31Å; F81-T83 PolarHBondContact O-N 3.08Å; T83-R85 VanDerWaalsContact C-N 3.32Å; T83-Y86 WeakPolarHBondContact O-CB 3.34Å; T83-Y86 PolarHBondContact O-N 2.95Å; T83-L87 PolarHBondContact O-N 2.86Å; T83-T105 HydrophobicContact CG2-CG2 3.92Å; T83-L106 HydrophobicContact CG2-CB 3.69Å; T83-L106 HydrophobicContact CG2-CD1 3.93Å; T83-L106 HydrophobicContact CG2-CG 4.4Å; T83-C109 PolarHBondContact OG1-SG 3.5Å; T83-C109 VanDerWaalsContact OG1-SG 3.34Å |
| 84 | N | 95.4 | Very high | 92.1 | Very high | 63 Ų | 63 | 50 Ų | 50 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 172.9 | -78.5 | -34.9 | 0 | 0 | 0 | 111.2 | I80 F81 L87 Q88 | I80-N84 WeakPolarHBondContact CG2-ND2 3.27Å; I80-N84 WeakPolarHBondContact O-CB 3.4Å; I80-N84 PolarHBondContact O-N 3.39Å; I80-N84 PolarHBondContact O-ND2 3.28Å; F81-N84 PolarHBondContact O-N 3.35Å; N84-L87 PolarHBondContact O-N 2.86Å; N84-Q88 WeakPolarHBondContact O-CB 3.5Å; N84-Q88 VanDerWaalsContact O-CG 3.28Å; N84-Q88 WeakPolarHBondContact O-CG 3.32Å; N84-Q88 PolarHBondContact O-N 2.88Å |
| 85 | R | 95.8 | Very high | 92.6 | Very high | 93 Ų | 93 | 50.6 Ų | 50.6 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 174 | -170.5 | 62.1 | 173.6 | 150.1 | 1.7 | 111.6 | N63 F81 H82 T83 Q88 L89 | N63-R85 WeakPolarHBondContact OD1-CG 3.49Å; F81-R85 PolarHBondContact O-N 3.01Å; H82-R85 PolarHBondContact O-N 3.12Å; T83-R85 VanDerWaalsContact C-N 3.32Å; R85-Q88 PolarHBondContact O-N 3.5Å; R85-L89 HydrophobicContact CG-CD1 4.14Å; R85-L89 WeakPolarHBondContact O-CB 3.37Å; R85-L89 WeakPolarHBondContact O-CG 3.34Å; R85-L89 PolarHBondContact O-N 3.1Å |
| 86 | Y | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 173.4 | 172.1 | -144.3 | 0 | 0 | 0 | 111.9 | A60 R64 H82 T83 L89 S90 E98 R101 A102 | A60-Y86 VanDerWaalsContact C-CD2 3.41Å; A60-Y86 HydrophobicContact CB-CD2 3.71Å; A60-Y86 HydrophobicContact CB-CE2 4.04Å; A60-Y86 WeakPolarHBondContact O-CD2 3.4Å; R64-Y86 HydrophobicContact CB-CD1 3.79Å; R64-Y86 HydrophobicContact CB-CD2 4.36Å; R64-Y86 HydrophobicContact CB-CE1 3.74Å; R64-Y86 HydrophobicContact CB-CE2 4.32Å; R64-Y86 HydrophobicContact CB-CG 4.11Å; R64-Y86 HydrophobicContact CG-CD1 4.09Å; R64-Y86 HydrophobicContact CG-CE1 3.72Å; H82-Y86 WeakPolarHBondContact O-CB 3.39Å; H82-Y86 PolarHBondContact O-N 3.03Å; T83-Y86 WeakPolarHBondContact O-CB 3.34Å; T83-Y86 PolarHBondContact O-N 2.95Å; Y86-L89 PolarHBondContact O-N 3.46Å; Y86-S90 WeakPolarHBondContact CD2-OG 3.48Å; Y86-S90 VanDerWaalsContact CE2-OG 3.31Å; Y86-S90 WeakPolarHBondContact CE2-OG 3.49Å; Y86-S90 WeakPolarHBondContact O-CB 3.46Å; Y86-S90 PolarHBondContact O-N 3.4Å; Y86-S90 PolarHBondContact O-OG 2.9Å; Y86-E98 HydrophobicContact CE2-CB 4.18Å; Y86-E98 PolarHBondContact OH-O 3.48Å; Y86-E98 PolarHBondContact OH-OE2 3.19Å; Y86-R101 HydrophobicContact CE1-CB 4.45Å; Y86-R101 WeakPolarHBondContact OH-CB 3.13Å; Y86-A102 HydrophobicContact CD1-CB 3.44Å; Y86-A102 VanDerWaalsContact CD1-CB 3.44Å; Y86-A102 HydrophobicContact CE1-CB 3.48Å; Y86-A102 VanDerWaalsContact CE1-CB 3.48Å; Y86-A102 HydrophobicContact CG-CB 3.99Å |
| 87 | L | 95.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 177.1 | -179.5 | 60.3 | 0 | 0 | 0 | 111.7 | T83 N84 S90 L91 A102 Y103 L106 | T83-L87 PolarHBondContact O-N 2.86Å; N84-L87 PolarHBondContact O-N 2.86Å; L87-S90 PolarHBondContact O-N 2.95Å; L87-L91 HydrophobicContact CD1-CD1 4.26Å; L87-L91 HydrophobicContact CD1-CG 4.36Å; L87-L91 HydrophobicContact CG-CD1 4.07Å; L87-L91 WeakPolarHBondContact O-CB 3.43Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 3.35Å; L87-L91 PolarHBondContact O-N 3.27Å; L87-A102 HydrophobicContact CB-CB 3.91Å; L87-A102 HydrophobicContact CD1-CB 3.91Å; L87-Y103 HydrophobicContact CD1-CD2 4.07Å; L87-Y103 HydrophobicContact CD1-CE1 4.36Å; L87-Y103 HydrophobicContact CD1-CE2 3.74Å; L87-Y103 HydrophobicContact CD2-CD1 4.36Å; L87-Y103 HydrophobicContact CD2-CE1 3.84Å; L87-L106 HydrophobicContact CD2-CD2 4.48Å |
| 88 | Q | 96 | Very high | 93.3 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 177.8 | -75.7 | 175 | -3.6 | 0 | 0 | 112.2 | N84 R85 S90 L91 L92 | N84-Q88 WeakPolarHBondContact O-CB 3.5Å; N84-Q88 VanDerWaalsContact O-CG 3.28Å; N84-Q88 WeakPolarHBondContact O-CG 3.32Å; N84-Q88 PolarHBondContact O-N 2.88Å; R85-Q88 PolarHBondContact O-N 3.5Å; Q88-S90 VanDerWaalsContact C-N 3.35Å; Q88-L91 WeakPolarHBondContact O-CB 3.39Å; Q88-L91 PolarHBondContact O-N 3.25Å; Q88-L92 WeakPolarHBondContact O-CG 3.29Å; Q88-L92 PolarHBondContact O-N 3.06Å |
| 89 | L | 96 | Very high | 93.5 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 178.5 | -69.6 | 169.9 | 0 | 0 | 0 | 111.6 | N56 C59 A60 R85 Y86 L91 L92 V93 | N56-L89 HydrophobicContact CB-CD2 4.4Å; C59-L89 HydrophobicContact CB-CD1 3.8Å; A60-L89 HydrophobicContact CB-CB 3.7Å; A60-L89 HydrophobicContact CB-CD1 4.45Å; R85-L89 HydrophobicContact CG-CD1 4.14Å; R85-L89 WeakPolarHBondContact O-CB 3.37Å; R85-L89 WeakPolarHBondContact O-CG 3.34Å; R85-L89 PolarHBondContact O-N 3.1Å; Y86-L89 PolarHBondContact O-N 3.46Å; L89-L91 VanDerWaalsContact C-N 3.31Å; L89-L91 PolarHBondContact O-N 3.06Å; L89-L92 HydrophobicContact CD2-CD1 4.33Å; L89-L92 PolarHBondContact O-N 2.91Å; L89-V93 WeakPolarHBondContact O-CG2 3.43Å; L89-V93 PolarHBondContact O-N 3.26Å |
| 90 | S | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -33.9 | 176.4 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | Y86 L87 Q88 G94 N95 Q99 | Y86-S90 WeakPolarHBondContact CD2-OG 3.48Å; Y86-S90 VanDerWaalsContact CE2-OG 3.31Å; Y86-S90 WeakPolarHBondContact CE2-OG 3.49Å; Y86-S90 WeakPolarHBondContact O-CB 3.46Å; Y86-S90 PolarHBondContact O-N 3.4Å; Y86-S90 PolarHBondContact O-OG 2.9Å; L87-S90 PolarHBondContact O-N 2.95Å; Q88-S90 VanDerWaalsContact C-N 3.35Å; S90-G94 PolarHBondContact O-N 3.14Å; S90-N95 PolarHBondContact O-N 3.2Å; S90-Q99 PolarHBondContact O-NE2 3.08Å |
| 91 | L | 93.8 | Very high | 93.7 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 46% | 0.461 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.5 | -45.3 | 171.3 | -74.7 | 166.3 | 0 | 0 | 0 | 111.4 | L87 Q88 L89 V93 G94 Q99 | L87-L91 HydrophobicContact CD1-CD1 4.26Å; L87-L91 HydrophobicContact CD1-CG 4.36Å; L87-L91 HydrophobicContact CG-CD1 4.07Å; L87-L91 WeakPolarHBondContact O-CB 3.43Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 3.35Å; L87-L91 PolarHBondContact O-N 3.27Å; Q88-L91 WeakPolarHBondContact O-CB 3.39Å; Q88-L91 PolarHBondContact O-N 3.25Å; L89-L91 VanDerWaalsContact C-N 3.31Å; L89-L91 PolarHBondContact O-N 3.06Å; L91-V93 VanDerWaalsContact C-N 3.33Å; L91-V93 PolarHBondContact O-N 3.04Å; L91-G94 PolarHBondContact O-N 2.94Å; L91-Q99 HydrophobicContact CD2-CG 4.12Å; L91-Q99 HydrophobicContact CG-CG 4.26Å |
| 92 | L | 94.4 | Very high | 93.7 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 67% | 0.665 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.2 | -40.5 | 177.5 | -74.6 | 170.2 | 0 | 0 | 0 | 112.7 | Q88 L89 G94 | Q88-L92 WeakPolarHBondContact O-CG 3.29Å; Q88-L92 PolarHBondContact O-N 3.06Å; L89-L92 HydrophobicContact CD2-CD1 4.33Å; L89-L92 PolarHBondContact O-N 2.91Å; L92-G94 VanDerWaalsContact C-N 3.27Å; L92-G94 PolarHBondContact O-N 3.27Å |
| 93 | V | 93 | Very high | 93.7 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.4 | -17.4 | 177 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | N56 L57 L89 L91 N95 | N56-V93 HydrophobicContact CB-CG2 3.49Å; N56-V93 VanDerWaalsContact CB-CG2 3.49Å; L57-V93 HydrophobicContact CB-CG1 4.31Å; L57-V93 HydrophobicContact CB-CG2 4.4Å; L57-V93 HydrophobicContact CD1-CG1 4.34Å; L89-V93 WeakPolarHBondContact O-CG2 3.43Å; L89-V93 PolarHBondContact O-N 3.26Å; L91-V93 VanDerWaalsContact C-N 3.33Å; L91-V93 PolarHBondContact O-N 3.04Å; V93-N95 HydrophobicContact CG1-CB 4.15Å; V93-N95 PolarHBondContact O-N 3.09Å |
| 94 | G | 90.3 | Very high | 93.7 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 52% | 0.515 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 16.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S90 L91 L92 K96 | S90-G94 PolarHBondContact O-N 3.14Å; L91-G94 PolarHBondContact O-N 2.94Å; L92-G94 VanDerWaalsContact C-N 3.27Å; L92-G94 PolarHBondContact O-N 3.27Å; G94-K96 PolarHBondContact O-N 2.97Å |
| 95 | N | 90.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | trans | -83.7 | 98.2 | -179.8 | -172.7 | -25.9 | 0 | 0 | 0 | 111.1 | L57 S90 V93 I97 E98 Q99 | L57-N95 HydrophobicContact CD1-CB 4.4Å; S90-N95 PolarHBondContact O-N 3.2Å; V93-N95 HydrophobicContact CG1-CB 4.15Å; V93-N95 PolarHBondContact O-N 3.09Å; N95-I97 VanDerWaalsContact C-N 3.29Å; N95-I97 PolarHBondContact O-N 3.25Å; N95-I97 WeakPolarHBondContact OD1-CB 3.4Å; N95-I97 PolarHBondContact OD1-N 3Å; N95-I97 VanDerWaalsContact OD1-N 3.12Å; N95-E98 HydrophobicContact CB-CB 4.31Å; N95-E98 HydrophobicContact CB-CG 4.45Å; N95-E98 PolarHBondContact O-N 2.99Å; N95-E98 PolarHBondContact OD1-N 3.46Å; N95-Q99 VanDerWaalsContact O-CG 3.3Å; N95-Q99 WeakPolarHBondContact O-CG 3.37Å; N95-Q99 PolarHBondContact O-N 3.09Å | ||
| 96 | K | 91.5 | Very high | 93.1 | Very high | 75 Ų | 75 | 38.7 Ų | 38.7 | 33% | 0.326 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.2 | -30 | -177.5 | -65.4 | -168 | 177.8 | -164.9 | 0 | 114.5 | G94 Q99 Q100 E143 L144 | G94-K96 PolarHBondContact O-N 2.97Å; K96-Q99 PolarHBondContact O-N 3.2Å; K96-Q100 WeakPolarHBondContact O-CB 3.47Å; K96-Q100 PolarHBondContact O-N 3.28Å; K96-E143 HydrophobicContact CD-CB 4.15Å; K96-E143 WeakPolarHBondContact CD-O 3.44Å; K96-E143 VanDerWaalsContact NZ-CB 3.27Å; K96-E143 PolarHBondContact NZ-O 3.37Å; K96-E143 IonicContact NZ-OE2 3.06Å; K96-E143 PolarHBondContact NZ-OE2 3.46Å; K96-L144 HydrophobicContact CB-CD2 3.87Å |
| 97 | I | 91.2 | Very high | 92.7 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -47.3 | 177.5 | -62.1 | 170.8 | 0 | 0 | 0 | 109.6 | N95 Q100 R101 L144 L148 M156 | N95-I97 VanDerWaalsContact C-N 3.29Å; N95-I97 PolarHBondContact O-N 3.25Å; N95-I97 WeakPolarHBondContact OD1-CB 3.4Å; N95-I97 PolarHBondContact OD1-N 3Å; N95-I97 VanDerWaalsContact OD1-N 3.12Å; I97-Q100 PolarHBondContact O-N 3.2Å; I97-R101 WeakPolarHBondContact O-CG 3.19Å; I97-R101 PolarHBondContact O-N 3.46Å; I97-R101 VanDerWaalsContact O-N 3.08Å; I97-L144 HydrophobicContact CB-CD2 4.47Å; I97-L144 HydrophobicContact CG1-CD2 3.8Å; I97-L148 HydrophobicContact CD1-CD1 3.61Å; I97-L148 HydrophobicContact CD1-CG 4.47Å; I97-L148 HydrophobicContact CG1-CD1 3.8Å; I97-M156 HydrophobicContact CG2-CE 3.97Å |
| 98 | E | 91.9 | Very high | 92.4 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.3 | -33.1 | 178.9 | -65.1 | -58.1 | 125.1 | 0 | 0 | 111.8 | L57 Y86 N95 R101 A102 | L57-E98 HydrophobicContact CD1-CG 4.06Å; Y86-E98 HydrophobicContact CE2-CB 4.18Å; Y86-E98 PolarHBondContact OH-O 3.48Å; Y86-E98 PolarHBondContact OH-OE2 3.19Å; N95-E98 HydrophobicContact CB-CB 4.31Å; N95-E98 HydrophobicContact CB-CG 4.45Å; N95-E98 PolarHBondContact O-N 2.99Å; N95-E98 PolarHBondContact OD1-N 3.46Å; E98-R101 PolarHBondContact O-N 2.9Å; E98-R101 IonicContact OE1-CZ 2.85Å; E98-R101 IonicContact OE1-NE 3.61Å; E98-R101 IonicContact OE1-NH1 3.62Å; E98-R101 PolarHBondContact OE1-NH1 3.28Å; E98-A102 WeakPolarHBondContact O-CB 3.27Å; E98-A102 PolarHBondContact O-N 2.7Å |
| 99 | Q | 93.9 | Very high | 92 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 170.5 | -67.7 | 167.5 | 26.1 | 0 | 0 | 111.9 | S90 L91 N95 K96 R101 A102 Y103 L140 | S90-Q99 PolarHBondContact O-NE2 3.08Å; L91-Q99 HydrophobicContact CD2-CG 4.12Å; L91-Q99 HydrophobicContact CG-CG 4.26Å; N95-Q99 VanDerWaalsContact O-CG 3.3Å; N95-Q99 WeakPolarHBondContact O-CG 3.37Å; N95-Q99 PolarHBondContact O-N 3.09Å; K96-Q99 PolarHBondContact O-N 3.2Å; Q99-R101 VanDerWaalsContact C-N 3.32Å; Q99-R101 PolarHBondContact O-N 2.87Å; Q99-A102 WeakPolarHBondContact O-CB 3.21Å; Q99-A102 PolarHBondContact O-N 3.05Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.23Å; Q99-Y103 PolarHBondContact O-N 3.02Å; Q99-L140 HydrophobicContact CB-CD1 4.3Å |
| 100 | Q | 94.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 177.5 | -175.6 | -80.5 | -18.2 | 0 | 0 | 111.3 | K96 I97 Y103 V104 S137 L140 I141 S160 | K96-Q100 WeakPolarHBondContact O-CB 3.47Å; K96-Q100 PolarHBondContact O-N 3.28Å; I97-Q100 PolarHBondContact O-N 3.2Å; Q100-Y103 PolarHBondContact O-N 2.76Å; Q100-V104 WeakPolarHBondContact O-CG2 3.41Å; Q100-V104 PolarHBondContact O-N 3.36Å; Q100-V104 VanDerWaalsContact O-N 3.17Å; Q100-S137 PolarHBondContact NE2-OG 3.39Å; Q100-S137 PolarHBondContact O-OG 3.1Å; Q100-L140 HydrophobicContact CB-CB 4.43Å; Q100-I141 HydrophobicContact CG-CD1 4.46Å; Q100-I141 HydrophobicContact CG-CG1 3.83Å; Q100-S160 PolarHBondContact NE2-OG 2.98Å; Q100-S160 VanDerWaalsContact NE2-OG 3.11Å |
| 101 | R | 91.8 | Very high | 91.4 | Very high | 101 Ų | 101 | 35 Ų | 35 | 38% | 0.381 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.1 | -73.3 | 173.4 | 175 | 174.6 | -2.8 | 112 | Y86 I97 E98 Q99 Y103 V104 T105 | Y86-R101 HydrophobicContact CE1-CB 4.45Å; Y86-R101 WeakPolarHBondContact OH-CB 3.13Å; I97-R101 WeakPolarHBondContact O-CG 3.19Å; I97-R101 PolarHBondContact O-N 3.46Å; I97-R101 VanDerWaalsContact O-N 3.08Å; E98-R101 PolarHBondContact O-N 2.9Å; E98-R101 IonicContact OE1-CZ 2.85Å; E98-R101 IonicContact OE1-NE 3.61Å; E98-R101 IonicContact OE1-NH1 3.62Å; E98-R101 PolarHBondContact OE1-NH1 3.28Å; Q99-R101 VanDerWaalsContact C-N 3.32Å; Q99-R101 PolarHBondContact O-N 2.87Å; R101-Y103 VanDerWaalsContact C-N 3.32Å; R101-Y103 PolarHBondContact O-N 2.88Å; R101-V104 PolarHBondContact O-N 3.5Å; R101-V104 VanDerWaalsContact O-N 3.14Å; R101-T105 PolarHBondContact O-N 2.99Å; R101-T105 PolarHBondContact O-OG1 3.1Å |
| 102 | A | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y86 L87 E98 Q99 V104 T105 L106 | Y86-A102 HydrophobicContact CD1-CB 3.44Å; Y86-A102 VanDerWaalsContact CD1-CB 3.44Å; Y86-A102 HydrophobicContact CE1-CB 3.48Å; Y86-A102 VanDerWaalsContact CE1-CB 3.48Å; Y86-A102 HydrophobicContact CG-CB 3.99Å; L87-A102 HydrophobicContact CB-CB 3.91Å; L87-A102 HydrophobicContact CD1-CB 3.91Å; E98-A102 WeakPolarHBondContact O-CB 3.27Å; E98-A102 PolarHBondContact O-N 2.7Å; Q99-A102 WeakPolarHBondContact O-CB 3.21Å; Q99-A102 PolarHBondContact O-N 3.05Å; A102-V104 PolarHBondContact O-N 2.7Å; A102-T105 PolarHBondContact O-N 2.83Å; A102-L106 VanDerWaalsContact O-CB 3.32Å; A102-L106 WeakPolarHBondContact O-CB 3.27Å; A102-L106 PolarHBondContact O-N 3.17Å |
| 103 | Y | 96 | Very high | 90.5 | Very high | 43 Ų | 43 | 28 Ų | 28 | 17% | 0.169 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63 | -38.2 | 174.3 | -81.6 | -62.1 | 0 | 0 | 0 | 113.4 | L87 Q99 Q100 R101 L106 G107 A133 N136 L140 | L87-Y103 HydrophobicContact CD1-CD2 4.07Å; L87-Y103 HydrophobicContact CD1-CE1 4.36Å; L87-Y103 HydrophobicContact CD1-CE2 3.74Å; L87-Y103 HydrophobicContact CD2-CD1 4.36Å; L87-Y103 HydrophobicContact CD2-CE1 3.84Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.23Å; Q99-Y103 PolarHBondContact O-N 3.02Å; Q100-Y103 PolarHBondContact O-N 2.76Å; R101-Y103 VanDerWaalsContact C-N 3.32Å; R101-Y103 PolarHBondContact O-N 2.88Å; Y103-L106 PolarHBondContact O-N 3.44Å; Y103-G107 PolarHBondContact O-N 3.45Å; Y103-A133 WeakPolarHBondContact CB-O 3.42Å; Y103-A133 HydrophobicContact CD1-CB 4.33Å; Y103-N136 HydrophobicContact CD1-CB 3.85Å; Y103-N136 HydrophobicContact CD2-CB 4.31Å; Y103-N136 HydrophobicContact CE1-CB 3.8Å; Y103-N136 HydrophobicContact CE2-CB 4.28Å; Y103-N136 HydrophobicContact CG-CB 4.11Å; Y103-L140 HydrophobicContact CD2-CD1 3.4Å; Y103-L140 HydrophobicContact CE2-CD1 3.37Å |
| 104 | V | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 175 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | Q100 R101 A102 L106 G107 R108 L134 S137 V159 S160 K594 | Q100-V104 WeakPolarHBondContact O-CG2 3.41Å; Q100-V104 PolarHBondContact O-N 3.36Å; Q100-V104 VanDerWaalsContact O-N 3.17Å; R101-V104 PolarHBondContact O-N 3.5Å; R101-V104 VanDerWaalsContact O-N 3.14Å; A102-V104 PolarHBondContact O-N 2.7Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 2.77Å; V104-G107 PolarHBondContact O-N 3.15Å; V104-R108 PolarHBondContact O-N 2.98Å; V104-R108 VanDerWaalsContact O-N 3.1Å; V104-L134 HydrophobicContact CG1-CD2 4.42Å; V104-S137 WeakPolarHBondContact CG2-OG 3.19Å; V104-V159 HydrophobicContact CG1-CG1 4.33Å; V104-S160 WeakPolarHBondContact CG2-OG 3.46Å; V104-K594 HydrophobicContact CG1-CD 4.37Å |
| 105 | T | 88.9 | Confident | 89 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 176.1 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | A67 T83 R101 A102 G107 R108 C109 | A67-T105 HydrophobicContact CB-CG2 4.4Å; T83-T105 HydrophobicContact CG2-CG2 3.92Å; R101-T105 PolarHBondContact O-N 2.99Å; R101-T105 PolarHBondContact O-OG1 3.1Å; A102-T105 PolarHBondContact O-N 2.83Å; T105-G107 PolarHBondContact O-N 3.46Å; T105-R108 WeakPolarHBondContact O-CB 3.32Å; T105-R108 PolarHBondContact O-N 3.33Å; T105-R108 VanDerWaalsContact O-N 3.16Å; T105-C109 PolarHBondContact O-N 3.25Å; T105-C109 PolarHBondContact O-SG 3.09Å |
| 106 | L | 90.5 | Very high | 88.3 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.068 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 179 | -169.9 | 64.5 | 0 | 0 | 0 | 111.7 | I80 T83 L87 A102 Y103 V104 R108 C109 F110 A133 | I80-L106 HydrophobicContact CG2-CD1 4.44Å; T83-L106 HydrophobicContact CG2-CB 3.69Å; T83-L106 HydrophobicContact CG2-CD1 3.93Å; T83-L106 HydrophobicContact CG2-CG 4.4Å; L87-L106 HydrophobicContact CD2-CD2 4.48Å; A102-L106 VanDerWaalsContact O-CB 3.32Å; A102-L106 WeakPolarHBondContact O-CB 3.27Å; A102-L106 PolarHBondContact O-N 3.17Å; Y103-L106 PolarHBondContact O-N 3.44Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 2.77Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.43Å; L106-C109 PolarHBondContact O-N 3.45Å; L106-F110 HydrophobicContact CD1-CD2 4.23Å; L106-F110 HydrophobicContact CD1-CE2 3.68Å; L106-F110 HydrophobicContact CD1-CZ 4.22Å; L106-F110 HydrophobicContact CD2-CE2 4.07Å; L106-F110 HydrophobicContact CG-CD2 3.94Å; L106-F110 HydrophobicContact CG-CE2 3.58Å; L106-F110 WeakPolarHBondContact O-CD2 3.43Å; L106-F110 PolarHBondContact O-N 2.93Å; L106-F110 VanDerWaalsContact O-N 3.08Å; L106-A133 HydrophobicContact CB-CB 4.27Å; L106-A133 HydrophobicContact CD2-CB 4.25Å; L106-A133 HydrophobicContact CG-CB 4.32Å |
| 107 | G | 89.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y103 V104 T105 F110 L111 A130 | Y103-G107 PolarHBondContact O-N 3.45Å; V104-G107 PolarHBondContact O-N 3.15Å; T105-G107 PolarHBondContact O-N 3.46Å; G107-F110 PolarHBondContact O-N 3.13Å; G107-L111 WeakPolarHBondContact O-CB 3.02Å; G107-L111 PolarHBondContact O-N 3.47Å; G107-A130 WeakPolarHBondContact O-CB 3.38Å |
| 108 | R | 87.9 | Confident | 87.4 | Confident | 10 Ų | 10 | 29.4 Ų | 29.4 | 4% | 0.038 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 176.5 | -70.5 | 176.7 | 65 | -138.6 | -0.6 | 112.6 | V104 T105 L106 F110 L111 N112 | V104-R108 PolarHBondContact O-N 2.98Å; V104-R108 VanDerWaalsContact O-N 3.1Å; T105-R108 WeakPolarHBondContact O-CB 3.32Å; T105-R108 PolarHBondContact O-N 3.33Å; T105-R108 VanDerWaalsContact O-N 3.16Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.43Å; R108-F110 VanDerWaalsContact C-N 3.3Å; R108-F110 PolarHBondContact O-N 2.98Å; R108-L111 PolarHBondContact O-N 3.37Å; R108-N112 PolarHBondContact O-N 3.02Å |
| 109 | C | 86.9 | Confident | 87 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 177.1 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | I71 I80 T83 T105 L106 R113 | I71-C109 VanDerWaalsContact CD1-SG 3.59Å; I80-C109 HydrophobicContact CG1-CB 3.78Å; T83-C109 PolarHBondContact OG1-SG 3.5Å; T83-C109 VanDerWaalsContact OG1-SG 3.34Å; T105-C109 PolarHBondContact O-N 3.25Å; T105-C109 PolarHBondContact O-SG 3.09Å; L106-C109 PolarHBondContact O-N 3.45Å; C109-R113 WeakPolarHBondContact O-CB 3.43Å; C109-R113 PolarHBondContact O-N 3.4Å; C109-R113 VanDerWaalsContact O-N 3.09Å |
| 110 | F | 90.8 | Very high | 86.6 | Confident | 27 Ų | 27 | 28.1 Ų | 28.1 | 12% | 0.118 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.3 | -33.9 | 179.1 | -77 | -53.7 | 0 | 0 | 0 | 113.6 | I80 L106 G107 R108 S126 A130 | I80-F110 HydrophobicContact CD1-CD1 3.73Å; I80-F110 HydrophobicContact CD1-CE1 3.64Å; I80-F110 HydrophobicContact CG1-CD1 4.35Å; I80-F110 HydrophobicContact CG1-CE1 4.2Å; I80-F110 HydrophobicContact CG2-CE1 4.33Å; I80-F110 HydrophobicContact CG2-CZ 4.28Å; L106-F110 HydrophobicContact CD1-CD2 4.23Å; L106-F110 HydrophobicContact CD1-CE2 3.68Å; L106-F110 HydrophobicContact CD1-CZ 4.22Å; L106-F110 HydrophobicContact CD2-CE2 4.07Å; L106-F110 HydrophobicContact CG-CD2 3.94Å; L106-F110 HydrophobicContact CG-CE2 3.58Å; L106-F110 WeakPolarHBondContact O-CD2 3.43Å; L106-F110 PolarHBondContact O-N 2.93Å; L106-F110 VanDerWaalsContact O-N 3.08Å; G107-F110 PolarHBondContact O-N 3.13Å; R108-F110 VanDerWaalsContact C-N 3.3Å; R108-F110 PolarHBondContact O-N 2.98Å; F110-S126 PolarHBondContact O-OG 2.8Å; F110-A130 HydrophobicContact CB-CB 3.65Å |
| 111 | L | 88.4 | Confident | 86.1 | Confident | 11 Ų | 11 | 30.9 Ų | 30.9 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.6 | -46.9 | 177 | -175.2 | 52.7 | 0 | 0 | 0 | 111.2 | G107 R108 R113 V114 L127 A130 H166 V167 A170 L596 | G107-L111 WeakPolarHBondContact O-CB 3.02Å; G107-L111 PolarHBondContact O-N 3.47Å; R108-L111 PolarHBondContact O-N 3.37Å; L111-R113 VanDerWaalsContact C-N 3.28Å; L111-R113 PolarHBondContact O-N 2.93Å; L111-V114 WeakPolarHBondContact O-CB 3.4Å; L111-V114 WeakPolarHBondContact O-CG2 3.24Å; L111-V114 PolarHBondContact O-N 3.01Å; L111-V114 VanDerWaalsContact O-N 3.07Å; L111-L127 HydrophobicContact CD1-CD2 3.5Å; L111-A130 HydrophobicContact CB-CB 4.49Å; L111-H166 HydrophobicContact CD2-CB 3.88Å; L111-V167 HydrophobicContact CB-CG2 4.28Å; L111-V167 HydrophobicContact CD1-CG2 4.36Å; L111-V167 HydrophobicContact CD2-CB 4.45Å; L111-V167 HydrophobicContact CD2-CG2 3.64Å; L111-V167 HydrophobicContact CG-CG2 4.34Å; L111-A170 HydrophobicContact CD1-CB 3.84Å; L111-L596 HydrophobicContact CB-CD2 4.28Å; L111-L596 HydrophobicContact CD2-CD1 3.66Å; L111-L596 HydrophobicContact CD2-CD2 3.09Å; L111-L596 HydrophobicContact CD2-CG 3.95Å; L111-L596 HydrophobicContact CG-CD2 3.41Å; L111-L596 VanDerWaalsContact CG-CD2 3.41Å |
| 112 | N | 82.9 | Confident | 85.8 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.9 | -32.5 | 178.3 | -66.7 | -1.4 | 0 | 0 | 0 | 112.3 | I71 F76 R108 V114 E115 | I71-N112 WeakPolarHBondContact CG2-ND2 3.44Å; F76-N112 HydrophobicContact CD1-CB 3.98Å; F76-N112 HydrophobicContact CE1-CB 3.47Å; F76-N112 VanDerWaalsContact CE1-CB 3.47Å; F76-N112 HydrophobicContact CZ-CB 4.05Å; F76-N112 WeakPolarHBondContact CZ-O 3.25Å; R108-N112 PolarHBondContact O-N 3.02Å; N112-V114 PolarHBondContact O-N 3.34Å; N112-V114 VanDerWaalsContact O-N 3.13Å; N112-E115 PolarHBondContact O-N 2.61Å |
| 113 | R | 85.8 | Confident | 85.5 | Confident | 65 Ų | 65 | 30.5 Ų | 30.5 | 25% | 0.245 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -59.7 | -22.4 | 173.9 | -170.2 | 174.8 | 65.8 | 152.6 | 1.9 | 113.9 | F76 C109 L111 E115 S116 L117 S126 | F76-R113 HydrophobicContact CB-CB 3.76Å; F76-R113 HydrophobicContact CB-CG 3.86Å; F76-R113 HydrophobicContact CD2-CB 4.12Å; F76-R113 HydrophobicContact CD2-CG 4.25Å; F76-R113 HydrophobicContact CG-CB 3.93Å; F76-R113 HydrophobicContact CG-CG 4.3Å; C109-R113 WeakPolarHBondContact O-CB 3.43Å; C109-R113 PolarHBondContact O-N 3.4Å; C109-R113 VanDerWaalsContact O-N 3.09Å; L111-R113 VanDerWaalsContact C-N 3.28Å; L111-R113 PolarHBondContact O-N 2.93Å; R113-E115 PolarHBondContact O-N 2.93Å; R113-S116 PolarHBondContact O-N 3.12Å; R113-S116 PolarHBondContact O-OG 3.31Å; R113-S116 VanDerWaalsContact O-OG 3.07Å; R113-L117 HydrophobicContact CG-CD1 4.31Å; R113-L117 HydrophobicContact CG-CG 4.45Å; R113-L117 WeakPolarHBondContact O-CG 3.31Å; R113-S126 PolarHBondContact NE-OG 3.5Å; R113-S126 VanDerWaalsContact NE-OG 3.07Å; R113-S126 PolarHBondContact NH2-OG 3.11Å |
| 114 | V | 82 | Confident | 85.1 | Confident | 23 Ų | 23 | 29.3 Ų | 29.3 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -58.4 | -33.9 | -176.6 | 167.1 | 0 | 0 | 0 | 0 | 112.2 | L111 N112 L117 I123 L127 | L111-V114 WeakPolarHBondContact O-CB 3.4Å; L111-V114 WeakPolarHBondContact O-CG2 3.24Å; L111-V114 PolarHBondContact O-N 3.01Å; L111-V114 VanDerWaalsContact O-N 3.07Å; N112-V114 PolarHBondContact O-N 3.34Å; N112-V114 VanDerWaalsContact O-N 3.13Å; V114-L117 PolarHBondContact O-N 2.87Å; V114-I123 HydrophobicContact CG1-CB 4.42Å; V114-I123 HydrophobicContact CG1-CG1 4.17Å; V114-I123 HydrophobicContact CG1-CG2 3.63Å; V114-I123 HydrophobicContact CG2-CG2 4.41Å; V114-L127 HydrophobicContact CG2-CD2 3.7Å; V114-L127 HydrophobicContact CG2-CG 3.73Å |
| 115 | E | 70.8 | Confident | 84.9 | Confident | 73 Ų | 73 | 36 Ų | 36 | 34% | 0.341 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -78.8 | -26 | -172.5 | -64.5 | 162.4 | -171.6 | 0 | 0 | 113.5 | N112 R113 L117 L598 | N112-E115 PolarHBondContact O-N 2.61Å; R113-E115 PolarHBondContact O-N 2.93Å; E115-L117 PolarHBondContact O-N 2.74Å; E115-L598 HydrophobicContact CG-CB 4.42Å; E115-L598 WeakPolarHBondContact OE1-CB 3.02Å; E115-L598 WeakPolarHBondContact OE1-CD1 3.18Å; E115-L598 VanDerWaalsContact OE1-CG 3.22Å; E115-L598 WeakPolarHBondContact OE1-CG 3.46Å; E115-L598 PolarHBondContact OE1-N 2.94Å; E115-L598 VanDerWaalsContact OE2-CB 3.28Å; E115-L598 WeakPolarHBondContact OE2-CB 3.49Å; E115-L598 WeakPolarHBondContact OE2-CD1 3.22Å; E115-L598 WeakPolarHBondContact OE2-CG 3.29Å |
| 116 | S | 75.4 | Confident | 84.9 | Confident | 75 Ų | 75 | 35.9 Ų | 35.9 | 52% | 0.524 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -79.8 | -7.6 | 172.6 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | R113 | R113-S116 PolarHBondContact O-N 3.12Å; R113-S116 PolarHBondContact O-OG 3.31Å; R113-S116 VanDerWaalsContact O-OG 3.07Å |
| 117 | L | 82 | Confident | 85 | Confident | 34 Ų | 34 | 35.7 Ų | 35.7 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | trans | -94.9 | 131.8 | -178.4 | -65.4 | 171.6 | 0 | 0 | 0 | 110 | R113 V114 E115 L122 I123 | R113-L117 HydrophobicContact CG-CD1 4.31Å; R113-L117 HydrophobicContact CG-CG 4.45Å; R113-L117 WeakPolarHBondContact O-CG 3.31Å; V114-L117 PolarHBondContact O-N 2.87Å; E115-L117 PolarHBondContact O-N 2.74Å; L117-L122 HydrophobicContact CD1-CB 4.07Å; L117-L122 HydrophobicContact CD2-CB 4.24Å; L117-L122 HydrophobicContact CD2-CD1 4.21Å; L117-I123 HydrophobicContact CB-CD1 4.47Å; L117-I123 HydrophobicContact CB-CG1 3.72Å; L117-I123 HydrophobicContact CD1-CG1 4.39Å | ||
| 118 | K | 81.7 | Confident | 85.1 | Confident | 95 Ų | 95 | 40.6 Ų | 40.6 | 41% | 0.413 | 20% | 0.204 | S | C | . | . | trans | -98.9 | 8.2 | 176.7 | -69.2 | 178.3 | 169.4 | -167.8 | 0 | 113.8 | R436 E492 D495 | K118-R436 WeakPolarHBondContact O-CD 3.49Å; K118-R436 WeakPolarHBondContact O-CG 3.4Å; K118-E492 IonicContact NZ-OE1 3.79Å; K118-E492 PolarHBondContact NZ-OE1 3.38Å; K118-D495 WeakPolarHBondContact CD-OD2 3.42Å; K118-D495 IonicContact NZ-OD2 3.78Å | ||
| 119 | D | 83.3 | Confident | 85.3 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.032 | 22% | 0.216 | C | C | . | . | trans | -125.9 | 122.1 | -172 | -175.7 | -71.7 | 0 | 0 | 0 | 112.4 | S121 L122 I123 R436 Q499 Y500 | D119-S121 VanDerWaalsContact C-N 3.27Å; D119-S121 PolarHBondContact O-N 3.47Å; D119-S121 WeakPolarHBondContact OD1-CA 3.31Å; D119-S121 WeakPolarHBondContact OD1-CB 3.29Å; D119-S121 PolarHBondContact OD1-N 2.94Å; D119-L122 HydrophobicContact CB-CB 4.24Å; D119-L122 HydrophobicContact CB-CD1 4.15Å; D119-L122 HydrophobicContact CB-CG 4.2Å; D119-L122 PolarHBondContact O-N 3.32Å; D119-L122 PolarHBondContact OD1-N 2.93Å; D119-L122 VanDerWaalsContact OD1-N 3.11Å; D119-I123 WeakPolarHBondContact O-CB 3.15Å; D119-I123 VanDerWaalsContact O-CG1 3.24Å; D119-I123 WeakPolarHBondContact O-CG1 3.31Å; D119-I123 PolarHBondContact O-N 2.98Å; D119-R436 WeakPolarHBondContact CA-O 3.23Å; D119-Q499 PolarHBondContact OD2-NE2 3.49Å; D119-Y500 PolarHBondContact OD2-OH 3.24Å | ||
| 120 | G | 85.5 | Confident | 85.6 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -32 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S124 R436 L437 | G120-S124 VanDerWaalsContact O-CB 3.26Å; G120-S124 WeakPolarHBondContact O-CB 3.42Å; G120-S124 PolarHBondContact O-N 3.12Å; G120-R436 PolarHBondContact N-O 3.45Å; G120-L437 WeakPolarHBondContact CA-O 3.38Å |
| 121 | S | 83.8 | Confident | 85.9 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.4 | -44.6 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | D119 S124 K125 | D119-S121 VanDerWaalsContact C-N 3.27Å; D119-S121 PolarHBondContact O-N 3.47Å; D119-S121 WeakPolarHBondContact OD1-CA 3.31Å; D119-S121 WeakPolarHBondContact OD1-CB 3.29Å; D119-S121 PolarHBondContact OD1-N 2.94Å; S121-S124 PolarHBondContact O-N 3.04Å; S121-K125 WeakPolarHBondContact O-CB 3.28Å; S121-K125 PolarHBondContact O-N 2.94Å |
| 122 | L | 84.8 | Confident | 86.2 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 175.4 | -66.3 | -179.1 | 0 | 0 | 0 | 111.8 | L117 D119 K125 S126 Q499 | L117-L122 HydrophobicContact CD1-CB 4.07Å; L117-L122 HydrophobicContact CD2-CB 4.24Å; L117-L122 HydrophobicContact CD2-CD1 4.21Å; D119-L122 HydrophobicContact CB-CB 4.24Å; D119-L122 HydrophobicContact CB-CD1 4.15Å; D119-L122 HydrophobicContact CB-CG 4.2Å; D119-L122 PolarHBondContact O-N 3.32Å; D119-L122 PolarHBondContact OD1-N 2.93Å; D119-L122 VanDerWaalsContact OD1-N 3.11Å; L122-K125 PolarHBondContact O-N 3.37Å; L122-S126 WeakPolarHBondContact O-CB 3.34Å; L122-S126 PolarHBondContact O-N 3.11Å; L122-Q499 HydrophobicContact CD1-CG 4.49Å |
| 123 | I | 85.9 | Confident | 86.7 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.4 | -52.6 | 173.3 | -70.9 | 167.6 | 0 | 0 | 0 | 109.8 | V114 L117 D119 K125 S126 L127 L437 | V114-I123 HydrophobicContact CG1-CB 4.42Å; V114-I123 HydrophobicContact CG1-CG1 4.17Å; V114-I123 HydrophobicContact CG1-CG2 3.63Å; V114-I123 HydrophobicContact CG2-CG2 4.41Å; L117-I123 HydrophobicContact CB-CD1 4.47Å; L117-I123 HydrophobicContact CB-CG1 3.72Å; L117-I123 HydrophobicContact CD1-CG1 4.39Å; D119-I123 WeakPolarHBondContact O-CB 3.15Å; D119-I123 VanDerWaalsContact O-CG1 3.24Å; D119-I123 WeakPolarHBondContact O-CG1 3.31Å; D119-I123 PolarHBondContact O-N 2.98Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 3.02Å; I123-S126 WeakPolarHBondContact O-CB 3.49Å; I123-S126 PolarHBondContact O-N 3.46Å; I123-S126 VanDerWaalsContact O-N 3.11Å; I123-L127 HydrophobicContact CG2-CD1 3.8Å; I123-L127 HydrophobicContact CG2-CG 4.38Å; I123-L127 WeakPolarHBondContact O-CG 3.31Å; I123-L127 PolarHBondContact O-N 3.24Å; I123-L437 HydrophobicContact CD1-CD2 3.77Å |
| 124 | S | 88 | Confident | 87.2 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.9 | -42.6 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | G120 S121 L127 K128 | G120-S124 VanDerWaalsContact O-CB 3.26Å; G120-S124 WeakPolarHBondContact O-CB 3.42Å; G120-S124 PolarHBondContact O-N 3.12Å; S121-S124 PolarHBondContact O-N 3.04Å; S124-L127 PolarHBondContact O-N 3.22Å; S124-K128 WeakPolarHBondContact O-CB 3.16Å; S124-K128 VanDerWaalsContact O-CG 3.31Å; S124-K128 WeakPolarHBondContact O-CG 3.48Å; S124-K128 PolarHBondContact O-N 2.71Å |
| 125 | K | 88.4 | Confident | 87.8 | Confident | 141 Ų | 141 | 46 Ų | 46 | 61% | 0.613 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.4 | -41.6 | 176.2 | -171.6 | 178.2 | -178.4 | 178.8 | 0 | 112 | S121 L122 I123 S129 | S121-K125 WeakPolarHBondContact O-CB 3.28Å; S121-K125 PolarHBondContact O-N 2.94Å; L122-K125 PolarHBondContact O-N 3.37Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 3.02Å; K125-S129 PolarHBondContact O-N 3.27Å; K125-S129 VanDerWaalsContact O-N 3.07Å; K125-S129 PolarHBondContact O-OG 2.88Å |
| 126 | S | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 176.7 | -153.7 | 0 | 0 | 0 | 0 | 110.8 | F110 R113 L122 I123 K128 S129 A130 | F110-S126 PolarHBondContact O-OG 2.8Å; R113-S126 PolarHBondContact NE-OG 3.5Å; R113-S126 VanDerWaalsContact NE-OG 3.07Å; R113-S126 PolarHBondContact NH2-OG 3.11Å; L122-S126 WeakPolarHBondContact O-CB 3.34Å; L122-S126 PolarHBondContact O-N 3.11Å; I123-S126 WeakPolarHBondContact O-CB 3.49Å; I123-S126 PolarHBondContact O-N 3.46Å; I123-S126 VanDerWaalsContact O-N 3.11Å; S126-K128 PolarHBondContact O-N 2.84Å; S126-S129 WeakPolarHBondContact O-CB 3.24Å; S126-S129 PolarHBondContact O-N 3.16Å; S126-S129 VanDerWaalsContact O-N 3.12Å; S126-A130 PolarHBondContact O-N 3.03Å |
| 127 | L | 91.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 177.7 | -71.5 | 172.7 | 0 | 0 | 0 | 113 | L111 V114 I123 S124 S129 A130 N131 V167 A170 Q171 | L111-L127 HydrophobicContact CD1-CD2 3.5Å; V114-L127 HydrophobicContact CG2-CD2 3.7Å; V114-L127 HydrophobicContact CG2-CG 3.73Å; I123-L127 HydrophobicContact CG2-CD1 3.8Å; I123-L127 HydrophobicContact CG2-CG 4.38Å; I123-L127 WeakPolarHBondContact O-CG 3.31Å; I123-L127 PolarHBondContact O-N 3.24Å; S124-L127 PolarHBondContact O-N 3.22Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 3.11Å; L127-A130 WeakPolarHBondContact O-CB 3.17Å; L127-A130 PolarHBondContact O-N 3.07Å; L127-N131 WeakPolarHBondContact O-CB 3.49Å; L127-N131 PolarHBondContact O-N 2.61Å; L127-V167 HydrophobicContact CD2-CG1 4.35Å; L127-A170 HydrophobicContact CD1-CB 4.26Å; L127-A170 WeakPolarHBondContact CD1-O 3.33Å; L127-A170 HydrophobicContact CD2-CB 3.62Å; L127-Q171 VanDerWaalsContact C-NE2 3.33Å; L127-Q171 HydrophobicContact CB-CG 3.61Å; L127-Q171 HydrophobicContact CD1-CG 3.89Å; L127-Q171 HydrophobicContact CD2-CG 4.41Å; L127-Q171 HydrophobicContact CG-CG 4.19Å; L127-Q171 PolarHBondContact O-NE2 2.99Å |
| 128 | K | 92 | Very high | 90.4 | Very high | 105 Ų | 105 | 40.7 Ų | 40.7 | 46% | 0.457 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 173.1 | -76.6 | 174.4 | -174.5 | 172.7 | 0 | 111.5 | S124 S126 N131 Q132 N441 | S124-K128 WeakPolarHBondContact O-CB 3.16Å; S124-K128 VanDerWaalsContact O-CG 3.31Å; S124-K128 WeakPolarHBondContact O-CG 3.48Å; S124-K128 PolarHBondContact O-N 2.71Å; S126-K128 PolarHBondContact O-N 2.84Å; K128-N131 PolarHBondContact O-N 3.32Å; K128-Q132 WeakPolarHBondContact O-CB 3.28Å; K128-Q132 PolarHBondContact O-N 3.39Å; K128-N441 PolarHBondContact NZ-ND2 3.46Å |
| 129 | S | 92.8 | Very high | 90.9 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66 | -41.5 | 176.4 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | K125 S126 L127 Q132 A133 | K125-S129 PolarHBondContact O-N 3.27Å; K125-S129 VanDerWaalsContact O-N 3.07Å; K125-S129 PolarHBondContact O-OG 2.88Å; S126-S129 WeakPolarHBondContact O-CB 3.24Å; S126-S129 PolarHBondContact O-N 3.16Å; S126-S129 VanDerWaalsContact O-N 3.12Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 3.11Å; S129-Q132 PolarHBondContact O-N 2.9Å; S129-A133 WeakPolarHBondContact O-CB 3.32Å; S129-A133 PolarHBondContact O-N 3.14Å |
| 130 | A | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G107 F110 L111 S126 L127 A133 L134 V167 | G107-A130 WeakPolarHBondContact O-CB 3.38Å; F110-A130 HydrophobicContact CB-CB 3.65Å; L111-A130 HydrophobicContact CB-CB 4.49Å; S126-A130 PolarHBondContact O-N 3.03Å; L127-A130 WeakPolarHBondContact O-CB 3.17Å; L127-A130 PolarHBondContact O-N 3.07Å; A130-A133 PolarHBondContact O-N 3.24Å; A130-L134 WeakPolarHBondContact O-CG 3.44Å; A130-L134 PolarHBondContact O-N 2.83Å; A130-L134 VanDerWaalsContact O-N 3.12Å; A130-V167 HydrophobicContact CB-CG1 3.96Å; A130-V167 HydrophobicContact CB-CG2 3.65Å |
| 131 | N | 95.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 179.5 | -169.9 | -34 | 0 | 0 | 0 | 110.3 | L127 K128 A133 L134 L135 V167 Q171 | L127-N131 WeakPolarHBondContact O-CB 3.49Å; L127-N131 PolarHBondContact O-N 2.61Å; K128-N131 PolarHBondContact O-N 3.32Å; N131-A133 VanDerWaalsContact C-N 3.32Å; N131-A133 PolarHBondContact O-N 3.13Å; N131-L134 PolarHBondContact O-N 3.06Å; N131-L134 VanDerWaalsContact O-N 3.16Å; N131-L135 WeakPolarHBondContact O-CG 3.45Å; N131-L135 PolarHBondContact O-N 3.04Å; N131-L135 VanDerWaalsContact OD1-CD1 3.27Å; N131-L135 WeakPolarHBondContact OD1-CD1 3.25Å; N131-L135 WeakPolarHBondContact OD1-CG 3.31Å; N131-V167 HydrophobicContact CB-CG1 3.79Å; N131-Q171 PolarHBondContact ND2-OE1 3.1Å |
| 132 | Q | 94.6 | Very high | 91.6 | Very high | 106 Ų | 106 | 47.4 Ų | 47.4 | 50% | 0.495 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 178.4 | -172.6 | 61.6 | 43.4 | 0 | 0 | 112.6 | K128 S129 L134 L135 N136 | K128-Q132 WeakPolarHBondContact O-CB 3.28Å; K128-Q132 PolarHBondContact O-N 3.39Å; S129-Q132 PolarHBondContact O-N 2.9Å; Q132-L134 VanDerWaalsContact C-N 3.35Å; Q132-L134 PolarHBondContact O-N 3.36Å; Q132-L135 PolarHBondContact O-N 2.87Å; Q132-N136 PolarHBondContact NE2-OD1 2.77Å; Q132-N136 WeakPolarHBondContact O-CB 3.42Å; Q132-N136 PolarHBondContact O-N 2.96Å; Q132-N136 PolarHBondContact O-ND2 3.29Å; Q132-N136 PolarHBondContact O-OD1 3.07Å |
| 133 | A | 93.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y103 L106 S129 A130 N131 N136 S137 | Y103-A133 WeakPolarHBondContact CB-O 3.42Å; Y103-A133 HydrophobicContact CD1-CB 4.33Å; L106-A133 HydrophobicContact CB-CB 4.27Å; L106-A133 HydrophobicContact CD2-CB 4.25Å; L106-A133 HydrophobicContact CG-CB 4.32Å; S129-A133 WeakPolarHBondContact O-CB 3.32Å; S129-A133 PolarHBondContact O-N 3.14Å; A130-A133 PolarHBondContact O-N 3.24Å; N131-A133 VanDerWaalsContact C-N 3.32Å; N131-A133 PolarHBondContact O-N 3.13Å; A133-N136 PolarHBondContact O-N 2.89Å; A133-S137 PolarHBondContact O-N 3.32Å |
| 134 | L | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.3 | -35.5 | 179.8 | -67.3 | 166.8 | 0 | 0 | 0 | 113 | V104 A130 N131 Q132 S137 I138 N163 L164 V167 | V104-L134 HydrophobicContact CG1-CD2 4.42Å; A130-L134 WeakPolarHBondContact O-CG 3.44Å; A130-L134 PolarHBondContact O-N 2.83Å; A130-L134 VanDerWaalsContact O-N 3.12Å; N131-L134 PolarHBondContact O-N 3.06Å; N131-L134 VanDerWaalsContact O-N 3.16Å; Q132-L134 VanDerWaalsContact C-N 3.35Å; Q132-L134 PolarHBondContact O-N 3.36Å; L134-S137 VanDerWaalsContact O-CB 3.31Å; L134-S137 WeakPolarHBondContact O-CB 3.45Å; L134-S137 PolarHBondContact O-N 3.05Å; L134-I138 WeakPolarHBondContact O-CG1 3.22Å; L134-I138 PolarHBondContact O-N 3.46Å; L134-N163 HydrophobicContact CD1-CB 3.9Å; L134-N163 HydrophobicContact CD2-CB 3.72Å; L134-N163 HydrophobicContact CG-CB 4.5Å; L134-L164 HydrophobicContact CB-CB 4.29Å; L134-L164 HydrophobicContact CB-CD1 4.15Å; L134-L164 HydrophobicContact CD1-CB 4.3Å; L134-V167 HydrophobicContact CD1-CB 4.36Å; L134-V167 HydrophobicContact CD1-CG2 3.52Å |
| 135 | L | 95.1 | Very high | 91.3 | Very high | 75 Ų | 75 | 50.4 Ų | 50.4 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.1 | -42 | 171.3 | -70.9 | 176.5 | 0 | 0 | 0 | 111.7 | N131 Q132 S137 I138 K139 L164 | N131-L135 WeakPolarHBondContact O-CG 3.45Å; N131-L135 PolarHBondContact O-N 3.04Å; N131-L135 VanDerWaalsContact OD1-CD1 3.27Å; N131-L135 WeakPolarHBondContact OD1-CD1 3.25Å; N131-L135 WeakPolarHBondContact OD1-CG 3.31Å; Q132-L135 PolarHBondContact O-N 2.87Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 3.36Å; L135-I138 PolarHBondContact O-N 3.43Å; L135-K139 WeakPolarHBondContact O-CB 3.41Å; L135-K139 PolarHBondContact O-N 3.49Å; L135-L164 HydrophobicContact CD2-CD2 4.02Å |
| 136 | N | 94.1 | Very high | 90.5 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 174.3 | -70.1 | -13.2 | 0 | 0 | 0 | 111.6 | Y103 Q132 A133 K139 L140 | Y103-N136 HydrophobicContact CD1-CB 3.85Å; Y103-N136 HydrophobicContact CD2-CB 4.31Å; Y103-N136 HydrophobicContact CE1-CB 3.8Å; Y103-N136 HydrophobicContact CE2-CB 4.28Å; Y103-N136 HydrophobicContact CG-CB 4.11Å; Q132-N136 PolarHBondContact NE2-OD1 2.77Å; Q132-N136 WeakPolarHBondContact O-CB 3.42Å; Q132-N136 PolarHBondContact O-N 2.96Å; Q132-N136 PolarHBondContact O-ND2 3.29Å; Q132-N136 PolarHBondContact O-OD1 3.07Å; A133-N136 PolarHBondContact O-N 2.89Å; N136-K139 PolarHBondContact O-N 3.27Å; N136-L140 WeakPolarHBondContact O-CB 3.43Å; N136-L140 PolarHBondContact O-N 3.39Å |
| 137 | S | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.7 | -49.5 | 172.7 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | Q100 V104 A133 L134 L135 K139 L140 I141 S160 | Q100-S137 PolarHBondContact NE2-OG 3.39Å; Q100-S137 PolarHBondContact O-OG 3.1Å; V104-S137 WeakPolarHBondContact CG2-OG 3.19Å; A133-S137 PolarHBondContact O-N 3.32Å; L134-S137 VanDerWaalsContact O-CB 3.31Å; L134-S137 WeakPolarHBondContact O-CB 3.45Å; L134-S137 PolarHBondContact O-N 3.05Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 3.36Å; S137-K139 VanDerWaalsContact C-N 3.33Å; S137-K139 PolarHBondContact O-N 3.3Å; S137-L140 PolarHBondContact O-N 2.65Å; S137-I141 WeakPolarHBondContact O-CG1 3.18Å; S137-I141 PolarHBondContact O-N 3.29Å; S137-S160 PolarHBondContact OG-OG 3.21Å |
| 138 | I | 93.5 | Very high | 89.5 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 180 | -67.6 | 169 | 0 | 0 | 0 | 111.4 | L134 L135 I141 L161 L164 | L134-I138 WeakPolarHBondContact O-CG1 3.22Å; L134-I138 PolarHBondContact O-N 3.46Å; L135-I138 PolarHBondContact O-N 3.43Å; I138-I141 PolarHBondContact O-N 3.34Å; I138-L161 HydrophobicContact CD1-CD2 3.97Å; I138-L161 HydrophobicContact CD1-CG 4.31Å; I138-L164 HydrophobicContact CD1-CD2 3.75Å |
| 139 | K | 92.5 | Very high | 89.2 | Confident | 139 Ų | 139 | 58.1 Ų | 58.1 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 176.2 | -174.4 | 177.9 | 177.5 | 178.9 | 0 | 111.6 | L135 N136 S137 I141 R142 | L135-K139 WeakPolarHBondContact O-CB 3.41Å; L135-K139 PolarHBondContact O-N 3.49Å; N136-K139 PolarHBondContact O-N 3.27Å; S137-K139 VanDerWaalsContact C-N 3.33Å; S137-K139 PolarHBondContact O-N 3.3Å; K139-I141 VanDerWaalsContact C-N 3.27Å; K139-I141 PolarHBondContact O-N 3.25Å; K139-R142 PolarHBondContact O-N 2.78Å |
| 140 | L | 91.6 | Very high | 88.9 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -29.3 | 180 | -92.8 | 160 | 0 | 0 | 0 | 114 | Q99 Q100 Y103 N136 S137 R142 E143 L144 | Q99-L140 HydrophobicContact CB-CD1 4.3Å; Q100-L140 HydrophobicContact CB-CB 4.43Å; Y103-L140 HydrophobicContact CD2-CD1 3.4Å; Y103-L140 HydrophobicContact CE2-CD1 3.37Å; N136-L140 WeakPolarHBondContact O-CB 3.43Å; N136-L140 PolarHBondContact O-N 3.39Å; S137-L140 PolarHBondContact O-N 2.65Å; L140-R142 PolarHBondContact O-N 2.94Å; L140-E143 PolarHBondContact O-N 2.88Å; L140-L144 PolarHBondContact O-N 2.74Å |
| 141 | I | 91.1 | Very high | 88.8 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.7 | -34.2 | -179.6 | -67.9 | 169.9 | 0 | 0 | 0 | 111.7 | Q100 S137 I138 K139 E143 L144 M156 R157 | Q100-I141 HydrophobicContact CG-CD1 4.46Å; Q100-I141 HydrophobicContact CG-CG1 3.83Å; S137-I141 WeakPolarHBondContact O-CG1 3.18Å; S137-I141 PolarHBondContact O-N 3.29Å; I138-I141 PolarHBondContact O-N 3.34Å; K139-I141 VanDerWaalsContact C-N 3.27Å; K139-I141 PolarHBondContact O-N 3.25Å; I141-E143 PolarHBondContact O-N 3.08Å; I141-L144 HydrophobicContact CB-CD1 4.33Å; I141-L144 HydrophobicContact CG1-CD1 4.32Å; I141-L144 HydrophobicContact CG2-CD1 4.26Å; I141-L144 WeakPolarHBondContact O-CB 3.44Å; I141-L144 PolarHBondContact O-N 3.47Å; I141-M156 HydrophobicContact CD1-CB 4.17Å; I141-R157 VanDerWaalsContact CD1-CA 3.45Å; I141-R157 HydrophobicContact CD1-CB 3.8Å; I141-R157 HydrophobicContact CD1-CG 4.31Å |
| 142 | R | 85.4 | Confident | 88.4 | Confident | 136 Ų | 136 | 67.3 Ų | 67.3 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.7 | 178 | -60.8 | -177.9 | -172.5 | -163.5 | -2.8 | 113.2 | K139 L140 D1054 | K139-R142 PolarHBondContact O-N 2.78Å; L140-R142 PolarHBondContact O-N 2.94Å; R142-D1054 PolarHBondContact NH1-O 3.34Å; R142-D1054 PolarHBondContact NH2-O 3.09Å |
| 143 | E | 87.2 | Confident | 88.1 | Confident | 91 Ų | 91 | 63.9 Ų | 63.9 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 5.9 | -177.4 | -46.2 | -177.6 | -173.6 | 0 | 0 | 113.2 | K96 L140 I141 | K96-E143 HydrophobicContact CD-CB 4.15Å; K96-E143 WeakPolarHBondContact CD-O 3.44Å; K96-E143 VanDerWaalsContact NZ-CB 3.27Å; K96-E143 PolarHBondContact NZ-O 3.37Å; K96-E143 IonicContact NZ-OE2 3.06Å; K96-E143 PolarHBondContact NZ-OE2 3.46Å; L140-E143 PolarHBondContact O-N 2.88Å; I141-E143 PolarHBondContact O-N 3.08Å |
| 144 | L | 87 | Confident | 88 | Confident | 20 Ų | 20 | 64 Ų | 64 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -66.2 | 150.9 | 176.6 | -71.2 | 176.1 | 0 | 0 | 0 | 110.9 | K96 I97 L140 I141 L148 M156 | K96-L144 HydrophobicContact CB-CD2 3.87Å; I97-L144 HydrophobicContact CB-CD2 4.47Å; I97-L144 HydrophobicContact CG1-CD2 3.8Å; L140-L144 PolarHBondContact O-N 2.74Å; I141-L144 HydrophobicContact CB-CD1 4.33Å; I141-L144 HydrophobicContact CG1-CD1 4.32Å; I141-L144 HydrophobicContact CG2-CD1 4.26Å; I141-L144 WeakPolarHBondContact O-CB 3.44Å; I141-L144 PolarHBondContact O-N 3.47Å; L144-L148 HydrophobicContact CB-CD1 4.02Å; L144-L148 HydrophobicContact CD1-CD1 4.16Å; L144-L148 HydrophobicContact CD2-CD1 4.49Å; L144-L148 HydrophobicContact CG-CD1 4.45Å; L144-M156 HydrophobicContact CD1-SD 3.82Å |
| 145 | P | 77.1 | Confident | 87.8 | Confident | 63 Ų | 63 | 68.4 Ų | 68.4 | 41% | 0.409 | 35% | 0.354 | S | S | . | . | trans | -61.4 | 144.2 | -177.1 | 22.2 | -31.2 | 0 | 0 | 0 | 111.7 | N147 L148 | P145-N147 PolarHBondContact O-N 3.19Å; P145-L148 HydrophobicContact CG-CD1 4.26Å; P145-L148 PolarHBondContact O-N 3.41Å | ||
| 146 | P | 71.6 | Confident | 87.7 | Confident | 127 Ų | 127 | 66 Ų | 66 | 83% | 0.825 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.9 | -175.1 | 26.5 | -35.2 | 0 | 0 | 0 | 114.1 | L148 | P146-L148 PolarHBondContact O-N 3.35Š|
| 147 | N | 78.9 | Confident | 87.7 | Confident | 158 Ų | 158 | 67.8 Ų | 67.8 | 85% | 0.845 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.2 | 179.8 | -58.8 | 5.2 | 0 | 0 | 0 | 113.2 | P145 | P145-N147 PolarHBondContact O-N 3.19Š|
| 148 | L | 82.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 18% | 0.178 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -76.4 | 127.8 | 174.6 | -111 | 142.1 | 0 | 0 | 0 | 109.8 | I97 L144 P145 P146 D150 M156 | I97-L148 HydrophobicContact CD1-CD1 3.61Å; I97-L148 HydrophobicContact CD1-CG 4.47Å; I97-L148 HydrophobicContact CG1-CD1 3.8Å; L144-L148 HydrophobicContact CB-CD1 4.02Å; L144-L148 HydrophobicContact CD1-CD1 4.16Å; L144-L148 HydrophobicContact CD2-CD1 4.49Å; L144-L148 HydrophobicContact CG-CD1 4.45Å; P145-L148 HydrophobicContact CG-CD1 4.26Å; P145-L148 PolarHBondContact O-N 3.41Å; P146-L148 PolarHBondContact O-N 3.35Å; L148-D150 PolarHBondContact O-N 3.27Å; L148-M156 HydrophobicContact CD2-CE 3.83Å |
| 149 | D | 85.8 | Confident | 87.7 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | trans | -54.9 | 135.4 | 172.1 | 170 | 28.6 | 0 | 0 | 0 | 110.8 | K151 S152 S153 | D149-K151 PolarHBondContact O-N 3.2Å; D149-K151 VanDerWaalsContact O-N 3.17Å; D149-K151 PolarHBondContact OD1-N 3.48Å; D149-K151 WeakPolarHBondContact OD2-CB 3.42Å; D149-S152 WeakPolarHBondContact O-CA 3.35Å; D149-S152 WeakPolarHBondContact O-CB 3.42Å; D149-S152 PolarHBondContact O-N 3.32Å; D149-S153 PolarHBondContact O-N 2.85Å | ||
| 150 | D | 86.3 | Confident | 87.7 | Confident | 113 Ų | 113 | 61.2 Ų | 61.2 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -53.4 | -37.6 | -179.8 | -75.5 | -22 | 0 | 0 | 0 | 111.5 | L148 S153 A154 Y191 | L148-D150 PolarHBondContact O-N 3.27Å; D150-S153 PolarHBondContact O-N 3.36Å; D150-A154 VanDerWaalsContact O-CB 3.26Å; D150-A154 WeakPolarHBondContact O-CB 3.34Å; D150-A154 PolarHBondContact O-N 2.95Å; D150-Y191 HydrophobicContact CB-CE1 3.94Å |
| 151 | K | 90 | Very high | 87.9 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 177.1 | -172.7 | -179.8 | -177.8 | 178.7 | 0 | 111.8 | D149 A154 E155 Y191 L193 | D149-K151 PolarHBondContact O-N 3.2Å; D149-K151 VanDerWaalsContact O-N 3.17Å; D149-K151 PolarHBondContact OD1-N 3.48Å; D149-K151 WeakPolarHBondContact OD2-CB 3.42Å; K151-A154 PolarHBondContact O-N 2.89Å; K151-E155 WeakPolarHBondContact O-CB 3.35Å; K151-E155 PolarHBondContact O-N 3.36Å; K151-Y191 HydrophobicContact CB-CD1 4.49Å; K151-L193 HydrophobicContact CG-CD2 4.07Å |
| 152 | S | 87.4 | Confident | 88 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 178.5 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | D149 E155 M156 | D149-S152 WeakPolarHBondContact O-CA 3.35Å; D149-S152 WeakPolarHBondContact O-CB 3.42Å; D149-S152 PolarHBondContact O-N 3.32Å; S152-E155 PolarHBondContact O-N 3.44Å; S152-M156 WeakPolarHBondContact O-CG 3.25Å; S152-M156 PolarHBondContact O-N 2.95Å |
| 153 | S | 89.1 | Confident | 88.3 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 174.4 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | D149 D150 M156 R157 | D149-S153 PolarHBondContact O-N 2.85Å; D150-S153 PolarHBondContact O-N 3.36Å; S153-M156 PolarHBondContact O-N 2.7Å; S153-R157 PolarHBondContact O-N 2.84Å |
| 154 | A | 91.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D150 K151 R157 A158 Y191 | D150-A154 VanDerWaalsContact O-CB 3.26Å; D150-A154 WeakPolarHBondContact O-CB 3.34Å; D150-A154 PolarHBondContact O-N 2.95Å; K151-A154 PolarHBondContact O-N 2.89Å; A154-R157 PolarHBondContact O-N 3.43Å; A154-A158 WeakPolarHBondContact O-CB 3.38Å; A154-A158 PolarHBondContact O-N 3.18Å; A154-Y191 HydrophobicContact CB-CD1 4Å; A154-Y191 HydrophobicContact CB-CD2 3.25Å; A154-Y191 HydrophobicContact CB-CE1 4.18Å; A154-Y191 HydrophobicContact CB-CE2 3.46Å; A154-Y191 VanDerWaalsContact CB-CE2 3.46Å; A154-Y191 HydrophobicContact CB-CG 3.54Å |
| 155 | E | 92.4 | Very high | 88.9 | Confident | 94 Ų | 94 | 49.4 Ų | 49.4 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 175.3 | -173 | -179.9 | -179.7 | 0 | 0 | 111.6 | K151 S152 R157 A158 V159 L193 | K151-E155 WeakPolarHBondContact O-CB 3.35Å; K151-E155 PolarHBondContact O-N 3.36Å; S152-E155 PolarHBondContact O-N 3.44Å; E155-R157 VanDerWaalsContact C-N 3.26Å; E155-R157 PolarHBondContact O-N 3.4Å; E155-A158 PolarHBondContact O-N 3.04Å; E155-V159 WeakPolarHBondContact O-CG2 3.3Å; E155-V159 PolarHBondContact O-N 2.99Å; E155-L193 HydrophobicContact CB-CD1 3.97Å; E155-L193 HydrophobicContact CB-CD2 4.14Å; E155-L193 HydrophobicContact CG-CD1 4.41Å; E155-L193 HydrophobicContact CG-CD2 4.41Å |
| 156 | M | 92.6 | Very high | 89.5 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 174.6 | -70 | -178 | -165.9 | 0 | 0 | 111.4 | I97 I141 L144 L148 S152 S153 S160 | I97-M156 HydrophobicContact CG2-CE 3.97Å; I141-M156 HydrophobicContact CD1-CB 4.17Å; L144-M156 HydrophobicContact CD1-SD 3.82Å; L148-M156 HydrophobicContact CD2-CE 3.83Å; S152-M156 WeakPolarHBondContact O-CG 3.25Å; S152-M156 PolarHBondContact O-N 2.95Å; S153-M156 PolarHBondContact O-N 2.7Å; M156-S160 PolarHBondContact O-N 3.02Å; M156-S160 VanDerWaalsContact O-N 3.08Å; M156-S160 PolarHBondContact O-OG 3.31Å |
| 157 | R | 94.9 | Very high | 90.3 | Very high | 84 Ų | 84 | 41 Ų | 41 | 32% | 0.317 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 178.6 | -170.8 | 173.5 | 175.4 | 172.8 | -3.1 | 112.2 | I141 S153 A154 E155 V159 S160 L161 L187 | I141-R157 VanDerWaalsContact CD1-CA 3.45Å; I141-R157 HydrophobicContact CD1-CB 3.8Å; I141-R157 HydrophobicContact CD1-CG 4.31Å; S153-R157 PolarHBondContact O-N 2.84Å; A154-R157 PolarHBondContact O-N 3.43Å; E155-R157 VanDerWaalsContact C-N 3.26Å; E155-R157 PolarHBondContact O-N 3.4Å; R157-V159 VanDerWaalsContact C-N 3.34Å; R157-V159 PolarHBondContact O-N 2.9Å; R157-S160 PolarHBondContact O-N 3.5Å; R157-L161 HydrophobicContact CG-CD1 4Å; R157-L161 HydrophobicContact CG-CG 4.48Å; R157-L161 WeakPolarHBondContact O-CB 3.28Å; R157-L161 WeakPolarHBondContact O-CG 3.33Å; R157-L161 PolarHBondContact O-N 3.32Å; R157-L187 HydrophobicContact CB-CD1 4.07Å; R157-L187 HydrophobicContact CG-CD1 3.76Å |
| 158 | A | 94 | Very high | 91 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A154 E155 L161 L162 C184 L187 L193 M196 | A154-A158 WeakPolarHBondContact O-CB 3.38Å; A154-A158 PolarHBondContact O-N 3.18Å; E155-A158 PolarHBondContact O-N 3.04Å; A158-L161 PolarHBondContact O-N 2.96Å; A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 PolarHBondContact O-N 3.47Å; A158-C184 PolarHBondContact O-SG 2.87Å; A158-C184 VanDerWaalsContact O-SG 3.33Å; A158-L187 HydrophobicContact CB-CB 4.5Å; A158-L193 HydrophobicContact CB-CD1 4.16Å; A158-M196 HydrophobicContact CB-CB 4.49Å; A158-M196 HydrophobicContact CB-CE 4.21Å; A158-M196 HydrophobicContact CB-CG 4.37Å |
| 159 | V | 92.5 | Very high | 91.2 | Very high | 26 Ų | 26 | 34.9 Ų | 34.9 | 16% | 0.158 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.8 | 173 | 0 | 0 | 0 | 0 | 111.5 | V104 E155 R157 L162 N163 M196 K594 | V104-V159 HydrophobicContact CG1-CG1 4.33Å; E155-V159 WeakPolarHBondContact O-CG2 3.3Å; E155-V159 PolarHBondContact O-N 2.99Å; R157-V159 VanDerWaalsContact C-N 3.34Å; R157-V159 PolarHBondContact O-N 2.9Å; V159-L162 PolarHBondContact O-N 2.87Å; V159-N163 PolarHBondContact O-N 2.89Å; V159-N163 VanDerWaalsContact O-N 3.11Å; V159-N163 PolarHBondContact O-ND2 3.15Å; V159-M196 HydrophobicContact CB-CE 4.47Å; V159-M196 HydrophobicContact CG2-CE 3.96Å; V159-M196 HydrophobicContact CG2-SD 3.79Å; V159-K594 HydrophobicContact CG1-CD 3.87Å |
| 160 | S | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 176.6 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | Q100 V104 S137 M156 R157 L164 | Q100-S160 PolarHBondContact NE2-OG 2.98Å; Q100-S160 VanDerWaalsContact NE2-OG 3.11Å; V104-S160 WeakPolarHBondContact CG2-OG 3.46Å; S137-S160 PolarHBondContact OG-OG 3.21Å; M156-S160 PolarHBondContact O-N 3.02Å; M156-S160 VanDerWaalsContact O-N 3.08Å; M156-S160 PolarHBondContact O-OG 3.31Å; R157-S160 PolarHBondContact O-N 3.5Å; S160-L164 VanDerWaalsContact O-CB 3.24Å; S160-L164 WeakPolarHBondContact O-CB 3.5Å; S160-L164 PolarHBondContact O-N 3.1Å |
| 161 | L | 96.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.8 | -41 | 176.5 | -76.3 | 166.7 | 0 | 0 | 0 | 112.5 | I138 R157 A158 L164 G165 Q183 C184 L187 | I138-L161 HydrophobicContact CD1-CD2 3.97Å; I138-L161 HydrophobicContact CD1-CG 4.31Å; R157-L161 HydrophobicContact CG-CD1 4Å; R157-L161 HydrophobicContact CG-CG 4.48Å; R157-L161 WeakPolarHBondContact O-CB 3.28Å; R157-L161 WeakPolarHBondContact O-CG 3.33Å; R157-L161 PolarHBondContact O-N 3.32Å; A158-L161 PolarHBondContact O-N 2.96Å; L161-L164 PolarHBondContact O-N 3.1Å; L161-G165 PolarHBondContact O-N 3.36Å; L161-Q183 HydrophobicContact CD1-CB 3.79Å; L161-Q183 HydrophobicContact CD2-CB 4.29Å; L161-C184 HydrophobicContact CB-CB 4.07Å; L161-L187 HydrophobicContact CD1-CD1 3.66Å |
| 162 | L | 93 | Very high | 90.8 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -52.1 | 175.2 | -178.3 | 69.1 | 0 | 0 | 0 | 110.5 | A158 V159 L164 G165 H166 F181 M196 R199 A200 Q203 | A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 PolarHBondContact O-N 3.47Å; V159-L162 PolarHBondContact O-N 2.87Å; L162-L164 VanDerWaalsContact C-N 3.28Å; L162-L164 PolarHBondContact O-N 3.27Å; L162-G165 PolarHBondContact O-N 2.98Å; L162-H166 PolarHBondContact O-CD2 3.41Å; L162-H166 PolarHBondContact O-N 3.21Å; L162-H166 VanDerWaalsContact O-N 3.1Å; L162-F181 HydrophobicContact CD1-CD1 3.94Å; L162-F181 HydrophobicContact CD1-CE1 3.93Å; L162-F181 WeakPolarHBondContact O-CE1 3.22Å; L162-M196 HydrophobicContact CB-CE 3.74Å; L162-M196 HydrophobicContact CD2-CE 3.55Å; L162-M196 HydrophobicContact CD2-SD 4.42Å; L162-M196 HydrophobicContact CG-CE 4.23Å; L162-R199 HydrophobicContact CD1-CB 4.43Å; L162-R199 HydrophobicContact CD2-CB 3.93Å; L162-A200 HydrophobicContact CD1-CB 4.06Å; L162-Q203 HydrophobicContact CD1-CG 4.36Å |
| 163 | N | 91.9 | Very high | 90.6 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -37.4 | 177.1 | -71 | -62.1 | 0 | 0 | 0 | 112 | L134 V159 H166 V167 L596 | L134-N163 HydrophobicContact CD1-CB 3.9Å; L134-N163 HydrophobicContact CD2-CB 3.72Å; L134-N163 HydrophobicContact CG-CB 4.5Å; V159-N163 PolarHBondContact O-N 2.89Å; V159-N163 VanDerWaalsContact O-N 3.11Å; V159-N163 PolarHBondContact O-ND2 3.15Å; N163-H166 PolarHBondContact O-N 3.05Å; N163-V167 PolarHBondContact O-N 3.22Å; N163-L596 WeakPolarHBondContact OD1-CD1 2.84Å |
| 164 | L | 94.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 178 | 179.3 | 62.5 | 0 | 0 | 0 | 110.9 | L134 L135 I138 S160 L161 L162 H166 V167 Q168 | L134-L164 HydrophobicContact CB-CB 4.29Å; L134-L164 HydrophobicContact CB-CD1 4.15Å; L134-L164 HydrophobicContact CD1-CB 4.3Å; L135-L164 HydrophobicContact CD2-CD2 4.02Å; I138-L164 HydrophobicContact CD1-CD2 3.75Å; S160-L164 VanDerWaalsContact O-CB 3.24Å; S160-L164 WeakPolarHBondContact O-CB 3.5Å; S160-L164 PolarHBondContact O-N 3.1Å; L161-L164 PolarHBondContact O-N 3.1Å; L162-L164 VanDerWaalsContact C-N 3.28Å; L162-L164 PolarHBondContact O-N 3.27Å; L164-H166 VanDerWaalsContact C-N 3.31Å; L164-H166 PolarHBondContact O-N 2.64Å; L164-V167 PolarHBondContact O-N 3.09Å; L164-Q168 HydrophobicContact CD1-CG 4.21Å; L164-Q168 HydrophobicContact CG-CG 4.35Å; L164-Q168 WeakPolarHBondContact O-CB 3.24Å; L164-Q168 VanDerWaalsContact O-CG 3.3Å; L164-Q168 WeakPolarHBondContact O-CG 3.4Å; L164-Q168 PolarHBondContact O-N 3.04Å |
| 165 | G | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L161 L162 Q168 R169 A177 | L161-G165 PolarHBondContact O-N 3.36Å; L162-G165 PolarHBondContact O-N 2.98Å; G165-Q168 PolarHBondContact O-N 3.18Å; G165-R169 WeakPolarHBondContact O-CB 3.23Å; G165-R169 PolarHBondContact O-N 3.45Å; G165-A177 WeakPolarHBondContact O-CB 3.42Å |
| 166 | H | 89 | Confident | 90.3 | Very high | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.069 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 174.2 | -70.6 | -76.5 | 0 | 0 | 0 | 113.1 | L111 L162 N163 L164 R169 A170 Q203 L596 | L111-H166 HydrophobicContact CD2-CB 3.88Å; L162-H166 PolarHBondContact O-CD2 3.41Å; L162-H166 PolarHBondContact O-N 3.21Å; L162-H166 VanDerWaalsContact O-N 3.1Å; N163-H166 PolarHBondContact O-N 3.05Å; L164-H166 VanDerWaalsContact C-N 3.31Å; L164-H166 PolarHBondContact O-N 2.64Å; H166-R169 PolarHBondContact O-N 3.27Å; H166-A170 PolarHBondContact O-N 3.13Å; H166-Q203 PolarHBondContact CE1-OE1 3.44Å; H166-L596 HydrophobicContact CB-CD1 3.84Å |
| 167 | V | 89.4 | Confident | 90.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L111 L127 A130 N131 L134 N163 L164 R169 A170 Q171 | L111-V167 HydrophobicContact CB-CG2 4.28Å; L111-V167 HydrophobicContact CD1-CG2 4.36Å; L111-V167 HydrophobicContact CD2-CB 4.45Å; L111-V167 HydrophobicContact CD2-CG2 3.64Å; L111-V167 HydrophobicContact CG-CG2 4.34Å; L127-V167 HydrophobicContact CD2-CG1 4.35Å; A130-V167 HydrophobicContact CB-CG1 3.96Å; A130-V167 HydrophobicContact CB-CG2 3.65Å; N131-V167 HydrophobicContact CB-CG1 3.79Å; L134-V167 HydrophobicContact CD1-CB 4.36Å; L134-V167 HydrophobicContact CD1-CG2 3.52Å; N163-V167 PolarHBondContact O-N 3.22Å; L164-V167 PolarHBondContact O-N 3.09Å; V167-R169 VanDerWaalsContact C-N 3.32Å; V167-R169 PolarHBondContact O-N 3.34Å; V167-A170 PolarHBondContact O-N 3.19Å; V167-Q171 HydrophobicContact CG1-CG 4.39Å; V167-Q171 WeakPolarHBondContact O-CG 3.5Å; V167-Q171 PolarHBondContact O-N 3.47Å |
| 168 | Q | 92.5 | Very high | 90.2 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 179.9 | -73.4 | 168.6 | -27.5 | 0 | 0 | 111.6 | L164 G165 Q171 R172 L173 A176 A177 S180 | L164-Q168 HydrophobicContact CD1-CG 4.21Å; L164-Q168 HydrophobicContact CG-CG 4.35Å; L164-Q168 WeakPolarHBondContact O-CB 3.24Å; L164-Q168 VanDerWaalsContact O-CG 3.3Å; L164-Q168 WeakPolarHBondContact O-CG 3.4Å; L164-Q168 PolarHBondContact O-N 3.04Å; G165-Q168 PolarHBondContact O-N 3.18Å; Q168-Q171 CarbonylContact O-C 3.17Å; Q168-Q171 WeakPolarHBondContact O-CB 3.49Å; Q168-Q171 PolarHBondContact O-N 2.91Å; Q168-Q171 VanDerWaalsContact O-N 3.17Å; Q168-R172 PolarHBondContact O-N 3.39Å; Q168-L173 HydrophobicContact CB-CB 4.34Å; Q168-L173 PolarHBondContact O-N 2.89Å; Q168-A176 HydrophobicContact CG-CB 4.32Å; Q168-A176 PolarHBondContact OE1-O 3.03Å; Q168-A177 HydrophobicContact CB-CB 3.81Å; Q168-S180 PolarHBondContact OE1-OG 3.22Å |
| 169 | R | 88.2 | Confident | 90.1 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 173.1 | -172.1 | 175.6 | 75.3 | 156.1 | -2 | 111.1 | G165 H166 V167 Q171 R172 Y174 A177 E206 M207 C597 | G165-R169 WeakPolarHBondContact O-CB 3.23Å; G165-R169 PolarHBondContact O-N 3.45Å; H166-R169 PolarHBondContact O-N 3.27Å; V167-R169 VanDerWaalsContact C-N 3.32Å; V167-R169 PolarHBondContact O-N 3.34Å; R169-Q171 VanDerWaalsContact C-N 3.25Å; R169-Q171 PolarHBondContact O-N 2.97Å; R169-R172 PolarHBondContact O-N 3.17Å; R169-Y174 HydrophobicContact CG-CD1 4.48Å; R169-Y174 HydrophobicContact CG-CE1 4.33Å; R169-A177 HydrophobicContact CB-CB 4.08Å; R169-E206 IonicContact CZ-OE2 3.82Å; R169-E206 IonicContact NH1-OE2 3.21Å; R169-E206 PolarHBondContact NH1-OE2 3.06Å; R169-M207 HydrophobicContact CG-CG 4.47Å; R169-M207 HydrophobicContact CG-SD 4.17Å; R169-C597 PolarHBondContact NH2-SG 2.95Å |
| 170 | A | 84.9 | Confident | 90.2 | Very high | 48 Ų | 48 | 29.8 Ų | 29.8 | 40% | 0.397 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.8 | -27 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L111 L127 H166 V167 R172 | L111-A170 HydrophobicContact CD1-CB 3.84Å; L127-A170 HydrophobicContact CD1-CB 4.26Å; L127-A170 WeakPolarHBondContact CD1-O 3.33Å; L127-A170 HydrophobicContact CD2-CB 3.62Å; H166-A170 PolarHBondContact O-N 3.13Å; V167-A170 PolarHBondContact O-N 3.19Å; A170-R172 PolarHBondContact O-N 3.38Å |
| 171 | Q | 85.5 | Confident | 90.4 | Very high | 41 Ų | 41 | 29.8 Ų | 29.8 | 19% | 0.192 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 1.7 | 170.7 | -70.4 | 179.3 | -41.8 | 0 | 0 | 113.9 | L127 N131 V167 Q168 R169 L173 | L127-Q171 VanDerWaalsContact C-NE2 3.33Å; L127-Q171 HydrophobicContact CB-CG 3.61Å; L127-Q171 HydrophobicContact CD1-CG 3.89Å; L127-Q171 HydrophobicContact CD2-CG 4.41Å; L127-Q171 HydrophobicContact CG-CG 4.19Å; L127-Q171 PolarHBondContact O-NE2 2.99Å; N131-Q171 PolarHBondContact ND2-OE1 3.1Å; V167-Q171 HydrophobicContact CG1-CG 4.39Å; V167-Q171 WeakPolarHBondContact O-CG 3.5Å; V167-Q171 PolarHBondContact O-N 3.47Å; Q168-Q171 CarbonylContact O-C 3.17Å; Q168-Q171 WeakPolarHBondContact O-CB 3.49Å; Q168-Q171 PolarHBondContact O-N 2.91Å; Q168-Q171 VanDerWaalsContact O-N 3.17Å; R169-Q171 VanDerWaalsContact C-N 3.25Å; R169-Q171 PolarHBondContact O-N 2.97Å; Q171-L173 HydrophobicContact CB-CD1 4.06Å; Q171-L173 HydrophobicContact CB-CG 4.01Å; Q171-L173 PolarHBondContact O-N 3.13Å |
| 172 | R | 81.3 | Confident | 90.4 | Very high | 61 Ų | 61 | 30.7 Ų | 30.7 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 25.1 | -171.9 | -49.4 | -170.6 | -168.1 | 168.4 | 15.2 | 114.2 | Q168 R169 A170 Y174 G398 D401 D442 | Q168-R172 PolarHBondContact O-N 3.39Å; R169-R172 PolarHBondContact O-N 3.17Å; A170-R172 PolarHBondContact O-N 3.38Å; R172-Y174 VanDerWaalsContact C-N 3.33Å; R172-Y174 HydrophobicContact CB-CE2 4.05Å; R172-Y174 PolarHBondContact O-N 3.12Å; R172-G398 PolarHBondContact NE-O 3.34Å; R172-G398 VanDerWaalsContact NE-O 3.14Å; R172-G398 PolarHBondContact NH2-O 3.49Å; R172-D401 IonicContact CZ-OD1 2.94Å; R172-D401 IonicContact NH1-OD1 3.47Å; R172-D401 PolarHBondContact NH1-OD1 3.32Å; R172-D401 IonicContact NH2-OD1 3.61Å; R172-D442 IonicContact NH2-OD2 3.65Å |
| 173 | L | 85 | Confident | 90.5 | Very high | 88 Ų | 88 | 32 Ų | 32 | 46% | 0.461 | 17% | 0.165 | S | C | . | . | trans | -92 | 64 | 173.6 | -61.4 | 174.9 | 0 | 0 | 0 | 109.7 | Q168 Q171 D175 A176 A177 | Q168-L173 HydrophobicContact CB-CB 4.34Å; Q168-L173 PolarHBondContact O-N 2.89Å; Q171-L173 HydrophobicContact CB-CD1 4.06Å; Q171-L173 HydrophobicContact CB-CG 4.01Å; Q171-L173 PolarHBondContact O-N 3.13Å; L173-D175 PolarHBondContact O-N 3.07Å; L173-A176 HydrophobicContact CB-CB 4.15Å; L173-A176 PolarHBondContact O-N 3.02Å; L173-A176 VanDerWaalsContact O-N 3.14Å; L173-A177 PolarHBondContact O-N 3.23Å | ||
| 174 | Y | 87.3 | Confident | 90.7 | Very high | 71 Ų | 71 | 31.7 Ų | 31.7 | 28% | 0.278 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.2 | -40.2 | -169.5 | -59.9 | -68.8 | 0 | 0 | 0 | 113.8 | R169 R172 A176 A177 F178 M207 | R169-Y174 HydrophobicContact CG-CD1 4.48Å; R169-Y174 HydrophobicContact CG-CE1 4.33Å; R172-Y174 VanDerWaalsContact C-N 3.33Å; R172-Y174 HydrophobicContact CB-CE2 4.05Å; R172-Y174 PolarHBondContact O-N 3.12Å; Y174-A176 PolarHBondContact O-N 3.37Å; Y174-A177 PolarHBondContact O-N 3.29Å; Y174-F178 WeakPolarHBondContact O-CB 3.36Å; Y174-F178 PolarHBondContact O-N 3.43Å; Y174-M207 HydrophobicContact CD1-CG 4.12Å; Y174-M207 HydrophobicContact CD1-SD 4.06Å |
| 175 | D | 87.4 | Confident | 90.8 | Very high | 110 Ų | 110 | 32 Ų | 32 | 59% | 0.588 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -61.9 | -43.7 | 176.7 | -69.6 | -30.1 | 0 | 0 | 0 | 112 | L173 F178 E179 L1058 | L173-D175 PolarHBondContact O-N 3.07Å; D175-F178 PolarHBondContact O-N 3.21Å; D175-E179 PolarHBondContact O-N 3.13Å; D175-L1058 HydrophobicContact CB-CD2 4.19Å |
| 176 | A | 90.3 | Very high | 91 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.5 | -40.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q168 L173 Y174 E179 S180 | Q168-A176 HydrophobicContact CG-CB 4.32Å; Q168-A176 PolarHBondContact OE1-O 3.03Å; L173-A176 HydrophobicContact CB-CB 4.15Å; L173-A176 PolarHBondContact O-N 3.02Å; L173-A176 VanDerWaalsContact O-N 3.14Å; Y174-A176 PolarHBondContact O-N 3.37Å; A176-E179 PolarHBondContact O-N 2.74Å; A176-S180 PolarHBondContact O-N 2.77Å; A176-S180 PolarHBondContact O-OG 3.48Å |
| 177 | A | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G165 Q168 R169 L173 Y174 E179 S180 F181 M207 | G165-A177 WeakPolarHBondContact O-CB 3.42Å; Q168-A177 HydrophobicContact CB-CB 3.81Å; R169-A177 HydrophobicContact CB-CB 4.08Å; L173-A177 PolarHBondContact O-N 3.23Å; Y174-A177 PolarHBondContact O-N 3.29Å; A177-E179 VanDerWaalsContact C-N 3.31Å; A177-E179 PolarHBondContact O-N 3.24Å; A177-S180 PolarHBondContact O-N 3.12Å; A177-F181 HydrophobicContact CB-CE2 4.29Å; A177-F181 WeakPolarHBondContact O-CD2 3.44Å; A177-F181 WeakPolarHBondContact O-CG 3.18Å; A177-F181 PolarHBondContact O-N 3.26Å; A177-M207 HydrophobicContact CB-SD 3.92Å |
| 178 | F | 93.2 | Very high | 91.4 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.1 | -173.6 | -102.4 | 0 | 0 | 0 | 111.5 | Y174 D175 F181 S182 M207 L208 I240 V1128 | Y174-F178 WeakPolarHBondContact O-CB 3.36Å; Y174-F178 PolarHBondContact O-N 3.43Å; D175-F178 PolarHBondContact O-N 3.21Å; F178-F181 PolarHBondContact O-N 3.27Å; F178-S182 VanDerWaalsContact O-CB 3.27Å; F178-S182 WeakPolarHBondContact O-CB 3.18Å; F178-S182 PolarHBondContact O-N 3.16Å; F178-S182 PolarHBondContact O-OG 3.3Å; F178-M207 HydrophobicContact CB-CE 3.58Å; F178-M207 HydrophobicContact CD2-CE 3.86Å; F178-M207 HydrophobicContact CG-CE 4.22Å; F178-L208 HydrophobicContact CD2-CD1 4.43Å; F178-L208 HydrophobicContact CD2-CD2 4.5Å; F178-L208 HydrophobicContact CD2-CG 4.47Å; F178-L208 HydrophobicContact CE2-CD1 3.79Å; F178-L208 HydrophobicContact CE2-CD2 4.47Å; F178-L208 HydrophobicContact CE2-CG 4.31Å; F178-I240 HydrophobicContact CE2-CD1 3.64Å; F178-I240 HydrophobicContact CZ-CD1 3.84Å; F178-V1128 HydrophobicContact CE1-CG2 4.31Å |
| 179 | E | 93.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 40 Ų | 40 | 13% | 0.131 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 176.8 | -167.5 | -179.1 | 176.6 | 0 | 0 | 111.5 | D175 A176 A177 S182 Q183 K1049 | D175-E179 PolarHBondContact O-N 3.13Å; A176-E179 PolarHBondContact O-N 2.74Å; A177-E179 VanDerWaalsContact C-N 3.31Å; A177-E179 PolarHBondContact O-N 3.24Å; E179-S182 PolarHBondContact O-N 3.08Å; E179-Q183 VanDerWaalsContact O-CG 3.32Å; E179-Q183 WeakPolarHBondContact O-CG 3.41Å; E179-Q183 PolarHBondContact O-N 2.91Å; E179-Q183 PolarHBondContact OE1-NE2 2.98Å; E179-K1049 HydrophobicContact CG-CD 4.37Å |
| 180 | S | 94.5 | Very high | 91.8 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.9 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | Q168 A176 A177 Q183 C184 | Q168-S180 PolarHBondContact OE1-OG 3.22Å; A176-S180 PolarHBondContact O-N 2.77Å; A176-S180 PolarHBondContact O-OG 3.48Å; A177-S180 PolarHBondContact O-N 3.12Å; S180-Q183 PolarHBondContact O-N 3.06Å; S180-C184 PolarHBondContact O-N 2.77Å |
| 181 | F | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 175.6 | -60.9 | -44.9 | 0 | 0 | 0 | 112 | L162 A177 F178 Q183 C184 I185 Q203 S204 M207 | L162-F181 HydrophobicContact CD1-CD1 3.94Å; L162-F181 HydrophobicContact CD1-CE1 3.93Å; L162-F181 WeakPolarHBondContact O-CE1 3.22Å; A177-F181 HydrophobicContact CB-CE2 4.29Å; A177-F181 WeakPolarHBondContact O-CD2 3.44Å; A177-F181 WeakPolarHBondContact O-CG 3.18Å; A177-F181 PolarHBondContact O-N 3.26Å; F178-F181 PolarHBondContact O-N 3.27Å; F181-Q183 VanDerWaalsContact C-N 3.35Å; F181-Q183 PolarHBondContact O-N 3.28Å; F181-C184 CarbonylContact O-C 3.34Å; F181-C184 WeakPolarHBondContact O-CA 3.39Å; F181-C184 WeakPolarHBondContact O-CB 3.44Å; F181-C184 PolarHBondContact O-N 2.79Å; F181-C184 VanDerWaalsContact O-N 3.1Å; F181-I185 WeakPolarHBondContact O-CG1 3.43Å; F181-I185 PolarHBondContact O-N 3.47Å; F181-Q203 HydrophobicContact CD1-CB 4.23Å; F181-Q203 HydrophobicContact CD2-CB 4.32Å; F181-Q203 HydrophobicContact CE1-CB 3.89Å; F181-Q203 HydrophobicContact CE1-CG 4.39Å; F181-Q203 HydrophobicContact CE2-CB 4Å; F181-Q203 HydrophobicContact CG-CB 4.44Å; F181-Q203 HydrophobicContact CZ-CB 3.77Å; F181-Q203 HydrophobicContact CZ-CG 4.45Å; F181-S204 WeakPolarHBondContact CB-OG 3.44Å; F181-M207 HydrophobicContact CD2-CE 4.47Å; F181-M207 HydrophobicContact CE2-SD 4.22Å |
| 182 | S | 96.1 | Very high | 92.5 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 176.7 | -65 | 0 | 0 | 0 | 0 | 112.4 | F178 E179 I185 T186 | F178-S182 VanDerWaalsContact O-CB 3.27Å; F178-S182 WeakPolarHBondContact O-CB 3.18Å; F178-S182 PolarHBondContact O-N 3.16Å; F178-S182 PolarHBondContact O-OG 3.3Å; E179-S182 PolarHBondContact O-N 3.08Å; S182-I185 PolarHBondContact O-N 3.09Å; S182-T186 PolarHBondContact O-N 2.98Å; S182-T186 PolarHBondContact O-OG1 3.23Å |
| 183 | Q | 96.7 | Very high | 93 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 172.4 | -71 | -177.1 | 35.6 | 0 | 0 | 111.3 | L161 E179 S180 F181 T186 L187 | L161-Q183 HydrophobicContact CD1-CB 3.79Å; L161-Q183 HydrophobicContact CD2-CB 4.29Å; E179-Q183 VanDerWaalsContact O-CG 3.32Å; E179-Q183 WeakPolarHBondContact O-CG 3.41Å; E179-Q183 PolarHBondContact O-N 2.91Å; E179-Q183 PolarHBondContact OE1-NE2 2.98Å; S180-Q183 PolarHBondContact O-N 3.06Å; F181-Q183 VanDerWaalsContact C-N 3.35Å; F181-Q183 PolarHBondContact O-N 3.28Å; Q183-T186 PolarHBondContact O-N 2.94Å; Q183-L187 WeakPolarHBondContact O-CG 3.49Å; Q183-L187 PolarHBondContact O-N 3.1Å |
| 184 | C | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | A158 L161 S180 F181 T186 L187 A188 A200 | A158-C184 PolarHBondContact O-SG 2.87Å; A158-C184 VanDerWaalsContact O-SG 3.33Å; L161-C184 HydrophobicContact CB-CB 4.07Å; S180-C184 PolarHBondContact O-N 2.77Å; F181-C184 CarbonylContact O-C 3.34Å; F181-C184 WeakPolarHBondContact O-CA 3.39Å; F181-C184 WeakPolarHBondContact O-CB 3.44Å; F181-C184 PolarHBondContact O-N 2.79Å; F181-C184 VanDerWaalsContact O-N 3.1Å; C184-T186 VanDerWaalsContact C-N 3.32Å; C184-T186 PolarHBondContact O-N 3Å; C184-L187 PolarHBondContact O-N 3.35Å; C184-A188 VanDerWaalsContact O-CB 3.26Å; C184-A188 WeakPolarHBondContact O-CB 3.45Å; C184-A188 PolarHBondContact O-N 3.39Å; C184-A200 HydrophobicContact CB-CB 3.97Å |
| 185 | I | 96 | Very high | 93.5 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 176.1 | -69.2 | 168 | 0 | 0 | 0 | 110.5 | F181 S182 A188 R189 L197 A200 I240 | F181-I185 WeakPolarHBondContact O-CG1 3.43Å; F181-I185 PolarHBondContact O-N 3.47Å; S182-I185 PolarHBondContact O-N 3.09Å; I185-A188 PolarHBondContact O-N 3.44Å; I185-R189 WeakPolarHBondContact O-CG 3.48Å; I185-R189 PolarHBondContact O-N 3.45Å; I185-L197 HydrophobicContact CG2-CD1 3.86Å; I185-A200 HydrophobicContact CD1-CB 4.45Å; I185-A200 HydrophobicContact CG1-CB 3.66Å; I185-I240 HydrophobicContact CD1-CG2 4.07Å |
| 186 | T | 95.4 | Very high | 93.8 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62 | -46.4 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | S182 Q183 C184 K190 | S182-T186 PolarHBondContact O-N 2.98Å; S182-T186 PolarHBondContact O-OG1 3.23Å; Q183-T186 PolarHBondContact O-N 2.94Å; C184-T186 VanDerWaalsContact C-N 3.32Å; C184-T186 PolarHBondContact O-N 3Å; T186-K190 WeakPolarHBondContact O-CB 3.47Å; T186-K190 PolarHBondContact O-N 3.43Å |
| 187 | L | 93.6 | Very high | 94 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 16% | 0.157 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 175 | -72.4 | 172.7 | 0 | 0 | 0 | 111.6 | R157 A158 L161 Q183 C184 R189 K190 Y191 | R157-L187 HydrophobicContact CB-CD1 4.07Å; R157-L187 HydrophobicContact CG-CD1 3.76Å; A158-L187 HydrophobicContact CB-CB 4.5Å; L161-L187 HydrophobicContact CD1-CD1 3.66Å; Q183-L187 WeakPolarHBondContact O-CG 3.49Å; Q183-L187 PolarHBondContact O-N 3.1Å; C184-L187 PolarHBondContact O-N 3.35Å; L187-R189 VanDerWaalsContact C-N 3.34Å; L187-R189 PolarHBondContact O-N 3.01Å; L187-K190 PolarHBondContact O-N 3.31Å; L187-Y191 HydrophobicContact CD2-CD2 4.48Å; L187-Y191 HydrophobicContact CD2-CE2 4.15Å; L187-Y191 WeakPolarHBondContact O-CD2 3.42Å; L187-Y191 PolarHBondContact O-N 3.33Å |
| 188 | A | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | C184 I185 G192 L193 M196 L197 | C184-A188 VanDerWaalsContact O-CB 3.26Å; C184-A188 WeakPolarHBondContact O-CB 3.45Å; C184-A188 PolarHBondContact O-N 3.39Å; I185-A188 PolarHBondContact O-N 3.44Å; A188-G192 CarbonylContact O-C 3.53Å; A188-G192 WeakPolarHBondContact O-CA 3.32Å; A188-G192 PolarHBondContact O-N 3.08Å; A188-L193 HydrophobicContact CB-CB 4.07Å; A188-L193 PolarHBondContact O-N 2.89Å; A188-M196 HydrophobicContact CB-CB 4.03Å; A188-L197 HydrophobicContact CB-CB 3.79Å |
| 189 | R | 94.4 | Very high | 94 | Very high | 101 Ų | 101 | 31.1 Ų | 31.1 | 38% | 0.381 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.2 | -47 | 172.8 | -72 | 179.6 | -179.5 | 170.8 | -1.4 | 111.5 | I185 L187 Y191 L197 T243 T244 | I185-R189 WeakPolarHBondContact O-CG 3.48Å; I185-R189 PolarHBondContact O-N 3.45Å; L187-R189 VanDerWaalsContact C-N 3.34Å; L187-R189 PolarHBondContact O-N 3.01Å; R189-Y191 VanDerWaalsContact C-N 3.3Å; R189-Y191 PolarHBondContact O-N 3.31Å; R189-L197 HydrophobicContact CG-CD1 3.83Å; R189-L197 HydrophobicContact CG-CD2 4.26Å; R189-T243 PolarHBondContact NH2-OG1 3.3Å; R189-T244 PolarHBondContact NH2-OG1 3.41Å; R189-T244 VanDerWaalsContact NH2-OG1 3.09Å |
| 190 | K | 93.6 | Very high | 94 | Very high | 150 Ų | 150 | 29.8 Ų | 29.8 | 65% | 0.652 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -60.4 | -37.5 | -177.9 | -175.7 | 178.1 | 175.8 | -167.6 | 0 | 113 | T186 L187 | T186-K190 WeakPolarHBondContact O-CB 3.47Å; T186-K190 PolarHBondContact O-N 3.43Å; L187-K190 PolarHBondContact O-N 3.31Å |
| 191 | Y | 93.7 | Very high | 94 | Very high | 61 Ų | 61 | 29.5 Ų | 29.5 | 24% | 0.239 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -109.9 | 8.8 | -174 | -67.1 | -83 | 0 | 0 | 0 | 114.3 | D150 K151 A154 L187 R189 L193 | D150-Y191 HydrophobicContact CB-CE1 3.94Å; K151-Y191 HydrophobicContact CB-CD1 4.49Å; A154-Y191 HydrophobicContact CB-CD1 4Å; A154-Y191 HydrophobicContact CB-CD2 3.25Å; A154-Y191 HydrophobicContact CB-CE1 4.18Å; A154-Y191 HydrophobicContact CB-CE2 3.46Å; A154-Y191 VanDerWaalsContact CB-CE2 3.46Å; A154-Y191 HydrophobicContact CB-CG 3.54Å; L187-Y191 HydrophobicContact CD2-CD2 4.48Å; L187-Y191 HydrophobicContact CD2-CE2 4.15Å; L187-Y191 WeakPolarHBondContact O-CD2 3.42Å; L187-Y191 PolarHBondContact O-N 3.33Å; R189-Y191 VanDerWaalsContact C-N 3.3Å; R189-Y191 PolarHBondContact O-N 3.31Å; Y191-L193 PolarHBondContact O-N 3.37Å |
| 192 | G | 91.7 | Very high | 93.9 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 23% | 0.227 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 36.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A188 Q194 | A188-G192 CarbonylContact O-C 3.53Å; A188-G192 WeakPolarHBondContact O-CA 3.32Å; A188-G192 PolarHBondContact O-N 3.08Å; G192-Q194 PolarHBondContact O-N 2.83Å; G192-Q194 VanDerWaalsContact O-N 3.17Å |
| 193 | L | 92.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 7% | 0.068 | 14% | 0.136 | C | C | . | . | trans | -87.6 | 74.3 | -179.4 | -52.4 | 174.9 | 0 | 0 | 0 | 110.5 | K151 E155 A158 A188 Y191 K195 M196 L197 | K151-L193 HydrophobicContact CG-CD2 4.07Å; E155-L193 HydrophobicContact CB-CD1 3.97Å; E155-L193 HydrophobicContact CB-CD2 4.14Å; E155-L193 HydrophobicContact CG-CD1 4.41Å; E155-L193 HydrophobicContact CG-CD2 4.41Å; A158-L193 HydrophobicContact CB-CD1 4.16Å; A188-L193 HydrophobicContact CB-CB 4.07Å; A188-L193 PolarHBondContact O-N 2.89Å; Y191-L193 PolarHBondContact O-N 3.37Å; L193-K195 PolarHBondContact O-N 3.15Å; L193-M196 HydrophobicContact CB-CB 4.05Å; L193-M196 HydrophobicContact CB-CG 4.29Å; L193-M196 PolarHBondContact O-N 2.92Å; L193-M196 VanDerWaalsContact O-N 3.09Å; L193-L197 PolarHBondContact O-N 3.38Å | ||
| 194 | Q | 92.6 | Very high | 93.6 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -48.9 | -50.5 | -171.2 | -171.4 | 178.1 | 47.9 | 0 | 0 | 113.9 | G192 M196 L197 F198 L249 P252 I254 A258 | G192-Q194 PolarHBondContact O-N 2.83Å; G192-Q194 VanDerWaalsContact O-N 3.17Å; Q194-M196 PolarHBondContact O-N 3.23Å; Q194-L197 WeakPolarHBondContact O-CB 3.25Å; Q194-L197 PolarHBondContact O-N 3.24Å; Q194-F198 HydrophobicContact CG-CD2 4.15Å; Q194-F198 HydrophobicContact CG-CE1 4.2Å; Q194-F198 HydrophobicContact CG-CE2 3.37Å; Q194-F198 HydrophobicContact CG-CZ 3.38Å; Q194-F198 WeakPolarHBondContact O-CG 3.28Å; Q194-F198 PolarHBondContact O-N 3.42Å; Q194-L249 WeakPolarHBondContact CG-O 3.38Å; Q194-L249 PolarHBondContact NE2-O 3.23Å; Q194-P252 PolarHBondContact NE2-O 3.07Å; Q194-I254 HydrophobicContact CB-CD1 3.89Å; Q194-I254 VanDerWaalsContact OE1-CG1 3.28Å; Q194-A258 HydrophobicContact CG-CB 4.29Å |
| 195 | K | 90.4 | Very high | 93.4 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 22% | 0.217 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 180 | -61.3 | -177.6 | -176.3 | -174.8 | 0 | 113.2 | L193 F198 R199 D255 E257 A258 L261 | L193-K195 PolarHBondContact O-N 3.15Å; K195-F198 PolarHBondContact O-N 3.49Å; K195-R199 WeakPolarHBondContact O-CB 3.37Å; K195-R199 WeakPolarHBondContact O-CG 3.28Å; K195-R199 PolarHBondContact O-N 3.46Å; K195-D255 VanDerWaalsContact CE-CG 3.42Å; K195-D255 WeakPolarHBondContact CE-OD1 3.33Å; K195-D255 WeakPolarHBondContact CE-OD2 3.12Å; K195-D255 IonicContact NZ-OD1 3.58Å; K195-D255 IonicContact NZ-OD2 2.9Å; K195-D255 PolarHBondContact NZ-OD2 2.86Å; K195-E257 HydrophobicContact CD-CG 4.47Å; K195-E257 IonicContact NZ-OE2 3.53Å; K195-E257 PolarHBondContact NZ-OE2 3.13Å; K195-A258 HydrophobicContact CG-CB 4.24Å; K195-L261 HydrophobicContact CB-CD1 3.98Å; K195-L261 HydrophobicContact CG-CD1 4.17Å |
| 196 | M | 93.3 | Very high | 93.1 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 7% | 0.069 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69 | -37.8 | 179.2 | -66.5 | -53.4 | -57.7 | 0 | 0 | 111.4 | A158 V159 L162 A188 L193 Q194 F198 A200 | A158-M196 HydrophobicContact CB-CB 4.49Å; A158-M196 HydrophobicContact CB-CE 4.21Å; A158-M196 HydrophobicContact CB-CG 4.37Å; V159-M196 HydrophobicContact CB-CE 4.47Å; V159-M196 HydrophobicContact CG2-CE 3.96Å; V159-M196 HydrophobicContact CG2-SD 3.79Å; L162-M196 HydrophobicContact CB-CE 3.74Å; L162-M196 HydrophobicContact CD2-CE 3.55Å; L162-M196 HydrophobicContact CD2-SD 4.42Å; L162-M196 HydrophobicContact CG-CE 4.23Å; A188-M196 HydrophobicContact CB-CB 4.03Å; L193-M196 HydrophobicContact CB-CB 4.05Å; L193-M196 HydrophobicContact CB-CG 4.29Å; L193-M196 PolarHBondContact O-N 2.92Å; L193-M196 VanDerWaalsContact O-N 3.09Å; Q194-M196 PolarHBondContact O-N 3.23Å; M196-F198 VanDerWaalsContact C-N 3.34Å; M196-A200 VanDerWaalsContact O-CB 3.26Å; M196-A200 WeakPolarHBondContact O-CB 3.46Å; M196-A200 PolarHBondContact O-N 2.64Å |
| 197 | L | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 173.2 | 173.6 | 59.5 | 0 | 0 | 0 | 110.3 | I185 A188 R189 L193 Q194 S201 T244 L249 | I185-L197 HydrophobicContact CG2-CD1 3.86Å; A188-L197 HydrophobicContact CB-CB 3.79Å; R189-L197 HydrophobicContact CG-CD1 3.83Å; R189-L197 HydrophobicContact CG-CD2 4.26Å; L193-L197 PolarHBondContact O-N 3.38Å; Q194-L197 WeakPolarHBondContact O-CB 3.25Å; Q194-L197 PolarHBondContact O-N 3.24Å; L197-S201 VanDerWaalsContact O-CB 3.24Å; L197-S201 WeakPolarHBondContact O-CB 3.39Å; L197-S201 PolarHBondContact O-N 2.9Å; L197-S201 PolarHBondContact O-OG 3.17Å; L197-T244 HydrophobicContact CD1-CG2 3.97Å; L197-T244 HydrophobicContact CD2-CG2 4.09Å; L197-T244 HydrophobicContact CG-CG2 3.71Å; L197-L249 HydrophobicContact CD2-CB 4.04Å; L197-L249 HydrophobicContact CD2-CD1 3.89Å |
| 198 | F | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.7 | -46.8 | -178 | -58.4 | -22.1 | 0 | 0 | 0 | 112.8 | Q194 K195 M196 S201 Y202 T244 A258 L261 C262 L265 | Q194-F198 HydrophobicContact CG-CD2 4.15Å; Q194-F198 HydrophobicContact CG-CE1 4.2Å; Q194-F198 HydrophobicContact CG-CE2 3.37Å; Q194-F198 HydrophobicContact CG-CZ 3.38Å; Q194-F198 WeakPolarHBondContact O-CG 3.28Å; Q194-F198 PolarHBondContact O-N 3.42Å; K195-F198 PolarHBondContact O-N 3.49Å; M196-F198 VanDerWaalsContact C-N 3.34Å; F198-S201 PolarHBondContact O-N 3.19Å; F198-Y202 WeakPolarHBondContact O-CB 3.23Å; F198-Y202 PolarHBondContact O-N 3.29Å; F198-T244 HydrophobicContact CD1-CG2 3.94Å; F198-T244 HydrophobicContact CE1-CG2 4.29Å; F198-A258 WeakPolarHBondContact CD2-O 3.36Å; F198-A258 HydrophobicContact CE2-CB 4.33Å; F198-A258 WeakPolarHBondContact CE2-O 2.95Å; F198-L261 HydrophobicContact CB-CB 3.78Å; F198-L261 HydrophobicContact CD2-CB 3.74Å; F198-L261 HydrophobicContact CG-CB 4.25Å; F198-C262 HydrophobicContact CD2-CB 4.34Å; F198-C262 HydrophobicContact CE2-CB 3.94Å; F198-C262 HydrophobicContact CZ-CB 4.29Å; F198-L265 HydrophobicContact CB-CD1 3.84Å; F198-L265 HydrophobicContact CD1-CD1 3.6Å; F198-L265 HydrophobicContact CE1-CD1 4.44Å; F198-L265 HydrophobicContact CG-CD1 3.92Å |
| 199 | R | 91.5 | Very high | 92 | Very high | 22 Ų | 22 | 23.9 Ų | 23.9 | 8% | 0.083 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.2 | -52.1 | 176.2 | -75.1 | -177.5 | 165.9 | 115.9 | 4.3 | 111.8 | L162 K195 S201 Y202 Q203 E257 L261 E625 | L162-R199 HydrophobicContact CD1-CB 4.43Å; L162-R199 HydrophobicContact CD2-CB 3.93Å; K195-R199 WeakPolarHBondContact O-CB 3.37Å; K195-R199 WeakPolarHBondContact O-CG 3.28Å; K195-R199 PolarHBondContact O-N 3.46Å; R199-S201 VanDerWaalsContact C-N 3.35Å; R199-S201 PolarHBondContact O-N 3.03Å; R199-Y202 PolarHBondContact O-N 2.88Å; R199-Q203 VanDerWaalsContact O-CG 3.27Å; R199-Q203 WeakPolarHBondContact O-CG 3.47Å; R199-Q203 PolarHBondContact O-N 3.26Å; R199-E257 IonicContact CZ-OE1 2.7Å; R199-E257 IonicContact NH1-OE1 2.73Å; R199-E257 PolarHBondContact NH1-OE1 3.41Å; R199-E257 IonicContact NH2-OE1 3.67Å; R199-E257 PolarHBondContact NH2-OE1 3.4Å; R199-L261 HydrophobicContact CG-CD1 4.25Å; R199-L261 HydrophobicContact CG-CD2 3.65Å; R199-E625 PolarHBondContact NH2-O 3.05Å |
| 200 | A | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.2 | -35.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L162 C184 I185 M196 S204 | L162-A200 HydrophobicContact CD1-CB 4.06Å; C184-A200 HydrophobicContact CB-CB 3.97Å; I185-A200 HydrophobicContact CD1-CB 4.45Å; I185-A200 HydrophobicContact CG1-CB 3.66Å; M196-A200 VanDerWaalsContact O-CB 3.26Å; M196-A200 WeakPolarHBondContact O-CB 3.46Å; M196-A200 PolarHBondContact O-N 2.64Å; A200-S204 WeakPolarHBondContact O-CB 3.37Å; A200-S204 PolarHBondContact O-N 2.88Å; A200-S204 PolarHBondContact O-OG 2.89Å |
| 201 | S | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.7 | -40.7 | 176.3 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | L197 F198 R199 S204 G205 T244 | L197-S201 VanDerWaalsContact O-CB 3.24Å; L197-S201 WeakPolarHBondContact O-CB 3.39Å; L197-S201 PolarHBondContact O-N 2.9Å; L197-S201 PolarHBondContact O-OG 3.17Å; F198-S201 PolarHBondContact O-N 3.19Å; R199-S201 VanDerWaalsContact C-N 3.35Å; R199-S201 PolarHBondContact O-N 3.03Å; S201-S204 PolarHBondContact O-N 3.26Å; S201-G205 PolarHBondContact O-N 3.21Å; S201-T244 PolarHBondContact OG-OG1 3.48Å; S201-T244 VanDerWaalsContact OG-OG1 3.13Å |
| 202 | Y | 94 | Very high | 89.3 | Confident | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.4 | -50.4 | 174.2 | 179.8 | -80.4 | 0 | 0 | 0 | 110.5 | F198 R199 S204 G205 E206 N264 L268 K622 L627 | F198-Y202 WeakPolarHBondContact O-CB 3.23Å; F198-Y202 PolarHBondContact O-N 3.29Å; R199-Y202 PolarHBondContact O-N 2.88Å; Y202-S204 VanDerWaalsContact C-N 3.33Å; Y202-S204 PolarHBondContact O-N 3.43Å; Y202-G205 PolarHBondContact O-N 2.85Å; Y202-E206 HydrophobicContact CD1-CB 4.48Å; Y202-E206 HydrophobicContact CE1-CB 4.07Å; Y202-E206 HydrophobicContact CE1-CG 4.35Å; Y202-E206 VanDerWaalsContact CE1-OE1 3.3Å; Y202-E206 WeakPolarHBondContact CE1-OE1 3.38Å; Y202-E206 VanDerWaalsContact O-CB 3.31Å; Y202-E206 WeakPolarHBondContact O-CB 3.25Å; Y202-E206 PolarHBondContact O-N 2.83Å; Y202-E206 PolarHBondContact OH-OE1 3.16Å; Y202-N264 HydrophobicContact CD2-CB 4.31Å; Y202-N264 HydrophobicContact CE2-CB 4.36Å; Y202-L268 HydrophobicContact CD2-CB 4.1Å; Y202-L268 HydrophobicContact CD2-CD2 3.8Å; Y202-L268 HydrophobicContact CE2-CB 4.02Å; Y202-L268 HydrophobicContact CE2-CD2 4.18Å; Y202-L268 HydrophobicContact CG-CD2 4.15Å; Y202-L268 WeakPolarHBondContact O-CD2 3.45Å; Y202-K622 VanDerWaalsContact CZ-CE 3.49Å; Y202-K622 WeakPolarHBondContact OH-CE 3.33Å; Y202-K622 PolarHBondContact OH-NZ 3.48Å; Y202-K622 VanDerWaalsContact OH-NZ 3.12Å; Y202-L627 HydrophobicContact CD1-CD2 4.46Å; Y202-L627 HydrophobicContact CE1-CD2 3.87Å |
| 203 | Q | 92.8 | Very high | 88.1 | Confident | 3 Ų | 3 | 13.1 Ų | 13.1 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 179.8 | -66.7 | -59.4 | -41.2 | 0 | 0 | 112.8 | L162 H166 F181 R199 M207 L627 | L162-Q203 HydrophobicContact CD1-CG 4.36Å; H166-Q203 PolarHBondContact CE1-OE1 3.44Å; F181-Q203 HydrophobicContact CD1-CB 4.23Å; F181-Q203 HydrophobicContact CD2-CB 4.32Å; F181-Q203 HydrophobicContact CE1-CB 3.89Å; F181-Q203 HydrophobicContact CE1-CG 4.39Å; F181-Q203 HydrophobicContact CE2-CB 4Å; F181-Q203 HydrophobicContact CG-CB 4.44Å; F181-Q203 HydrophobicContact CZ-CB 3.77Å; F181-Q203 HydrophobicContact CZ-CG 4.45Å; R199-Q203 VanDerWaalsContact O-CG 3.27Å; R199-Q203 WeakPolarHBondContact O-CG 3.47Å; R199-Q203 PolarHBondContact O-N 3.26Å; Q203-M207 VanDerWaalsContact O-CB 3.23Å; Q203-M207 WeakPolarHBondContact O-CB 3.18Å; Q203-M207 PolarHBondContact O-N 3.16Å; Q203-M207 VanDerWaalsContact O-N 3.09Å; Q203-L627 VanDerWaalsContact NE2-CD2 3.27Å |
| 204 | S | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 175.9 | -59 | 0 | 0 | 0 | 0 | 111.8 | F181 A200 S201 Y202 L208 | F181-S204 WeakPolarHBondContact CB-OG 3.44Å; A200-S204 WeakPolarHBondContact O-CB 3.37Å; A200-S204 PolarHBondContact O-N 2.88Å; A200-S204 PolarHBondContact O-OG 2.89Å; S201-S204 PolarHBondContact O-N 3.26Å; Y202-S204 VanDerWaalsContact C-N 3.33Å; Y202-S204 PolarHBondContact O-N 3.43Å; S204-L208 WeakPolarHBondContact O-CG 3.42Å; S204-L208 PolarHBondContact O-N 3.48Å |
| 205 | G | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.5 | -46 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S201 Y202 M207 L208 I209 | S201-G205 PolarHBondContact O-N 3.21Å; Y202-G205 PolarHBondContact O-N 2.85Å; G205-M207 PolarHBondContact O-N 3.1Å; G205-L208 PolarHBondContact O-N 3.12Å; G205-I209 PolarHBondContact O-N 2.89Å; G205-I209 VanDerWaalsContact O-N 3.16Å |
| 206 | E | 90.3 | Very high | 84 | Confident | 27 Ų | 27 | 17.1 Ų | 17.1 | 13% | 0.126 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 177.6 | -176.8 | -172.5 | -111.1 | 0 | 0 | 111.8 | R169 Y202 L208 I209 N210 L268 | R169-E206 IonicContact CZ-OE2 3.82Å; R169-E206 IonicContact NH1-OE2 3.21Å; R169-E206 PolarHBondContact NH1-OE2 3.06Å; Y202-E206 HydrophobicContact CD1-CB 4.48Å; Y202-E206 HydrophobicContact CE1-CB 4.07Å; Y202-E206 HydrophobicContact CE1-CG 4.35Å; Y202-E206 VanDerWaalsContact CE1-OE1 3.3Å; Y202-E206 WeakPolarHBondContact CE1-OE1 3.38Å; Y202-E206 VanDerWaalsContact O-CB 3.31Å; Y202-E206 WeakPolarHBondContact O-CB 3.25Å; Y202-E206 PolarHBondContact O-N 2.83Å; Y202-E206 PolarHBondContact OH-OE1 3.16Å; E206-L208 PolarHBondContact O-N 3.46Å; E206-I209 VanDerWaalsContact O-CG1 3.29Å; E206-I209 WeakPolarHBondContact O-CG1 3.23Å; E206-I209 PolarHBondContact O-N 3.35Å; E206-N210 WeakPolarHBondContact O-CB 3.43Å; E206-N210 PolarHBondContact O-N 3.43Å; E206-N210 VanDerWaalsContact O-N 3.15Å; E206-L268 HydrophobicContact CB-CD1 4.34Å |
| 207 | M | 87.8 | Confident | 83.2 | Confident | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.039 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.7 | -177.6 | -179.8 | 73.6 | 0 | 0 | 111.9 | R169 Y174 A177 F178 F181 Q203 G205 I209 N210 N211 | R169-M207 HydrophobicContact CG-CG 4.47Å; R169-M207 HydrophobicContact CG-SD 4.17Å; Y174-M207 HydrophobicContact CD1-CG 4.12Å; Y174-M207 HydrophobicContact CD1-SD 4.06Å; A177-M207 HydrophobicContact CB-SD 3.92Å; F178-M207 HydrophobicContact CB-CE 3.58Å; F178-M207 HydrophobicContact CD2-CE 3.86Å; F178-M207 HydrophobicContact CG-CE 4.22Å; F181-M207 HydrophobicContact CD2-CE 4.47Å; F181-M207 HydrophobicContact CE2-SD 4.22Å; Q203-M207 VanDerWaalsContact O-CB 3.23Å; Q203-M207 WeakPolarHBondContact O-CB 3.18Å; Q203-M207 PolarHBondContact O-N 3.16Å; Q203-M207 VanDerWaalsContact O-N 3.09Å; G205-M207 PolarHBondContact O-N 3.1Å; M207-I209 PolarHBondContact O-N 2.81Å; M207-N210 PolarHBondContact O-N 3.3Å; M207-N211 PolarHBondContact O-N 3.12Å; M207-N211 PolarHBondContact O-OD1 3.34Å |
| 208 | L | 87.7 | Confident | 82.3 | Confident | 13 Ų | 13 | 21.9 Ų | 21.9 | 7% | 0.068 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.3 | -33.7 | -179.5 | -75 | 171.2 | 0 | 0 | 0 | 113.2 | F178 S204 G205 E206 E233 K236 A237 I240 | F178-L208 HydrophobicContact CD2-CD1 4.43Å; F178-L208 HydrophobicContact CD2-CD2 4.5Å; F178-L208 HydrophobicContact CD2-CG 4.47Å; F178-L208 HydrophobicContact CE2-CD1 3.79Å; F178-L208 HydrophobicContact CE2-CD2 4.47Å; F178-L208 HydrophobicContact CE2-CG 4.31Å; S204-L208 WeakPolarHBondContact O-CG 3.42Å; S204-L208 PolarHBondContact O-N 3.48Å; G205-L208 PolarHBondContact O-N 3.12Å; E206-L208 PolarHBondContact O-N 3.46Å; L208-E233 HydrophobicContact CD2-CB 4.25Å; L208-K236 HydrophobicContact CD1-CB 3.86Å; L208-A237 HydrophobicContact CB-CB 3.85Å; L208-A237 HydrophobicContact CD1-CB 3.99Å; L208-I240 HydrophobicContact CD1-CD1 4Å |
| 209 | I | 85.5 | Confident | 81.5 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -82.6 | -21 | 178.7 | 64.5 | 175 | 0 | 0 | 0 | 114 | G205 E206 M207 T234 A237 L268 Q271 I272 L346 | G205-I209 PolarHBondContact O-N 2.89Å; G205-I209 VanDerWaalsContact O-N 3.16Å; E206-I209 VanDerWaalsContact O-CG1 3.29Å; E206-I209 WeakPolarHBondContact O-CG1 3.23Å; E206-I209 PolarHBondContact O-N 3.35Å; M207-I209 PolarHBondContact O-N 2.81Å; I209-T234 HydrophobicContact CG2-CG2 4.47Å; I209-A237 HydrophobicContact CG2-CB 4.02Å; I209-L268 HydrophobicContact CD1-CD1 3.61Å; I209-Q271 HydrophobicContact CD1-CB 4.36Å; I209-I272 HydrophobicContact CG2-CB 4.47Å; I209-I272 HydrophobicContact CG2-CG1 3.67Å; I209-L346 HydrophobicContact CD1-CD2 3.81Å |
| 210 | N | 80.3 | Confident | 80.6 | Confident | 37 Ų | 37 | 26 Ų | 26 | 20% | 0.198 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -103.5 | 13.9 | 179.5 | -78.2 | -42.7 | 0 | 0 | 0 | 113.3 | E206 M207 H347 G348 L397 | E206-N210 WeakPolarHBondContact O-CB 3.43Å; E206-N210 PolarHBondContact O-N 3.43Å; E206-N210 VanDerWaalsContact O-N 3.15Å; M207-N210 PolarHBondContact O-N 3.3Å; N210-H347 PolarHBondContact OD1-N 2.89Å; N210-G348 PolarHBondContact OD1-N 3.2Å; N210-L397 WeakPolarHBondContact O-CD2 3.48Å |
| 211 | N | 73.8 | Confident | 79.7 | Confident | 30 Ų | 30 | 27.2 Ų | 27.2 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -65.4 | 149.6 | 168.7 | -85.9 | -13.4 | 0 | 0 | 0 | 111.1 | M207 E233 | M207-N211 PolarHBondContact O-N 3.12Å; M207-N211 PolarHBondContact O-OD1 3.34Å; N211-E233 WeakPolarHBondContact CB-OE2 3.5Å; N211-E233 PolarHBondContact ND2-OE2 3.14Å |
| 212 | I | 71.8 | Confident | 78.8 | Confident | 34 Ų | 34 | 28.2 Ų | 28.2 | 17% | 0.174 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 128.4 | 176.3 | -68.8 | 168.3 | 0 | 0 | 0 | 108.6 | T214 Y394 L397 C399 | I212-T214 PolarHBondContact O-N 2.77Å; I212-T214 VanDerWaalsContact O-N 3.13Å; I212-Y394 HydrophobicContact CD1-CD1 4.26Å; I212-Y394 HydrophobicContact CD1-CE1 4.32Å; I212-Y394 HydrophobicContact CG2-CE1 4.01Å; I212-L397 HydrophobicContact CG1-CD1 3.84Å; I212-C399 HydrophobicContact CD1-CB 3.69Å; I212-C399 WeakPolarHBondContact CD1-SG 3.46Å |
| 213 | P | 66 | Low | 78 | Confident | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 121 | 174.4 | -22.6 | 31.3 | 0 | 0 | 0 | 110.5 | H215 V351 R352 R355 | P213-H215 VanDerWaalsContact C-N 3.32Å; P213-V351 VanDerWaalsContact CD-CG1 3.48Å; P213-V351 HydrophobicContact CG-CG1 4Å; P213-R352 HydrophobicContact CG-CB 3.81Å; P213-R352 HydrophobicContact CG-CG 4.28Å; P213-R355 PolarHBondContact O-NH1 3.12Å; P213-R355 VanDerWaalsContact O-NH1 3.07Å |
| 214 | T | 62.2 | Low | 77.3 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 42% | 0.423 | 19% | 0.192 | S | C | . | . | trans | -75 | -24 | -179.7 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | I212 | I212-T214 PolarHBondContact O-N 2.77Å; I212-T214 VanDerWaalsContact O-N 3.13Å | ||
| 215 | H | 62.9 | Low | 76.9 | Confident | 72 Ų | 72 | 36 Ų | 36 | 33% | 0.333 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -77.7 | 125 | -179.4 | -62.5 | -61.9 | 0 | 0 | 0 | 110.8 | P213 L228 E1042 | P213-H215 VanDerWaalsContact C-N 3.32Å; H215-L228 HydrophobicContact CB-CD2 3.99Å; H215-E1042 IonicContact CE1-OE2 3.82Å; H215-E1042 IonicContact ND1-OE2 3.87Å |
| 216 | A | 64.2 | Low | 76.4 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 158.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T218 D449 N451 | A216-T218 PolarHBondContact O-N 3.34Å; A216-T218 VanDerWaalsContact O-N 3.12Å; A216-D449 WeakPolarHBondContact CA-OD1 3.22Å; A216-D449 VanDerWaalsContact CB-OD1 3.24Å; A216-D449 WeakPolarHBondContact CB-OD1 3.35Å; A216-D449 PolarHBondContact N-OD1 2.73Å; A216-D449 VanDerWaalsContact N-OD1 3.16Å; A216-N451 HydrophobicContact CB-CB 3.64Å |
| 217 | F | 76.7 | Confident | 75.8 | Confident | 54 Ų | 54 | 42 Ų | 42 | 24% | 0.237 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 121.8 | 169 | 171.8 | -99.4 | 0 | 0 | 0 | 109.4 | F356 G359 F360 L363 | F217-F356 HydrophobicContact CD2-CB 4.48Å; F217-F356 HydrophobicContact CD2-CD1 4.03Å; F217-F356 HydrophobicContact CD2-CD2 4.33Å; F217-F356 HydrophobicContact CD2-CE1 4.31Å; F217-F356 HydrophobicContact CD2-CG 4.04Å; F217-F356 AromaticContact CE2-CD1 3.89Å; F217-F356 HydrophobicContact CE2-CD1 3.89Å; F217-F356 HydrophobicContact CE2-CE1 4.31Å; F217-F356 HydrophobicContact CE2-CG 4.23Å; F217-G359 VanDerWaalsContact CE1-CA 3.49Å; F217-G359 VanDerWaalsContact CZ-C 3.41Å; F217-G359 VanDerWaalsContact CZ-CA 3.5Å; F217-F360 HydrophobicContact CE2-CD2 4.31Å; F217-F360 HydrophobicContact CE2-CE2 4.35Å; F217-F360 HydrophobicContact CE2-CG 4.44Å; F217-F360 HydrophobicContact CZ-CD1 4.23Å; F217-F360 HydrophobicContact CZ-CE1 4.38Å; F217-F360 HydrophobicContact CZ-CG 4.39Å; F217-L363 HydrophobicContact CE1-CD1 3.98Å; F217-L363 HydrophobicContact CZ-CD1 3.97Å |
| 218 | T | 76 | Confident | 75.3 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | trans | -127.6 | 126 | 169.3 | 52 | 0 | 0 | 0 | 0 | 107.3 | A216 C220 | A216-T218 PolarHBondContact O-N 3.34Å; A216-T218 VanDerWaalsContact O-N 3.12Å; T218-C220 PolarHBondContact O-N 2.98Å; T218-C220 VanDerWaalsContact O-N 3.13Å | ||
| 219 | E | 76 | Confident | 74.7 | Confident | 94 Ų | 94 | 42.6 Ų | 42.6 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | trans | -55.6 | 120.1 | 170.3 | -169.5 | -177.7 | 173.3 | 0 | 0 | 108.5 | Y327 F360 L363 | E219-Y327 WeakPolarHBondContact OE1-CE1 3.48Å; E219-Y327 PolarHBondContact OE1-OH 3.07Å; E219-Y327 VanDerWaalsContact OE1-OH 3.08Å; E219-F360 HydrophobicContact CG-CE1 4.34Å; E219-L363 HydrophobicContact CB-CD1 4.36Å; E219-L363 HydrophobicContact CG-CD1 4.23Å | ||
| 220 | C | 73.2 | Confident | 74 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.088 | 24% | 0.241 | C | C | . | . | trans | -145.6 | 152.4 | -175.3 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | T218 E224 | T218-C220 PolarHBondContact O-N 2.98Å; T218-C220 VanDerWaalsContact O-N 3.13Å; C220-E224 WeakPolarHBondContact CA-OE2 3.25Å; C220-E224 HydrophobicContact CB-CB 3.71Å; C220-E224 VanDerWaalsContact CB-OE2 3.31Å; C220-E224 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 221 | C | 73.2 | Confident | 73.5 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | trans | -69.7 | 161.7 | 176.4 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | T223 E224 F225 N319 E320 | C221-T223 PolarHBondContact O-N 2.7Å; C221-T223 VanDerWaalsContact O-N 3.1Å; C221-T223 PolarHBondContact SG-OG1 3.49Å; C221-E224 PolarHBondContact N-OE2 3.49Å; C221-E224 VanDerWaalsContact N-OE2 3.09Å; C221-E224 PolarHBondContact O-N 3.21Å; C221-E224 WeakPolarHBondContact SG-CG 3.49Å; C221-E224 PolarHBondContact SG-N 3.09Å; C221-E224 PolarHBondContact SG-OE2 2.96Å; C221-E224 VanDerWaalsContact SG-OE2 3.33Å; C221-F225 PolarHBondContact O-N 3.45Å; C221-N319 VanDerWaalsContact CA-O 3.25Å; C221-N319 WeakPolarHBondContact CA-O 3.24Å; C221-N319 WeakPolarHBondContact CB-O 3.4Å; C221-E320 HydrophobicContact CB-CG 4.47Å | ||
| 222 | H | 76.4 | Confident | 73.6 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -50.8 | -40 | 178.1 | 177.4 | 67.1 | 0 | 0 | 0 | 112.7 | F225 L226 L314 I317 N319 | H222-F225 PolarHBondContact O-N 3.27Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.41Å; H222-L226 WeakPolarHBondContact O-CG 3.44Å; H222-L226 PolarHBondContact O-N 3.31Å; H222-L314 PolarHBondContact CE1-O 2.87Å; H222-L314 PolarHBondContact ND1-O 3.05Å; H222-I317 HydrophobicContact CB-CG2 4.32Å; H222-N319 PolarHBondContact N-O 3.05Å |
| 223 | T | 76.7 | Confident | 74 | Confident | 84 Ų | 84 | 50.8 Ų | 50.8 | 52% | 0.515 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69 | -35 | 179.6 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | C221 K227 | C221-T223 PolarHBondContact O-N 2.7Å; C221-T223 VanDerWaalsContact O-N 3.1Å; C221-T223 PolarHBondContact SG-OG1 3.49Å; T223-K227 WeakPolarHBondContact O-CG 3.12Å; T223-K227 PolarHBondContact O-N 3.09Å |
| 224 | E | 79.6 | Confident | 74.8 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.7 | -37.9 | 173.5 | -77.4 | 167 | 164 | 0 | 0 | 111.1 | C220 C221 L226 K227 L228 | C220-E224 WeakPolarHBondContact CA-OE2 3.25Å; C220-E224 HydrophobicContact CB-CB 3.71Å; C220-E224 VanDerWaalsContact CB-OE2 3.31Å; C220-E224 WeakPolarHBondContact CB-OE2 3.43Å; C221-E224 PolarHBondContact N-OE2 3.49Å; C221-E224 VanDerWaalsContact N-OE2 3.09Å; C221-E224 PolarHBondContact O-N 3.21Å; C221-E224 WeakPolarHBondContact SG-CG 3.49Å; C221-E224 PolarHBondContact SG-N 3.09Å; C221-E224 PolarHBondContact SG-OE2 2.96Å; C221-E224 VanDerWaalsContact SG-OE2 3.33Å; E224-L226 VanDerWaalsContact C-N 3.34Å; E224-L226 PolarHBondContact O-N 3.17Å; E224-K227 WeakPolarHBondContact O-CB 3.47Å; E224-K227 PolarHBondContact O-N 2.91Å; E224-K227 VanDerWaalsContact O-N 3.13Å; E224-L228 PolarHBondContact O-N 2.69Å |
| 225 | F | 83.5 | Confident | 76 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 173.8 | -176.2 | -99.4 | 0 | 0 | 0 | 111.8 | C221 H222 K227 L228 M229 L314 I317 H334 H353 F356 | C221-F225 PolarHBondContact O-N 3.45Å; H222-F225 PolarHBondContact O-N 3.27Å; F225-K227 VanDerWaalsContact C-N 3.31Å; F225-K227 PolarHBondContact O-N 2.86Å; F225-L228 VanDerWaalsContact O-CB 3.31Å; F225-L228 WeakPolarHBondContact O-CB 3.34Å; F225-L228 PolarHBondContact O-N 3.08Å; F225-L228 VanDerWaalsContact O-N 3.15Å; F225-M229 HydrophobicContact CD1-CG 4.35Å; F225-M229 HydrophobicContact CE1-CE 4.38Å; F225-M229 HydrophobicContact CE1-CG 3.89Å; F225-M229 HydrophobicContact CE1-SD 3.79Å; F225-M229 HydrophobicContact CZ-CG 4.16Å; F225-M229 HydrophobicContact CZ-SD 4.17Å; F225-M229 WeakPolarHBondContact O-CG 3.26Å; F225-M229 PolarHBondContact O-N 3.38Å; F225-L314 HydrophobicContact CE1-CD2 4.08Å; F225-I317 HydrophobicContact CD1-CD1 4.12Å; F225-I317 HydrophobicContact CE1-CD1 4.22Å; F225-H334 AromaticContact CE2-CE1 3.61Å; F225-H334 AromaticContact CZ-CE1 3.62Å; F225-H353 AromaticContact CE1-CE1 3.63Å; F225-H353 AromaticContact CZ-CE1 3.37Å; F225-H353 WeakPolarHBondContact CZ-CE1 3.48Å; F225-H353 AromaticContact CZ-ND1 3.88Å; F225-H353 AromaticContact CZ-NE2 3.93Å; F225-F356 AromaticContact CD2-CD1 3.99Å; F225-F356 HydrophobicContact CD2-CD1 3.99Å; F225-F356 AromaticContact CD2-CE1 3.56Å; F225-F356 HydrophobicContact CD2-CE1 3.56Å; F225-F356 HydrophobicContact CD2-CE2 4.23Å; F225-F356 HydrophobicContact CD2-CG 4.5Å; F225-F356 AromaticContact CD2-CZ 3.69Å; F225-F356 HydrophobicContact CD2-CZ 3.69Å; F225-F356 HydrophobicContact CE2-CD1 4.02Å; F225-F356 HydrophobicContact CE2-CD2 4.04Å; F225-F356 AromaticContact CE2-CE1 3.92Å; F225-F356 HydrophobicContact CE2-CE1 3.92Å; F225-F356 AromaticContact CE2-CE2 3.91Å; F225-F356 HydrophobicContact CE2-CE2 3.91Å; F225-F356 HydrophobicContact CE2-CG 4.08Å; F225-F356 AromaticContact CE2-CZ 3.86Å; F225-F356 HydrophobicContact CE2-CZ 3.86Å |
| 226 | L | 80.1 | Confident | 77.2 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 174.4 | -70 | -179.3 | 0 | 0 | 0 | 112.7 | H222 E224 M229 N230 | H222-L226 WeakPolarHBondContact NE2-CD1 3.41Å; H222-L226 WeakPolarHBondContact O-CG 3.44Å; H222-L226 PolarHBondContact O-N 3.31Å; E224-L226 VanDerWaalsContact C-N 3.34Å; E224-L226 PolarHBondContact O-N 3.17Å; L226-M229 HydrophobicContact CD2-CE 4.01Å; L226-M229 PolarHBondContact O-N 3.39Å; L226-N230 PolarHBondContact O-N 3.43Å; L226-N230 PolarHBondContact O-ND2 3.21Å |
| 227 | K | 78.4 | Confident | 78.4 | Confident | 91 Ų | 91 | 50.9 Ų | 50.9 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 172.3 | -70.5 | 176.1 | -179.4 | 175 | 0 | 111.2 | T223 E224 F225 M229 N230 N1450 | T223-K227 WeakPolarHBondContact O-CG 3.12Å; T223-K227 PolarHBondContact O-N 3.09Å; E224-K227 WeakPolarHBondContact O-CB 3.47Å; E224-K227 PolarHBondContact O-N 2.91Å; E224-K227 VanDerWaalsContact O-N 3.13Å; F225-K227 VanDerWaalsContact C-N 3.31Å; F225-K227 PolarHBondContact O-N 2.86Å; K227-M229 PolarHBondContact O-N 2.9Å; K227-N230 PolarHBondContact O-N 2.99Å; K227-N230 VanDerWaalsContact O-N 3.1Å; K227-N1450 WeakPolarHBondContact CD-ND2 3.29Å; K227-N1450 PolarHBondContact NZ-OD1 3.4Å |
| 228 | L | 76.5 | Confident | 79.1 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 18% | 0.183 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -26.5 | 175.1 | -96 | 156.6 | 0 | 0 | 0 | 113.6 | H215 E224 F225 Q231 F356 | H215-L228 HydrophobicContact CB-CD2 3.99Å; E224-L228 PolarHBondContact O-N 2.69Å; F225-L228 VanDerWaalsContact O-CB 3.31Å; F225-L228 WeakPolarHBondContact O-CB 3.34Å; F225-L228 PolarHBondContact O-N 3.08Å; F225-L228 VanDerWaalsContact O-N 3.15Å; L228-Q231 WeakPolarHBondContact O-CG 3.41Å; L228-Q231 PolarHBondContact O-NE2 2.65Å; L228-F356 HydrophobicContact CD1-CZ 4.32Å |
| 229 | M | 76.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -76.3 | -26.9 | 173.4 | -65.5 | -139.7 | -65.1 | 0 | 0 | 113.3 | F225 L226 K227 Q231 G277 L314 | F225-M229 HydrophobicContact CD1-CG 4.35Å; F225-M229 HydrophobicContact CE1-CE 4.38Å; F225-M229 HydrophobicContact CE1-CG 3.89Å; F225-M229 HydrophobicContact CE1-SD 3.79Å; F225-M229 HydrophobicContact CZ-CG 4.16Å; F225-M229 HydrophobicContact CZ-SD 4.17Å; F225-M229 WeakPolarHBondContact O-CG 3.26Å; F225-M229 PolarHBondContact O-N 3.38Å; L226-M229 HydrophobicContact CD2-CE 4.01Å; L226-M229 PolarHBondContact O-N 3.39Å; K227-M229 PolarHBondContact O-N 2.9Å; M229-Q231 PolarHBondContact O-N 2.97Å; M229-G277 VanDerWaalsContact CE-CA 3.43Å; M229-L314 HydrophobicContact CE-CD1 3.95Å; M229-L314 HydrophobicContact CE-CD2 3.84Å |
| 230 | N | 69.7 | Low | 80.7 | Confident | 72 Ų | 72 | 48 Ų | 48 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -90.4 | 72 | 177.7 | -69.3 | -44.5 | 0 | 0 | 0 | 110.8 | L226 K227 N276 | L226-N230 PolarHBondContact O-N 3.43Å; L226-N230 PolarHBondContact O-ND2 3.21Å; K227-N230 PolarHBondContact O-N 2.99Å; K227-N230 VanDerWaalsContact O-N 3.1Å; N230-N276 WeakPolarHBondContact OD1-CB 3.47Å; N230-N276 PolarHBondContact OD1-O 3.05Å |
| 231 | Q | 70.9 | Confident | 81.6 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 13% | 0.131 | 24% | 0.238 | C | C | . | . | trans | -86.4 | 154.6 | -178.6 | -58.6 | -174.9 | -11.2 | 0 | 0 | 111.7 | L228 M229 E233 T234 E235 | L228-Q231 WeakPolarHBondContact O-CG 3.41Å; L228-Q231 PolarHBondContact O-NE2 2.65Å; M229-Q231 PolarHBondContact O-N 2.97Å; Q231-E233 PolarHBondContact O-N 2.67Å; Q231-T234 PolarHBondContact N-OG1 3.11Å; Q231-T234 PolarHBondContact O-N 3.31Å; Q231-T234 VanDerWaalsContact O-N 3.12Å; Q231-T234 PolarHBondContact O-OG1 3.48Å; Q231-E235 PolarHBondContact O-N 3.34Å | ||
| 232 | N | 74.7 | Confident | 82.5 | Confident | 123 Ų | 123 | 49.2 Ų | 49.2 | 66% | 0.658 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -54.2 | -29.2 | 174.8 | -77.9 | -13.2 | 0 | 0 | 0 | 112.9 | K236 | N232-K236 WeakPolarHBondContact O-CE 3.35Å; N232-K236 WeakPolarHBondContact O-CG 3.42Å; N232-K236 PolarHBondContact O-N 2.9Å; N232-K236 VanDerWaalsContact O-N 3.16Å |
| 233 | E | 80.6 | Confident | 83.2 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.5 | -40.5 | -179.9 | -63.8 | -176.4 | -177.2 | 0 | 0 | 112.7 | L208 N211 Q231 K236 A237 | L208-E233 HydrophobicContact CD2-CB 4.25Å; N211-E233 WeakPolarHBondContact CB-OE2 3.5Å; N211-E233 PolarHBondContact ND2-OE2 3.14Å; Q231-E233 PolarHBondContact O-N 2.67Å; E233-K236 PolarHBondContact O-N 3.08Å; E233-A237 PolarHBondContact O-N 3.11Å |
| 234 | T | 83.3 | Confident | 83.9 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.9 | -32.1 | 178.2 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | I209 Q231 A237 L238 C275 N276 | I209-T234 HydrophobicContact CG2-CG2 4.47Å; Q231-T234 PolarHBondContact N-OG1 3.11Å; Q231-T234 PolarHBondContact O-N 3.31Å; Q231-T234 VanDerWaalsContact O-N 3.12Å; Q231-T234 PolarHBondContact O-OG1 3.48Å; T234-A237 PolarHBondContact O-N 3.32Å; T234-L238 WeakPolarHBondContact O-CB 3.44Å; T234-L238 PolarHBondContact O-N 3.44Å; T234-C275 HydrophobicContact CG2-CB 4.29Å; T234-N276 WeakPolarHBondContact CB-OD1 3.06Å; T234-N276 PolarHBondContact OG1-OD1 2.89Å |
| 235 | E | 86.3 | Confident | 84.4 | Confident | 110 Ų | 110 | 43 Ų | 43 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 170.7 | -72 | -170.3 | 164.3 | 0 | 0 | 112.2 | Q231 A237 L238 E239 | Q231-E235 PolarHBondContact O-N 3.34Å; E235-A237 VanDerWaalsContact C-N 3.32Å; E235-A237 PolarHBondContact O-N 3.33Å; E235-L238 WeakPolarHBondContact O-CB 3.21Å; E235-L238 PolarHBondContact O-N 3.29Å; E235-E239 PolarHBondContact O-N 2.94Å |
| 236 | K | 88.5 | Confident | 84.6 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 172.8 | -67.6 | 164.8 | -151.9 | -148.2 | 0 | 111.7 | L208 N232 E233 L238 E239 I240 S1127 | L208-K236 HydrophobicContact CD1-CB 3.86Å; N232-K236 WeakPolarHBondContact O-CE 3.35Å; N232-K236 WeakPolarHBondContact O-CG 3.42Å; N232-K236 PolarHBondContact O-N 2.9Å; N232-K236 VanDerWaalsContact O-N 3.16Å; E233-K236 PolarHBondContact O-N 3.08Å; K236-L238 VanDerWaalsContact C-N 3.29Å; K236-L238 PolarHBondContact O-N 3.43Å; K236-E239 PolarHBondContact O-N 3.15Å; K236-I240 VanDerWaalsContact O-CG1 3.29Å; K236-I240 WeakPolarHBondContact O-CG1 3.46Å; K236-I240 PolarHBondContact O-N 3.46Å; K236-S1127 VanDerWaalsContact CD-CB 3.49Å; K236-S1127 WeakPolarHBondContact CD-OG 3.26Å; K236-S1127 WeakPolarHBondContact CE-OG 3.39Å; K236-S1127 WeakPolarHBondContact CG-OG 3.42Å; K236-S1127 PolarHBondContact NZ-OG 2.58Å |
| 237 | A | 90.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L208 I209 E233 T234 E235 I240 V241 I272 | L208-A237 HydrophobicContact CB-CB 3.85Å; L208-A237 HydrophobicContact CD1-CB 3.99Å; I209-A237 HydrophobicContact CG2-CB 4.02Å; E233-A237 PolarHBondContact O-N 3.11Å; T234-A237 PolarHBondContact O-N 3.32Å; E235-A237 VanDerWaalsContact C-N 3.32Å; E235-A237 PolarHBondContact O-N 3.33Å; A237-I240 PolarHBondContact O-N 2.84Å; A237-V241 WeakPolarHBondContact O-CG2 3.38Å; A237-V241 PolarHBondContact O-N 3.47Å; A237-V241 VanDerWaalsContact O-N 3.1Å; A237-I272 HydrophobicContact CB-CD1 4Å; A237-I272 HydrophobicContact CB-CG1 4.19Å |
| 238 | L | 90.7 | Very high | 85 | Confident | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 176.2 | -172.3 | 64.5 | 0 | 0 | 0 | 111.3 | T234 E235 K236 I240 V241 Q242 L269 I272 | T234-L238 WeakPolarHBondContact O-CB 3.44Å; T234-L238 PolarHBondContact O-N 3.44Å; E235-L238 WeakPolarHBondContact O-CB 3.21Å; E235-L238 PolarHBondContact O-N 3.29Å; K236-L238 VanDerWaalsContact C-N 3.29Å; K236-L238 PolarHBondContact O-N 3.43Å; L238-I240 PolarHBondContact O-N 3.11Å; L238-V241 PolarHBondContact O-N 3.32Å; L238-Q242 HydrophobicContact CD1-CG 4.07Å; L238-Q242 HydrophobicContact CG-CG 4.28Å; L238-Q242 VanDerWaalsContact O-CB 3.27Å; L238-Q242 WeakPolarHBondContact O-CB 3.43Å; L238-Q242 VanDerWaalsContact O-CG 3.28Å; L238-Q242 WeakPolarHBondContact O-CG 3.44Å; L238-Q242 PolarHBondContact O-N 3.25Å; L238-L269 HydrophobicContact CD1-CD1 3.49Å; L238-L269 VanDerWaalsContact CD1-CD1 3.49Å; L238-I272 HydrophobicContact CB-CG2 3.89Å; L238-I272 HydrophobicContact CD1-CG2 3.98Å |
| 239 | E | 92.1 | Very high | 85.2 | Confident | 97 Ų | 97 | 46.4 Ų | 46.4 | 45% | 0.453 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 178.2 | -170.8 | -170.1 | 167.7 | 0 | 0 | 111.9 | E235 K236 V241 T243 | E235-E239 PolarHBondContact O-N 2.94Å; K236-E239 PolarHBondContact O-N 3.15Å; E239-V241 PolarHBondContact O-N 2.91Å; E239-T243 HydrophobicContact CG-CG2 4.26Å; E239-T243 VanDerWaalsContact O-CB 3.29Å; E239-T243 WeakPolarHBondContact O-CB 3.43Å; E239-T243 WeakPolarHBondContact O-CG2 3.3Å; E239-T243 PolarHBondContact O-N 3.47Å; E239-T243 PolarHBondContact O-OG1 3.19Å |
| 240 | I | 92.6 | Very high | 85.3 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | -179.4 | -68.2 | 165 | 0 | 0 | 0 | 111.3 | F178 I185 L208 K236 A237 L238 T243 T244 | F178-I240 HydrophobicContact CE2-CD1 3.64Å; F178-I240 HydrophobicContact CZ-CD1 3.84Å; I185-I240 HydrophobicContact CD1-CG2 4.07Å; L208-I240 HydrophobicContact CD1-CD1 4Å; K236-I240 VanDerWaalsContact O-CG1 3.29Å; K236-I240 WeakPolarHBondContact O-CG1 3.46Å; K236-I240 PolarHBondContact O-N 3.46Å; A237-I240 PolarHBondContact O-N 2.84Å; L238-I240 PolarHBondContact O-N 3.11Å; I240-T243 PolarHBondContact O-OG1 3.31Å; I240-T243 VanDerWaalsContact O-OG1 3.12Å; I240-T244 WeakPolarHBondContact O-CB 3.24Å; I240-T244 PolarHBondContact O-N 2.98Å; I240-T244 PolarHBondContact O-OG1 3.05Å |
| 241 | V | 93.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.3 | -45.7 | -177.9 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | A237 L238 E239 T244 L245 L265 L268 L269 I272 | A237-V241 WeakPolarHBondContact O-CG2 3.38Å; A237-V241 PolarHBondContact O-N 3.47Å; A237-V241 VanDerWaalsContact O-N 3.1Å; L238-V241 PolarHBondContact O-N 3.32Å; E239-V241 PolarHBondContact O-N 2.91Å; V241-T244 PolarHBondContact O-N 3.35Å; V241-L245 HydrophobicContact CG1-CD1 3.87Å; V241-L245 HydrophobicContact CG1-CG 4.41Å; V241-L245 WeakPolarHBondContact O-CG 3.29Å; V241-L245 PolarHBondContact O-N 3.32Å; V241-L265 HydrophobicContact CG1-CD2 4.37Å; V241-L265 WeakPolarHBondContact CG1-O 3.38Å; V241-L265 HydrophobicContact CG2-CD2 4.32Å; V241-L268 HydrophobicContact CG2-CD2 3.88Å; V241-L268 HydrophobicContact CG2-CG 4.3Å; V241-L269 HydrophobicContact CG1-CB 3.92Å; V241-L269 HydrophobicContact CG1-CD1 4.4Å; V241-I272 HydrophobicContact CB-CD1 4.15Å; V241-I272 HydrophobicContact CG2-CD1 3.7Å |
| 242 | Q | 92.1 | Very high | 85.9 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 178.5 | -74.3 | -177.8 | -20.3 | 0 | 0 | 111.9 | L238 T244 L245 S246 L269 | L238-Q242 HydrophobicContact CD1-CG 4.07Å; L238-Q242 HydrophobicContact CG-CG 4.28Å; L238-Q242 VanDerWaalsContact O-CB 3.27Å; L238-Q242 WeakPolarHBondContact O-CB 3.43Å; L238-Q242 VanDerWaalsContact O-CG 3.28Å; L238-Q242 WeakPolarHBondContact O-CG 3.44Å; L238-Q242 PolarHBondContact O-N 3.25Å; Q242-T244 PolarHBondContact O-N 2.83Å; Q242-L245 PolarHBondContact O-N 3.36Å; Q242-S246 WeakPolarHBondContact O-CB 3.48Å; Q242-S246 PolarHBondContact O-N 2.89Å; Q242-S246 PolarHBondContact O-OG 3.45Å; Q242-S246 VanDerWaalsContact O-OG 3.12Å; Q242-L269 HydrophobicContact CG-CD1 3.91Å |
| 243 | T | 90.8 | Very high | 86.3 | Confident | 51 Ų | 51 | 50 Ų | 50 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -26.7 | 178.1 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | R189 E239 I240 S246 S247 | R189-T243 PolarHBondContact NH2-OG1 3.3Å; E239-T243 HydrophobicContact CG-CG2 4.26Å; E239-T243 VanDerWaalsContact O-CB 3.29Å; E239-T243 WeakPolarHBondContact O-CB 3.43Å; E239-T243 WeakPolarHBondContact O-CG2 3.3Å; E239-T243 PolarHBondContact O-N 3.47Å; E239-T243 PolarHBondContact O-OG1 3.19Å; I240-T243 PolarHBondContact O-OG1 3.31Å; I240-T243 VanDerWaalsContact O-OG1 3.12Å; T243-S246 WeakPolarHBondContact CA-OG 3.46Å; T243-S246 PolarHBondContact O-OG 2.98Å; T243-S247 PolarHBondContact O-N 2.9Å |
| 244 | T | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -79.9 | -40.1 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | R189 L197 F198 S201 I240 V241 Q242 S247 L265 | R189-T244 PolarHBondContact NH2-OG1 3.41Å; R189-T244 VanDerWaalsContact NH2-OG1 3.09Å; L197-T244 HydrophobicContact CD1-CG2 3.97Å; L197-T244 HydrophobicContact CD2-CG2 4.09Å; L197-T244 HydrophobicContact CG-CG2 3.71Å; F198-T244 HydrophobicContact CD1-CG2 3.94Å; F198-T244 HydrophobicContact CE1-CG2 4.29Å; S201-T244 PolarHBondContact OG-OG1 3.48Å; S201-T244 VanDerWaalsContact OG-OG1 3.13Å; I240-T244 WeakPolarHBondContact O-CB 3.24Å; I240-T244 PolarHBondContact O-N 2.98Å; I240-T244 PolarHBondContact O-OG1 3.05Å; V241-T244 PolarHBondContact O-N 3.35Å; Q242-T244 PolarHBondContact O-N 2.83Å; T244-S247 VanDerWaalsContact O-CB 3.26Å; T244-S247 WeakPolarHBondContact O-CB 3.48Å; T244-S247 PolarHBondContact O-N 2.68Å; T244-L265 HydrophobicContact CG2-CD1 3.81Å |
| 245 | L | 89.4 | Confident | 86.2 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.2 | -33.6 | 175.4 | -70.6 | 172.3 | 0 | 0 | 0 | 112.4 | V241 Q242 S247 S250 L265 K266 L269 | V241-L245 HydrophobicContact CG1-CD1 3.87Å; V241-L245 HydrophobicContact CG1-CG 4.41Å; V241-L245 WeakPolarHBondContact O-CG 3.29Å; V241-L245 PolarHBondContact O-N 3.32Å; Q242-L245 PolarHBondContact O-N 3.36Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-S247 PolarHBondContact O-N 3.14Å; L245-S250 WeakPolarHBondContact O-CB 3.36Å; L245-S250 PolarHBondContact O-OG 3.42Å; L245-L265 HydrophobicContact CD2-CB 3.98Å; L245-L265 HydrophobicContact CG-CB 4.45Å; L245-K266 HydrophobicContact CD1-CG 4.3Å; L245-K266 HydrophobicContact CD2-CG 4.03Å; L245-L269 HydrophobicContact CD1-CB 4.38Å; L245-L269 HydrophobicContact CD1-CD2 3.92Å |
| 246 | S | 87 | Confident | 85.8 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 57% | 0.573 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.9 | 175.8 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | Q242 T243 | Q242-S246 WeakPolarHBondContact O-CB 3.48Å; Q242-S246 PolarHBondContact O-N 2.89Å; Q242-S246 PolarHBondContact O-OG 3.45Å; Q242-S246 VanDerWaalsContact O-OG 3.12Å; T243-S246 WeakPolarHBondContact CA-OG 3.46Å; T243-S246 PolarHBondContact O-OG 2.98Å |
| 247 | S | 84.9 | Confident | 85.4 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -66.6 | 144.1 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | T243 T244 L245 L249 S250 | T243-S247 PolarHBondContact O-N 2.9Å; T244-S247 VanDerWaalsContact O-CB 3.26Å; T244-S247 WeakPolarHBondContact O-CB 3.48Å; T244-S247 PolarHBondContact O-N 2.68Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-S247 PolarHBondContact O-N 3.14Å; S247-L249 PolarHBondContact O-N 3.38Å; S247-L249 PolarHBondContact OG-N 3.01Å; S247-L249 VanDerWaalsContact OG-N 3.14Å; S247-S250 VanDerWaalsContact O-CB 3.31Å; S247-S250 WeakPolarHBondContact O-CB 3.49Å; S247-S250 PolarHBondContact O-N 3.07Å; S247-S250 PolarHBondContact O-OG 3.16Å |
| 248 | P | 81.8 | Confident | 85.1 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 77% | 0.773 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12.1 | 170.9 | 25.5 | -33.3 | 0 | 0 | 0 | 113.3 | S250 | P248-S250 VanDerWaalsContact C-N 3.27Š|
| 249 | L | 82.6 | Confident | 84.8 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.6 | 169.7 | -66.9 | 168.5 | 0 | 0 | 0 | 112.9 | Q194 L197 S247 | Q194-L249 WeakPolarHBondContact CG-O 3.38Å; Q194-L249 PolarHBondContact NE2-O 3.23Å; L197-L249 HydrophobicContact CD2-CB 4.04Å; L197-L249 HydrophobicContact CD2-CD1 3.89Å; S247-L249 PolarHBondContact O-N 3.38Å; S247-L249 PolarHBondContact OG-N 3.01Å; S247-L249 VanDerWaalsContact OG-N 3.14Å |
| 250 | S | 77.2 | Confident | 84.3 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -76.3 | -27.7 | 178.6 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | L245 S247 P248 Y253 | L245-S250 WeakPolarHBondContact O-CB 3.36Å; L245-S250 PolarHBondContact O-OG 3.42Å; S247-S250 VanDerWaalsContact O-CB 3.31Å; S247-S250 WeakPolarHBondContact O-CB 3.49Å; S247-S250 PolarHBondContact O-N 3.07Å; S247-S250 PolarHBondContact O-OG 3.16Å; P248-S250 VanDerWaalsContact C-N 3.27Å; S250-Y253 WeakPolarHBondContact O-CE1 3.34Å |
| 251 | K | 75.4 | Confident | 83.9 | Confident | 94 Ų | 94 | 54.1 Ų | 54.1 | 41% | 0.409 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -149 | 144.9 | 174.8 | -66 | -175.3 | -175.6 | 178.2 | 0 | 111.1 | Y253 | K251-Y253 HydrophobicContact CG-CE1 4.37Š|
| 252 | P | 78.2 | Confident | 83.6 | Confident | 118 Ų | 118 | 54.3 Ų | 54.3 | 77% | 0.766 | 30% | 0.296 | S | S | * | . | S | Bend | cis | -74.3 | 161.5 | -2.9 | 30.2 | -34.2 | 0 | 0 | 0 | 113.2 | Q194 | Q194-P252 PolarHBondContact NE2-O 3.07Š|
| 253 | Y | 82.1 | Confident | 83.4 | Confident | 68 Ų | 68 | 52 Ų | 52 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | trans | -80.3 | 133.4 | 178.2 | -51.7 | -62.9 | 0 | 0 | 0 | 110.6 | S250 K251 D255 K259 C262 | S250-Y253 WeakPolarHBondContact O-CE1 3.34Å; K251-Y253 HydrophobicContact CG-CE1 4.37Å; Y253-D255 VanDerWaalsContact C-N 3.31Å; Y253-K259 HydrophobicContact CD1-CB 4.22Å; Y253-K259 HydrophobicContact CD2-CB 3.83Å; Y253-K259 HydrophobicContact CD2-CD 4.22Å; Y253-K259 HydrophobicContact CD2-CG 3.82Å; Y253-K259 HydrophobicContact CE2-CB 4.24Å; Y253-K259 HydrophobicContact CE2-CD 4.31Å; Y253-K259 HydrophobicContact CE2-CG 3.79Å; Y253-K259 HydrophobicContact CG-CB 3.82Å; Y253-K259 HydrophobicContact CG-CG 4.29Å; Y253-C262 HydrophobicContact CD1-CB 4.49Å; Y253-C262 HydrophobicContact CE1-CB 3.71Å | ||
| 254 | I | 80.8 | Confident | 83.1 | Confident | 126 Ų | 126 | 49.8 Ų | 49.8 | 65% | 0.646 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -69.3 | -33.1 | 176.5 | -64.2 | 166.9 | 0 | 0 | 0 | 111 | Q194 | Q194-I254 HydrophobicContact CB-CD1 3.89Å; Q194-I254 VanDerWaalsContact OE1-CG1 3.28Å |
| 255 | D | 82.6 | Confident | 83 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 21% | 0.214 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -159.5 | 178.3 | 175.8 | 60.8 | 19.1 | 0 | 0 | 0 | 112.6 | K195 Y253 E257 A258 K259 | K195-D255 VanDerWaalsContact CE-CG 3.42Å; K195-D255 WeakPolarHBondContact CE-OD1 3.33Å; K195-D255 WeakPolarHBondContact CE-OD2 3.12Å; K195-D255 IonicContact NZ-OD1 3.58Å; K195-D255 IonicContact NZ-OD2 2.9Å; K195-D255 PolarHBondContact NZ-OD2 2.86Å; Y253-D255 VanDerWaalsContact C-N 3.31Å; D255-E257 VanDerWaalsContact C-N 3.27Å; D255-E257 PolarHBondContact O-N 2.83Å; D255-E257 PolarHBondContact OD1-N 3.46Å; D255-A258 PolarHBondContact O-N 3.44Å; D255-A258 WeakPolarHBondContact OD1-CB 3.26Å; D255-A258 PolarHBondContact OD1-N 2.68Å; D255-K259 PolarHBondContact O-N 3.05Å; D255-K259 VanDerWaalsContact O-N 3.09Å |
| 256 | N | 77.6 | Confident | 83.1 | Confident | 122 Ų | 122 | 49.6 Ų | 49.6 | 65% | 0.652 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.2 | -31.3 | 179.1 | -71.5 | -9.3 | 0 | 0 | 0 | 113.6 | K259 L260 | N256-K259 WeakPolarHBondContact O-CB 3.44Å; N256-K259 PolarHBondContact O-N 3.43Å; N256-L260 PolarHBondContact O-N 2.93Å |
| 257 | E | 80.5 | Confident | 83.3 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -43.4 | 178.2 | -175 | -169.6 | 156.5 | 0 | 0 | 110 | K195 R199 D255 K259 L260 L261 | K195-E257 HydrophobicContact CD-CG 4.47Å; K195-E257 IonicContact NZ-OE2 3.53Å; K195-E257 PolarHBondContact NZ-OE2 3.13Å; R199-E257 IonicContact CZ-OE1 2.7Å; R199-E257 IonicContact NH1-OE1 2.73Å; R199-E257 PolarHBondContact NH1-OE1 3.41Å; R199-E257 IonicContact NH2-OE1 3.67Å; R199-E257 PolarHBondContact NH2-OE1 3.4Å; D255-E257 VanDerWaalsContact C-N 3.27Å; D255-E257 PolarHBondContact O-N 2.83Å; D255-E257 PolarHBondContact OD1-N 3.46Å; E257-K259 VanDerWaalsContact C-N 3.31Å; E257-K259 PolarHBondContact O-N 3.03Å; E257-L260 PolarHBondContact O-N 3.18Å; E257-L261 HydrophobicContact CG-CD1 4.2Å; E257-L261 WeakPolarHBondContact O-CB 3.25Å; E257-L261 VanDerWaalsContact O-CG 3.3Å; E257-L261 WeakPolarHBondContact O-CG 3.46Å; E257-L261 PolarHBondContact O-N 3.42Å |
| 258 | A | 83.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q194 K195 F198 D255 C262 | Q194-A258 HydrophobicContact CG-CB 4.29Å; K195-A258 HydrophobicContact CG-CB 4.24Å; F198-A258 WeakPolarHBondContact CD2-O 3.36Å; F198-A258 HydrophobicContact CE2-CB 4.33Å; F198-A258 WeakPolarHBondContact CE2-O 2.95Å; D255-A258 PolarHBondContact O-N 3.44Å; D255-A258 WeakPolarHBondContact OD1-CB 3.26Å; D255-A258 PolarHBondContact OD1-N 2.68Å; A258-C262 WeakPolarHBondContact O-CB 3.35Å; A258-C262 PolarHBondContact O-N 3.44Å |
| 259 | K | 84.4 | Confident | 84.2 | Confident | 106 Ų | 106 | 39.7 Ų | 39.7 | 46% | 0.461 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.4 | -49.2 | 174 | -177.1 | 180 | 178.8 | -176.6 | 0 | 111.4 | Y253 D255 N256 E257 C262 V263 | Y253-K259 HydrophobicContact CD1-CB 4.22Å; Y253-K259 HydrophobicContact CD2-CB 3.83Å; Y253-K259 HydrophobicContact CD2-CD 4.22Å; Y253-K259 HydrophobicContact CD2-CG 3.82Å; Y253-K259 HydrophobicContact CE2-CB 4.24Å; Y253-K259 HydrophobicContact CE2-CD 4.31Å; Y253-K259 HydrophobicContact CE2-CG 3.79Å; Y253-K259 HydrophobicContact CG-CB 3.82Å; Y253-K259 HydrophobicContact CG-CG 4.29Å; D255-K259 PolarHBondContact O-N 3.05Å; D255-K259 VanDerWaalsContact O-N 3.09Å; N256-K259 WeakPolarHBondContact O-CB 3.44Å; N256-K259 PolarHBondContact O-N 3.43Å; E257-K259 VanDerWaalsContact C-N 3.31Å; E257-K259 PolarHBondContact O-N 3.03Å; K259-C262 WeakPolarHBondContact O-CB 3.35Å; K259-C262 PolarHBondContact O-N 3.16Å; K259-V263 PolarHBondContact O-N 3.35Å; K259-V263 VanDerWaalsContact O-N 3.07Å |
| 260 | L | 80.6 | Confident | 84.6 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 18% | 0.183 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 178.5 | 179.8 | 71.2 | 0 | 0 | 0 | 112 | N256 E257 C262 V263 N264 V621 E625 V626 | N256-L260 PolarHBondContact O-N 2.93Å; E257-L260 PolarHBondContact O-N 3.18Å; L260-C262 PolarHBondContact O-N 3.23Å; L260-V263 WeakPolarHBondContact O-CB 3.4Å; L260-V263 PolarHBondContact O-N 2.89Å; L260-V263 VanDerWaalsContact O-N 3.07Å; L260-N264 PolarHBondContact O-N 3.3Å; L260-N264 PolarHBondContact O-OD1 3.11Å; L260-V621 HydrophobicContact CD1-CG1 3.6Å; L260-V621 HydrophobicContact CD2-CG1 3.31Å; L260-V621 HydrophobicContact CG-CG1 4.06Å; L260-E625 HydrophobicContact CD2-CB 3.52Å; L260-E625 HydrophobicContact CD2-CG 3.9Å; L260-E625 WeakPolarHBondContact CD2-OE2 3.36Å; L260-V626 HydrophobicContact CD2-CG2 4.39Å |
| 261 | L | 85.6 | Confident | 85.4 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.3 | -36.6 | 175.5 | -78.2 | 166.8 | 0 | 0 | 0 | 112.3 | K195 F198 R199 E257 N264 L265 V626 | K195-L261 HydrophobicContact CB-CD1 3.98Å; K195-L261 HydrophobicContact CG-CD1 4.17Å; F198-L261 HydrophobicContact CB-CB 3.78Å; F198-L261 HydrophobicContact CD2-CB 3.74Å; F198-L261 HydrophobicContact CG-CB 4.25Å; R199-L261 HydrophobicContact CG-CD1 4.25Å; R199-L261 HydrophobicContact CG-CD2 3.65Å; E257-L261 HydrophobicContact CG-CD1 4.2Å; E257-L261 WeakPolarHBondContact O-CB 3.25Å; E257-L261 VanDerWaalsContact O-CG 3.3Å; E257-L261 WeakPolarHBondContact O-CG 3.46Å; E257-L261 PolarHBondContact O-N 3.42Å; L261-N264 PolarHBondContact O-N 3.4Å; L261-L265 PolarHBondContact O-N 3.48Å; L261-V626 HydrophobicContact CD2-CB 3.87Å; L261-V626 HydrophobicContact CD2-CG1 3.55Å; L261-V626 HydrophobicContact CD2-CG2 3.36Å; L261-V626 HydrophobicContact CG-CG2 3.97Å |
| 262 | C | 86.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.5 | -39.6 | 174.9 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | F198 Y253 A258 K259 L260 N264 L265 K266 | F198-C262 HydrophobicContact CD2-CB 4.34Å; F198-C262 HydrophobicContact CE2-CB 3.94Å; F198-C262 HydrophobicContact CZ-CB 4.29Å; Y253-C262 HydrophobicContact CD1-CB 4.49Å; Y253-C262 HydrophobicContact CE1-CB 3.71Å; A258-C262 WeakPolarHBondContact O-CB 3.35Å; A258-C262 PolarHBondContact O-N 3.44Å; K259-C262 WeakPolarHBondContact O-CB 3.35Å; K259-C262 PolarHBondContact O-N 3.16Å; L260-C262 PolarHBondContact O-N 3.23Å; C262-N264 VanDerWaalsContact C-N 3.3Å; C262-N264 PolarHBondContact O-N 3.49Å; C262-L265 WeakPolarHBondContact O-CB 3.44Å; C262-L265 PolarHBondContact O-N 3.3Å; C262-K266 PolarHBondContact O-N 3.48Å; C262-K266 VanDerWaalsContact O-N 3.09Å |
| 263 | V | 86.6 | Confident | 86.7 | Confident | 16 Ų | 16 | 27.6 Ų | 27.6 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -44 | 172.3 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | K259 L260 L265 K266 E267 L289 | K259-V263 PolarHBondContact O-N 3.35Å; K259-V263 VanDerWaalsContact O-N 3.07Å; L260-V263 WeakPolarHBondContact O-CB 3.4Å; L260-V263 PolarHBondContact O-N 2.89Å; L260-V263 VanDerWaalsContact O-N 3.07Å; V263-L265 VanDerWaalsContact C-N 3.3Å; V263-L265 PolarHBondContact O-N 3.2Å; V263-K266 WeakPolarHBondContact O-CA 3.21Å; V263-K266 WeakPolarHBondContact O-CB 3.39Å; V263-K266 PolarHBondContact O-N 2.93Å; V263-E267 PolarHBondContact O-N 3.1Å; V263-L289 HydrophobicContact CG1-CD2 4.02Å |
| 264 | N | 85.7 | Confident | 87.1 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.9 | -31.1 | 179.7 | -66.5 | 1.7 | 0 | 0 | 0 | 112.9 | Y202 L260 L261 C262 E267 L268 K622 V626 | Y202-N264 HydrophobicContact CD2-CB 4.31Å; Y202-N264 HydrophobicContact CE2-CB 4.36Å; L260-N264 PolarHBondContact O-N 3.3Å; L260-N264 PolarHBondContact O-OD1 3.11Å; L261-N264 PolarHBondContact O-N 3.4Å; C262-N264 VanDerWaalsContact C-N 3.3Å; C262-N264 PolarHBondContact O-N 3.49Å; N264-E267 PolarHBondContact O-N 3.37Å; N264-L268 WeakPolarHBondContact O-CB 3.43Å; N264-L268 PolarHBondContact O-N 2.81Å; N264-K622 WeakPolarHBondContact ND2-CG 3.18Å; N264-V626 WeakPolarHBondContact ND2-CB 3.33Å; N264-V626 WeakPolarHBondContact ND2-CG2 3.35Å |
| 265 | L | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 169.7 | -81.6 | 173.8 | 0 | 0 | 0 | 112.5 | F198 V241 T244 L245 L261 C262 V263 L268 L269 | F198-L265 HydrophobicContact CB-CD1 3.84Å; F198-L265 HydrophobicContact CD1-CD1 3.6Å; F198-L265 HydrophobicContact CE1-CD1 4.44Å; F198-L265 HydrophobicContact CG-CD1 3.92Å; V241-L265 HydrophobicContact CG1-CD2 4.37Å; V241-L265 WeakPolarHBondContact CG1-O 3.38Å; V241-L265 HydrophobicContact CG2-CD2 4.32Å; T244-L265 HydrophobicContact CG2-CD1 3.81Å; L245-L265 HydrophobicContact CD2-CB 3.98Å; L245-L265 HydrophobicContact CG-CB 4.45Å; L261-L265 PolarHBondContact O-N 3.48Å; C262-L265 WeakPolarHBondContact O-CB 3.44Å; C262-L265 PolarHBondContact O-N 3.3Å; V263-L265 VanDerWaalsContact C-N 3.3Å; V263-L265 PolarHBondContact O-N 3.2Å; L265-L268 PolarHBondContact O-N 2.75Å; L265-L269 PolarHBondContact O-N 2.95Å |
| 266 | K | 91 | Very high | 87.6 | Confident | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.022 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.3 | -38.5 | 174.3 | -68.4 | 176.5 | 173.7 | -170 | 0 | 111.4 | L245 C262 V263 L269 A270 V285 L289 D292 I574 | L245-K266 HydrophobicContact CD1-CG 4.3Å; L245-K266 HydrophobicContact CD2-CG 4.03Å; C262-K266 PolarHBondContact O-N 3.48Å; C262-K266 VanDerWaalsContact O-N 3.09Å; V263-K266 WeakPolarHBondContact O-CA 3.21Å; V263-K266 WeakPolarHBondContact O-CB 3.39Å; V263-K266 PolarHBondContact O-N 2.93Å; K266-L269 WeakPolarHBondContact O-CB 3.25Å; K266-L269 PolarHBondContact O-N 2.92Å; K266-A270 PolarHBondContact O-N 2.96Å; K266-A270 VanDerWaalsContact O-N 3.14Å; K266-V285 WeakPolarHBondContact O-CG1 3.44Å; K266-L289 HydrophobicContact CB-CD1 4.19Å; K266-L289 HydrophobicContact CB-CD2 3.81Å; K266-L289 HydrophobicContact CB-CG 4.27Å; K266-L289 HydrophobicContact CD-CD2 3.79Å; K266-L289 HydrophobicContact CG-CD2 4.49Å; K266-D292 IonicContact NZ-OD2 3.6Å; K266-D292 PolarHBondContact NZ-OD2 3.31Å; K266-I574 HydrophobicContact CD-CG2 4.23Å; K266-I574 PolarHBondContact NZ-O 3.32Å |
| 267 | E | 90.9 | Very high | 87.9 | Confident | 9 Ų | 9 | 12.2 Ų | 12.2 | 4% | 0.042 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 172.1 | -70.4 | -179.7 | 175.4 | 0 | 0 | 111.7 | V263 N264 L269 A270 Q271 L289 Y300 K622 | V263-E267 PolarHBondContact O-N 3.1Å; N264-E267 PolarHBondContact O-N 3.37Å; E267-L269 VanDerWaalsContact C-N 3.27Å; E267-L269 PolarHBondContact O-N 2.85Å; E267-A270 WeakPolarHBondContact O-CB 3.47Å; E267-A270 PolarHBondContact O-N 3.4Å; E267-Q271 WeakPolarHBondContact O-CG 3.39Å; E267-Q271 PolarHBondContact O-N 3.36Å; E267-L289 HydrophobicContact CB-CD1 4.47Å; E267-L289 HydrophobicContact CG-CD1 3.69Å; E267-Y300 HydrophobicContact CG-CE1 4Å; E267-Y300 WeakPolarHBondContact OE1-CE1 3.42Å; E267-Y300 PolarHBondContact OE1-OH 2.94Å; E267-K622 IonicContact OE2-NZ 3.79Å |
| 268 | L | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.6 | -37.3 | 175.9 | -177.6 | 62.7 | 0 | 0 | 0 | 111.5 | Y202 E206 I209 V241 N264 L265 A270 Q271 I272 | Y202-L268 HydrophobicContact CD2-CB 4.1Å; Y202-L268 HydrophobicContact CD2-CD2 3.8Å; Y202-L268 HydrophobicContact CE2-CB 4.02Å; Y202-L268 HydrophobicContact CE2-CD2 4.18Å; Y202-L268 HydrophobicContact CG-CD2 4.15Å; Y202-L268 WeakPolarHBondContact O-CD2 3.45Å; E206-L268 HydrophobicContact CB-CD1 4.34Å; I209-L268 HydrophobicContact CD1-CD1 3.61Å; V241-L268 HydrophobicContact CG2-CD2 3.88Å; V241-L268 HydrophobicContact CG2-CG 4.3Å; N264-L268 WeakPolarHBondContact O-CB 3.43Å; N264-L268 PolarHBondContact O-N 2.81Å; L265-L268 PolarHBondContact O-N 2.75Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.35Å; L268-Q271 WeakPolarHBondContact O-CB 3.28Å; L268-Q271 PolarHBondContact O-N 3.19Å; L268-I272 HydrophobicContact CG-CD1 4.05Å; L268-I272 HydrophobicContact CG-CG1 4.47Å; L268-I272 WeakPolarHBondContact O-CD1 3.31Å; L268-I272 VanDerWaalsContact O-CG1 3.25Å; L268-I272 WeakPolarHBondContact O-CG1 3.43Å; L268-I272 PolarHBondContact O-N 3.15Å |
| 269 | L | 93.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 172.7 | 178.5 | 65 | 0 | 0 | 0 | 111.8 | L238 V241 Q242 L245 L265 K266 E267 I272 H273 V285 | L238-L269 HydrophobicContact CD1-CD1 3.49Å; L238-L269 VanDerWaalsContact CD1-CD1 3.49Å; V241-L269 HydrophobicContact CG1-CB 3.92Å; V241-L269 HydrophobicContact CG1-CD1 4.4Å; Q242-L269 HydrophobicContact CG-CD1 3.91Å; L245-L269 HydrophobicContact CD1-CB 4.38Å; L245-L269 HydrophobicContact CD1-CD2 3.92Å; L265-L269 PolarHBondContact O-N 2.95Å; K266-L269 WeakPolarHBondContact O-CB 3.25Å; K266-L269 PolarHBondContact O-N 2.92Å; E267-L269 VanDerWaalsContact C-N 3.27Å; E267-L269 PolarHBondContact O-N 2.85Å; L269-I272 PolarHBondContact O-N 2.87Å; L269-H273 PolarHBondContact O-CD2 2.83Å; L269-H273 VanDerWaalsContact O-CD2 3.31Å; L269-H273 PolarHBondContact O-N 3.02Å; L269-H273 VanDerWaalsContact O-N 3.11Å; L269-V285 HydrophobicContact CD2-CG2 4.46Å |
| 270 | A | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K266 E267 L268 H273 L274 A282 V285 F286 | K266-A270 PolarHBondContact O-N 2.96Å; K266-A270 VanDerWaalsContact O-N 3.14Å; E267-A270 WeakPolarHBondContact O-CB 3.47Å; E267-A270 PolarHBondContact O-N 3.4Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.35Å; A270-H273 WeakPolarHBondContact O-CB 3.03Å; A270-H273 PolarHBondContact O-N 3.13Å; A270-L274 PolarHBondContact O-N 2.85Å; A270-A282 HydrophobicContact CB-CB 4.38Å; A270-A282 VanDerWaalsContact O-CB 3.29Å; A270-A282 WeakPolarHBondContact O-CB 3.49Å; A270-V285 HydrophobicContact CB-CB 3.86Å; A270-V285 HydrophobicContact CB-CG1 3.9Å; A270-F286 HydrophobicContact CB-CD1 4.11Å; A270-F286 HydrophobicContact CB-CD2 4.11Å; A270-F286 HydrophobicContact CB-CE1 3.69Å; A270-F286 HydrophobicContact CB-CE2 3.69Å; A270-F286 HydrophobicContact CB-CG 4.3Å; A270-F286 HydrophobicContact CB-CZ 3.45Å; A270-F286 VanDerWaalsContact CB-CZ 3.45Å |
| 271 | Q | 92 | Very high | 88.4 | Confident | 17 Ų | 17 | 18.4 Ų | 18.4 | 8% | 0.079 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.5 | -72.6 | 176.8 | -13.7 | 0 | 0 | 112.3 | I209 E267 L268 H273 L274 C275 L346 | I209-Q271 HydrophobicContact CD1-CB 4.36Å; E267-Q271 WeakPolarHBondContact O-CG 3.39Å; E267-Q271 PolarHBondContact O-N 3.36Å; L268-Q271 WeakPolarHBondContact O-CB 3.28Å; L268-Q271 PolarHBondContact O-N 3.19Å; Q271-H273 VanDerWaalsContact C-N 3.25Å; Q271-H273 PolarHBondContact O-N 3.09Å; Q271-L274 WeakPolarHBondContact O-CA 3.22Å; Q271-L274 WeakPolarHBondContact O-CB 3.4Å; Q271-L274 PolarHBondContact O-N 2.92Å; Q271-C275 PolarHBondContact O-N 2.78Å; Q271-C275 PolarHBondContact O-SG 3.05Å; Q271-L346 HydrophobicContact CB-CD1 4.31Å; Q271-L346 HydrophobicContact CB-CD2 4.09Å; Q271-L346 HydrophobicContact CG-CD1 4.43Å; Q271-L346 HydrophobicContact CG-CD2 4.3Å |
| 272 | I | 91.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 174.9 | -67.2 | 159.1 | 0 | 0 | 0 | 110.5 | I209 A237 L238 V241 L268 L269 L274 C275 N276 | I209-I272 HydrophobicContact CG2-CB 4.47Å; I209-I272 HydrophobicContact CG2-CG1 3.67Å; A237-I272 HydrophobicContact CB-CD1 4Å; A237-I272 HydrophobicContact CB-CG1 4.19Å; L238-I272 HydrophobicContact CB-CG2 3.89Å; L238-I272 HydrophobicContact CD1-CG2 3.98Å; V241-I272 HydrophobicContact CB-CD1 4.15Å; V241-I272 HydrophobicContact CG2-CD1 3.7Å; L268-I272 HydrophobicContact CG-CD1 4.05Å; L268-I272 HydrophobicContact CG-CG1 4.47Å; L268-I272 WeakPolarHBondContact O-CD1 3.31Å; L268-I272 VanDerWaalsContact O-CG1 3.25Å; L268-I272 WeakPolarHBondContact O-CG1 3.43Å; L268-I272 PolarHBondContact O-N 3.15Å; L269-I272 PolarHBondContact O-N 2.87Å; I272-L274 PolarHBondContact O-N 2.97Å; I272-C275 WeakPolarHBondContact O-CB 3.2Å; I272-C275 PolarHBondContact O-N 2.69Å; I272-N276 PolarHBondContact O-N 3.06Å; I272-N276 VanDerWaalsContact O-N 3.11Å |
| 273 | H | 90.5 | Very high | 88.6 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 174.1 | -76.4 | -43.3 | 0 | 0 | 0 | 113 | L269 A270 Q271 N276 G277 N278 K281 A282 | L269-H273 PolarHBondContact O-CD2 2.83Å; L269-H273 VanDerWaalsContact O-CD2 3.31Å; L269-H273 PolarHBondContact O-N 3.02Å; L269-H273 VanDerWaalsContact O-N 3.11Å; A270-H273 WeakPolarHBondContact O-CB 3.03Å; A270-H273 PolarHBondContact O-N 3.13Å; Q271-H273 VanDerWaalsContact C-N 3.25Å; Q271-H273 PolarHBondContact O-N 3.09Å; H273-N276 PolarHBondContact O-N 2.68Å; H273-G277 PolarHBondContact O-N 2.9Å; H273-N278 HydrophobicContact CB-CB 4.28Å; H273-N278 CarbonylContact O-C 3.28Å; H273-N278 WeakPolarHBondContact O-CA 3.23Å; H273-N278 WeakPolarHBondContact O-CB 3.42Å; H273-N278 PolarHBondContact O-N 2.9Å; H273-K281 HydrophobicContact CB-CB 4.19Å; H273-A282 HydrophobicContact CB-CB 4.04Å |
| 274 | L | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 172.9 | -66.9 | 174.5 | 0 | 0 | 0 | 112.2 | A270 Q271 I272 N276 G277 A282 F286 L310 Y341 I344 L346 | A270-L274 PolarHBondContact O-N 2.85Å; Q271-L274 WeakPolarHBondContact O-CA 3.22Å; Q271-L274 WeakPolarHBondContact O-CB 3.4Å; Q271-L274 PolarHBondContact O-N 2.92Å; I272-L274 PolarHBondContact O-N 2.97Å; L274-N276 PolarHBondContact O-N 3.47Å; L274-G277 PolarHBondContact O-N 3.33Å; L274-G277 VanDerWaalsContact O-N 3.07Å; L274-A282 HydrophobicContact CD1-CB 4.47Å; L274-A282 HydrophobicContact CD2-CB 3.59Å; L274-A282 HydrophobicContact CG-CB 3.61Å; L274-F286 HydrophobicContact CD1-CE2 4.19Å; L274-L310 HydrophobicContact CD2-CD1 4.11Å; L274-Y341 HydrophobicContact CB-CE1 4.28Å; L274-Y341 PolarHBondContact O-OH 2.87Å; L274-I344 HydrophobicContact CD1-CD1 3.82Å; L274-L346 HydrophobicContact CB-CD1 4.31Å |
| 275 | C | 87.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.4 | -34.5 | 176.5 | -62 | 0 | 0 | 0 | 0 | 112.3 | T234 Q271 I272 G277 C349 | T234-C275 HydrophobicContact CG2-CB 4.29Å; Q271-C275 PolarHBondContact O-N 2.78Å; Q271-C275 PolarHBondContact O-SG 3.05Å; I272-C275 WeakPolarHBondContact O-CB 3.2Å; I272-C275 PolarHBondContact O-N 2.69Å; C275-G277 VanDerWaalsContact C-N 3.26Å; C275-G277 PolarHBondContact O-N 3.49Å; C275-C349 PolarHBondContact SG-SG 3.28Å |
| 276 | N | 86 | Confident | 88.4 | Confident | 10 Ų | 10 | 18.7 Ų | 18.7 | 5% | 0.053 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 7.4 | 176.5 | -72.5 | 1 | 0 | 0 | 0 | 113.7 | N230 T234 I272 H273 L274 N278 | N230-N276 WeakPolarHBondContact OD1-CB 3.47Å; N230-N276 PolarHBondContact OD1-O 3.05Å; T234-N276 WeakPolarHBondContact CB-OD1 3.06Å; T234-N276 PolarHBondContact OG1-OD1 2.89Å; I272-N276 PolarHBondContact O-N 3.06Å; I272-N276 VanDerWaalsContact O-N 3.11Å; H273-N276 PolarHBondContact O-N 2.68Å; L274-N276 PolarHBondContact O-N 3.47Å; N276-N278 WeakPolarHBondContact CB-ND2 3.15Å; N276-N278 PolarHBondContact O-N 3.2Å |
| 277 | G | 84.6 | Confident | 87.9 | Confident | 22 Ų | 22 | 22.7 Ų | 22.7 | 23% | 0.227 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 8.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | M229 H273 L274 C275 S279 | M229-G277 VanDerWaalsContact CE-CA 3.43Å; H273-G277 PolarHBondContact O-N 2.9Å; L274-G277 PolarHBondContact O-N 3.33Å; L274-G277 VanDerWaalsContact O-N 3.07Å; C275-G277 VanDerWaalsContact C-N 3.26Å; C275-G277 PolarHBondContact O-N 3.49Å; G277-S279 VanDerWaalsContact C-N 3.25Å; G277-S279 PolarHBondContact O-N 3.44Å; G277-S279 VanDerWaalsContact O-N 3.1Å |
| 278 | N | 86.3 | Confident | 87.4 | Confident | 63 Ų | 63 | 24.6 Ų | 24.6 | 34% | 0.337 | 11% | 0.113 | S | C | . | . | trans | -87.7 | 51.5 | -178.3 | -72.7 | -55.7 | 0 | 0 | 0 | 112.1 | H273 N276 R280 K281 A282 | H273-N278 HydrophobicContact CB-CB 4.28Å; H273-N278 CarbonylContact O-C 3.28Å; H273-N278 WeakPolarHBondContact O-CA 3.23Å; H273-N278 WeakPolarHBondContact O-CB 3.42Å; H273-N278 PolarHBondContact O-N 2.9Å; N276-N278 WeakPolarHBondContact CB-ND2 3.15Å; N276-N278 PolarHBondContact O-N 3.2Å; N278-R280 PolarHBondContact O-N 2.75Å; N278-R280 VanDerWaalsContact O-N 3.08Å; N278-K281 HydrophobicContact CB-CB 4.41Å; N278-K281 HydrophobicContact CB-CD 4.35Å; N278-K281 HydrophobicContact CB-CG 4.49Å; N278-K281 PolarHBondContact O-N 3.1Å; N278-A282 PolarHBondContact O-N 2.82Å | ||
| 279 | S | 85.8 | Confident | 87 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.6 | -32.2 | -173.7 | -55.2 | 0 | 0 | 0 | 0 | 114.1 | G277 K281 A282 M283 S307 | G277-S279 VanDerWaalsContact C-N 3.25Å; G277-S279 PolarHBondContact O-N 3.44Å; G277-S279 VanDerWaalsContact O-N 3.1Å; S279-K281 VanDerWaalsContact C-N 3.35Å; S279-K281 PolarHBondContact O-N 3.36Å; S279-A282 PolarHBondContact O-N 3.34Å; S279-M283 WeakPolarHBondContact O-CG 3.46Å; S279-M283 PolarHBondContact O-N 3.28Å; S279-S307 WeakPolarHBondContact CB-O 3.23Å |
| 280 | R | 82 | Confident | 86.4 | Confident | 136 Ų | 136 | 27 Ų | 27 | 51% | 0.513 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62 | -40.1 | 175.2 | -172.7 | 179.4 | -94.4 | 163.6 | -4.6 | 112.6 | N278 K284 L564 | N278-R280 PolarHBondContact O-N 2.75Å; N278-R280 VanDerWaalsContact O-N 3.08Å; R280-K284 WeakPolarHBondContact O-CG 3.4Å; R280-K284 PolarHBondContact O-N 3.3Å; R280-L564 HydrophobicContact CG-CD2 3.5Å; R280-L564 VanDerWaalsContact CG-CD2 3.5Å |
| 281 | K | 86.7 | Confident | 85.6 | Confident | 94 Ų | 94 | 31.6 Ų | 31.6 | 41% | 0.409 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.1 | -45 | 176.1 | -67.9 | -175.1 | 177.8 | -179.3 | 0 | 110.2 | H273 N278 S279 M283 K284 V285 | H273-K281 HydrophobicContact CB-CB 4.19Å; N278-K281 HydrophobicContact CB-CB 4.41Å; N278-K281 HydrophobicContact CB-CD 4.35Å; N278-K281 HydrophobicContact CB-CG 4.49Å; N278-K281 PolarHBondContact O-N 3.1Å; S279-K281 VanDerWaalsContact C-N 3.35Å; S279-K281 PolarHBondContact O-N 3.36Å; K281-M283 PolarHBondContact O-N 3.33Å; K281-K284 WeakPolarHBondContact O-CB 2.97Å; K281-K284 PolarHBondContact O-N 3.07Å; K281-K284 VanDerWaalsContact O-N 3.13Å; K281-V285 WeakPolarHBondContact O-CG2 3.38Å; K281-V285 PolarHBondContact O-N 3Å; K281-V285 VanDerWaalsContact O-N 3.11Å |
| 282 | A | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.1 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A270 H273 L274 N278 S279 K284 V285 F286 | A270-A282 HydrophobicContact CB-CB 4.38Å; A270-A282 VanDerWaalsContact O-CB 3.29Å; A270-A282 WeakPolarHBondContact O-CB 3.49Å; H273-A282 HydrophobicContact CB-CB 4.04Å; L274-A282 HydrophobicContact CD1-CB 4.47Å; L274-A282 HydrophobicContact CD2-CB 3.59Å; L274-A282 HydrophobicContact CG-CB 3.61Å; N278-A282 PolarHBondContact O-N 2.82Å; S279-A282 PolarHBondContact O-N 3.34Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 3.35Å; A282-V285 PolarHBondContact O-N 3.38Å; A282-V285 VanDerWaalsContact O-N 3.15Å; A282-F286 HydrophobicContact CB-CD2 4.5Å; A282-F286 HydrophobicContact CB-CE2 4.27Å; A282-F286 WeakPolarHBondContact O-CD2 3.41Å; A282-F286 PolarHBondContact O-N 2.92Å |
| 283 | M | 86.3 | Confident | 83.8 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58 | -39.1 | 176.5 | -75.7 | -173.2 | -78.7 | 0 | 0 | 113 | S279 K281 R287 I304 F308 M311 F560 | S279-M283 WeakPolarHBondContact O-CG 3.46Å; S279-M283 PolarHBondContact O-N 3.28Å; K281-M283 PolarHBondContact O-N 3.33Å; M283-R287 WeakPolarHBondContact O-CB 3.46Å; M283-R287 PolarHBondContact O-N 3.05Å; M283-I304 HydrophobicContact CG-CG2 4.22Å; M283-I304 HydrophobicContact SD-CG2 4.27Å; M283-F308 HydrophobicContact SD-CB 3.91Å; M283-F308 HydrophobicContact SD-CD2 4.45Å; M283-M311 HydrophobicContact CE-SD 4.21Å; M283-F560 HydrophobicContact CE-CE1 3.69Å; M283-F560 HydrophobicContact CE-CZ 4.42Å; M283-F560 HydrophobicContact SD-CE1 4.3Å |
| 284 | K | 84 | Confident | 82.7 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 176.4 | -69.4 | 179.4 | -176.8 | -165.3 | 0 | 111.5 | R280 K281 A282 R287 L288 L564 D567 L570 | R280-K284 WeakPolarHBondContact O-CG 3.4Å; R280-K284 PolarHBondContact O-N 3.3Å; K281-K284 WeakPolarHBondContact O-CB 2.97Å; K281-K284 PolarHBondContact O-N 3.07Å; K281-K284 VanDerWaalsContact O-N 3.13Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 3.35Å; K284-R287 WeakPolarHBondContact O-CB 3.35Å; K284-R287 PolarHBondContact O-N 2.76Å; K284-L288 PolarHBondContact O-N 3.42Å; K284-L288 VanDerWaalsContact O-N 3.08Å; K284-L564 WeakPolarHBondContact CE-O 3.49Å; K284-L564 HydrophobicContact CG-CB 4.3Å; K284-L564 PolarHBondContact NZ-O 2.88Å; K284-D567 IonicContact NZ-OD2 4Å; K284-D567 PolarHBondContact NZ-OD2 2.92Å; K284-L570 HydrophobicContact CB-CD2 3.44Å; K284-L570 VanDerWaalsContact CB-CD2 3.44Å; K284-L570 HydrophobicContact CD-CD2 3.84Å; K284-L570 HydrophobicContact CG-CD2 4.28Å |
| 285 | V | 86.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | K266 L269 A270 K281 A282 R287 L288 L289 L570 I574 | K266-V285 WeakPolarHBondContact O-CG1 3.44Å; L269-V285 HydrophobicContact CD2-CG2 4.46Å; A270-V285 HydrophobicContact CB-CB 3.86Å; A270-V285 HydrophobicContact CB-CG1 3.9Å; K281-V285 WeakPolarHBondContact O-CG2 3.38Å; K281-V285 PolarHBondContact O-N 3Å; K281-V285 VanDerWaalsContact O-N 3.11Å; A282-V285 PolarHBondContact O-N 3.38Å; A282-V285 VanDerWaalsContact O-N 3.15Å; V285-R287 VanDerWaalsContact C-N 3.28Å; V285-R287 PolarHBondContact O-N 2.61Å; V285-L288 PolarHBondContact O-N 2.81Å; V285-L288 VanDerWaalsContact O-N 3.14Å; V285-L289 HydrophobicContact CG1-CD1 4.25Å; V285-L289 PolarHBondContact O-N 3.45Å; V285-L570 HydrophobicContact CG2-CD1 3.98Å; V285-L570 HydrophobicContact CG2-CD2 4.13Å; V285-L570 HydrophobicContact CG2-CG 4.35Å; V285-I574 HydrophobicContact CB-CD1 4.24Å; V285-I574 HydrophobicContact CG1-CD1 4Å; V285-I574 HydrophobicContact CG2-CD1 3.92Å |
| 286 | F | 88.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -34.6 | 176.3 | -70.7 | -52.9 | 0 | 0 | 0 | 112.8 | A270 L274 A282 L289 K290 Y300 M303 I304 | A270-F286 HydrophobicContact CB-CD1 4.11Å; A270-F286 HydrophobicContact CB-CD2 4.11Å; A270-F286 HydrophobicContact CB-CE1 3.69Å; A270-F286 HydrophobicContact CB-CE2 3.69Å; A270-F286 HydrophobicContact CB-CG 4.3Å; A270-F286 HydrophobicContact CB-CZ 3.45Å; A270-F286 VanDerWaalsContact CB-CZ 3.45Å; L274-F286 HydrophobicContact CD1-CE2 4.19Å; A282-F286 HydrophobicContact CB-CD2 4.5Å; A282-F286 HydrophobicContact CB-CE2 4.27Å; A282-F286 WeakPolarHBondContact O-CD2 3.41Å; A282-F286 PolarHBondContact O-N 2.92Å; F286-L289 HydrophobicContact CD1-CD1 4.29Å; F286-L289 PolarHBondContact O-N 2.93Å; F286-K290 WeakPolarHBondContact O-CB 3.34Å; F286-K290 PolarHBondContact O-N 2.91Å; F286-Y300 AromaticContact CD1-CD1 3.76Å; F286-Y300 HydrophobicContact CD1-CD1 3.76Å; F286-Y300 HydrophobicContact CD1-CE1 4.31Å; F286-Y300 HydrophobicContact CE1-CD1 4.4Å; F286-M303 HydrophobicContact CD1-CB 3.98Å; F286-M303 HydrophobicContact CD1-CG 4.46Å; F286-M303 HydrophobicContact CD2-CB 3.9Å; F286-M303 HydrophobicContact CE1-CB 3.99Å; F286-M303 HydrophobicContact CE1-CE 4.15Å; F286-M303 HydrophobicContact CE1-CG 4.15Å; F286-M303 HydrophobicContact CE2-CB 3.92Å; F286-M303 HydrophobicContact CE2-CE 4Å; F286-M303 HydrophobicContact CG-CB 3.94Å; F286-M303 HydrophobicContact CZ-CB 3.97Å; F286-M303 HydrophobicContact CZ-CE 3.49Å; F286-M303 VanDerWaalsContact CZ-CE 3.49Å; F286-M303 HydrophobicContact CZ-CG 4.27Å; F286-I304 HydrophobicContact CB-CD1 4.25Å; F286-I304 HydrophobicContact CB-CG1 3.7Å |
| 287 | R | 80.6 | Confident | 80.3 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 174.1 | -178.8 | -175.9 | 175.3 | 173.9 | 2.6 | 111.6 | M283 K284 V285 K290 V291 I304 L561 | M283-R287 WeakPolarHBondContact O-CB 3.46Å; M283-R287 PolarHBondContact O-N 3.05Å; K284-R287 WeakPolarHBondContact O-CB 3.35Å; K284-R287 PolarHBondContact O-N 2.76Å; V285-R287 VanDerWaalsContact C-N 3.28Å; V285-R287 PolarHBondContact O-N 2.61Å; R287-K290 WeakPolarHBondContact O-CB 3.33Å; R287-K290 PolarHBondContact O-N 3.47Å; R287-V291 WeakPolarHBondContact O-CG2 3.19Å; R287-V291 PolarHBondContact O-N 3.14Å; R287-I304 HydrophobicContact CB-CD1 4.28Å; R287-L561 PolarHBondContact NH1-O 3.47Å |
| 288 | L | 81.5 | Confident | 79.9 | Confident | 49 Ų | 49 | 50 Ų | 50 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 177.3 | -70 | 166.2 | 0 | 0 | 0 | 111 | K284 V285 K290 V291 D292 I574 | K284-L288 PolarHBondContact O-N 3.42Å; K284-L288 VanDerWaalsContact O-N 3.08Å; V285-L288 PolarHBondContact O-N 2.81Å; V285-L288 VanDerWaalsContact O-N 3.14Å; L288-K290 VanDerWaalsContact C-N 3.29Å; L288-K290 PolarHBondContact O-N 3.45Å; L288-V291 PolarHBondContact O-N 3.1Å; L288-D292 PolarHBondContact O-N 3.2Å; L288-I574 HydrophobicContact CB-CG2 4Å; L288-I574 HydrophobicContact CD1-CB 4.03Å; L288-I574 HydrophobicContact CD1-CD1 3.46Å; L288-I574 VanDerWaalsContact CD1-CD1 3.46Å; L288-I574 HydrophobicContact CD1-CG1 4.32Å; L288-I574 HydrophobicContact CD1-CG2 3.87Å; L288-I574 HydrophobicContact CG-CG2 4.48Å |
| 289 | L | 83.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -38 | 173.8 | -75.3 | 175.1 | 0 | 0 | 0 | 113.1 | V263 K266 E267 V285 F286 V291 D292 S293 Y300 | V263-L289 HydrophobicContact CG1-CD2 4.02Å; K266-L289 HydrophobicContact CB-CD1 4.19Å; K266-L289 HydrophobicContact CB-CD2 3.81Å; K266-L289 HydrophobicContact CB-CG 4.27Å; K266-L289 HydrophobicContact CD-CD2 3.79Å; K266-L289 HydrophobicContact CG-CD2 4.49Å; E267-L289 HydrophobicContact CB-CD1 4.47Å; E267-L289 HydrophobicContact CG-CD1 3.69Å; V285-L289 HydrophobicContact CG1-CD1 4.25Å; V285-L289 PolarHBondContact O-N 3.45Å; F286-L289 HydrophobicContact CD1-CD1 4.29Å; F286-L289 PolarHBondContact O-N 2.93Å; L289-V291 VanDerWaalsContact C-N 3.25Å; L289-V291 PolarHBondContact O-N 3.33Å; L289-D292 PolarHBondContact O-N 3.34Å; L289-S293 WeakPolarHBondContact O-CB 3.28Å; L289-S293 PolarHBondContact O-N 2.95Å; L289-Y300 HydrophobicContact CB-CD1 4.24Å; L289-Y300 HydrophobicContact CB-CD2 3.9Å; L289-Y300 HydrophobicContact CB-CE1 4.07Å; L289-Y300 HydrophobicContact CB-CE2 3.65Å; L289-Y300 HydrophobicContact CB-CG 4.17Å; L289-Y300 HydrophobicContact CD1-CE1 3.98Å |
| 290 | K | 80.3 | Confident | 79.6 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 23% | 0.226 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -35.5 | 173.1 | -164.7 | -173.3 | 70.3 | 172.1 | 0 | 112.9 | F286 R287 L288 S297 Y300 | F286-K290 WeakPolarHBondContact O-CB 3.34Å; F286-K290 PolarHBondContact O-N 2.91Å; R287-K290 WeakPolarHBondContact O-CB 3.33Å; R287-K290 PolarHBondContact O-N 3.47Å; L288-K290 VanDerWaalsContact C-N 3.29Å; L288-K290 PolarHBondContact O-N 3.45Å; K290-S297 VanDerWaalsContact CG-OG 3.26Å; K290-S297 WeakPolarHBondContact CG-OG 3.36Å; K290-Y300 HydrophobicContact CB-CD2 4.37Å |
| 291 | V | 74.6 | Confident | 79.6 | Confident | 96 Ų | 96 | 46.4 Ų | 46.4 | 58% | 0.582 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -79.9 | -41.8 | 178.2 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | R287 L288 L289 S293 | R287-V291 WeakPolarHBondContact O-CG2 3.19Å; R287-V291 PolarHBondContact O-N 3.14Å; L288-V291 PolarHBondContact O-N 3.1Å; L289-V291 VanDerWaalsContact C-N 3.25Å; L289-V291 PolarHBondContact O-N 3.33Å; V291-S293 VanDerWaalsContact C-N 3.32Å; V291-S293 PolarHBondContact O-N 3.37Å |
| 292 | D | 71.6 | Confident | 79.4 | Confident | 68 Ų | 68 | 47.4 Ų | 47.4 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.1 | -30.3 | -180 | -77.7 | -3.6 | 0 | 0 | 0 | 113 | K266 L288 L289 | K266-D292 IonicContact NZ-OD2 3.6Å; K266-D292 PolarHBondContact NZ-OD2 3.31Å; L288-D292 PolarHBondContact O-N 3.2Å; L289-D292 PolarHBondContact O-N 3.34Å |
| 293 | S | 74.2 | Confident | 79.3 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | trans | -130.4 | 83.2 | -173.5 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | L289 V291 S295 S296 S297 | L289-S293 WeakPolarHBondContact O-CB 3.28Å; L289-S293 PolarHBondContact O-N 2.95Å; V291-S293 VanDerWaalsContact C-N 3.32Å; V291-S293 PolarHBondContact O-N 3.37Å; S293-S295 VanDerWaalsContact C-N 3.27Å; S293-S295 PolarHBondContact O-N 2.94Å; S293-S296 WeakPolarHBondContact O-CB 3.25Å; S293-S296 PolarHBondContact O-N 3.4Å; S293-S297 PolarHBondContact O-N 3.37Å | ||
| 294 | P | 68.3 | Low | 79.1 | Confident | 105 Ų | 105 | 48.4 Ų | 48.4 | 68% | 0.682 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -58.5 | -35.1 | -176.5 | -24.5 | 33 | 0 | 0 | 0 | 114.1 | S296 S297 | P294-S296 PolarHBondContact O-N 3.05Å; P294-S297 WeakPolarHBondContact O-CB 3.21Å; P294-S297 PolarHBondContact O-N 3.07Å |
| 295 | S | 67.8 | Low | 79.1 | Confident | 111 Ų | 111 | 50.8 Ų | 50.8 | 78% | 0.776 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -59.6 | -25.7 | 175.4 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | S293 | S293-S295 VanDerWaalsContact C-N 3.27Å; S293-S295 PolarHBondContact O-N 2.94Å |
| 296 | S | 71.9 | Confident | 79.1 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -103.5 | 5 | -173.1 | -47.8 | 0 | 0 | 0 | 0 | 112.3 | S293 P294 E298 Q299 Y300 N618 | S293-S296 WeakPolarHBondContact O-CB 3.25Å; S293-S296 PolarHBondContact O-N 3.4Å; P294-S296 PolarHBondContact O-N 3.05Å; S296-E298 VanDerWaalsContact C-N 3.32Å; S296-E298 PolarHBondContact O-N 3.25Å; S296-Q299 PolarHBondContact O-N 3.33Å; S296-Y300 VanDerWaalsContact O-CD2 3.24Å; S296-Y300 WeakPolarHBondContact O-CD2 3.4Å; S296-Y300 PolarHBondContact O-N 3.04Å; S296-Y300 VanDerWaalsContact O-N 3.09Å; S296-N618 VanDerWaalsContact CA-ND2 3.31Å; S296-N618 WeakPolarHBondContact CA-ND2 3.26Å; S296-N618 VanDerWaalsContact CB-CG 3.5Å; S296-N618 WeakPolarHBondContact CB-ND2 3.24Å; S296-N618 WeakPolarHBondContact CB-OD1 3.3Å; S296-N618 PolarHBondContact OG-ND2 3.13Å; S296-N618 PolarHBondContact OG-OD1 2.84Å |
| 297 | S | 73.3 | Confident | 79.1 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | -167.2 | 179 | 0 | 0 | 0 | 0 | 113.3 | K290 S293 P294 R301 | K290-S297 VanDerWaalsContact CG-OG 3.26Å; K290-S297 WeakPolarHBondContact CG-OG 3.36Å; S293-S297 PolarHBondContact O-N 3.37Å; P294-S297 WeakPolarHBondContact O-CB 3.21Å; P294-S297 PolarHBondContact O-N 3.07Å; S297-R301 WeakPolarHBondContact O-CB 3.48Å; S297-R301 PolarHBondContact O-N 3.07Å |
| 298 | E | 76.3 | Confident | 79.3 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 179.4 | -164.5 | 58.4 | -141.2 | 0 | 0 | 112.1 | S296 Y300 R301 K302 R305 | S296-E298 VanDerWaalsContact C-N 3.32Å; S296-E298 PolarHBondContact O-N 3.25Å; E298-Y300 PolarHBondContact O-N 3.15Å; E298-R301 WeakPolarHBondContact O-CB 3.4Å; E298-R301 PolarHBondContact O-N 3.42Å; E298-R301 VanDerWaalsContact O-N 3.16Å; E298-R301 IonicContact OE1-NH1 3.39Å; E298-R301 IonicContact OE2-CZ 3.97Å; E298-R301 IonicContact OE2-NE 3.79Å; E298-R301 IonicContact OE2-NH1 2.82Å; E298-R301 PolarHBondContact OE2-NH1 3.21Å; E298-R301 IonicContact OE2-NH2 3.94Å; E298-R301 PolarHBondContact OE2-NH2 3.09Å; E298-K302 PolarHBondContact O-N 3.31Å; E298-R305 IonicContact OE1-NH1 2.7Å |
| 299 | Q | 79.5 | Confident | 79.6 | Confident | 28 Ų | 28 | 53 Ų | 53 | 13% | 0.131 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 176.5 | -168.8 | -148 | 14.7 | 0 | 0 | 110.5 | S296 R301 K302 M303 D616 N618 | S296-Q299 PolarHBondContact O-N 3.33Å; Q299-R301 VanDerWaalsContact C-N 3.29Å; Q299-R301 PolarHBondContact O-N 3.21Å; Q299-K302 WeakPolarHBondContact O-CB 3.37Å; Q299-K302 PolarHBondContact O-N 3.12Å; Q299-K302 VanDerWaalsContact O-N 3.15Å; Q299-M303 WeakPolarHBondContact O-CG 3.06Å; Q299-M303 PolarHBondContact O-N 3.46Å; Q299-D616 WeakPolarHBondContact CG-OD1 3.43Å; Q299-D616 PolarHBondContact NE2-OD1 2.97Å; Q299-D616 PolarHBondContact NE2-OD2 3.44Å; Q299-N618 PolarHBondContact OE1-ND2 3.32Å |
| 300 | Y | 86.1 | Confident | 80 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.5 | -29 | 176.5 | -62.8 | -47.4 | 0 | 0 | 0 | 112.9 | E267 F286 L289 K290 S296 E298 M303 I304 | E267-Y300 HydrophobicContact CG-CE1 4Å; E267-Y300 WeakPolarHBondContact OE1-CE1 3.42Å; E267-Y300 PolarHBondContact OE1-OH 2.94Å; F286-Y300 AromaticContact CD1-CD1 3.76Å; F286-Y300 HydrophobicContact CD1-CD1 3.76Å; F286-Y300 HydrophobicContact CD1-CE1 4.31Å; F286-Y300 HydrophobicContact CE1-CD1 4.4Å; L289-Y300 HydrophobicContact CB-CD1 4.24Å; L289-Y300 HydrophobicContact CB-CD2 3.9Å; L289-Y300 HydrophobicContact CB-CE1 4.07Å; L289-Y300 HydrophobicContact CB-CE2 3.65Å; L289-Y300 HydrophobicContact CB-CG 4.17Å; L289-Y300 HydrophobicContact CD1-CE1 3.98Å; K290-Y300 HydrophobicContact CB-CD2 4.37Å; S296-Y300 VanDerWaalsContact O-CD2 3.24Å; S296-Y300 WeakPolarHBondContact O-CD2 3.4Å; S296-Y300 PolarHBondContact O-N 3.04Å; S296-Y300 VanDerWaalsContact O-N 3.09Å; E298-Y300 PolarHBondContact O-N 3.15Å; Y300-M303 PolarHBondContact O-N 2.8Å; Y300-I304 WeakPolarHBondContact O-CD1 3.4Å; Y300-I304 VanDerWaalsContact O-CG1 3.22Å; Y300-I304 WeakPolarHBondContact O-CG1 3.25Å; Y300-I304 PolarHBondContact O-N 3.48Å |
| 301 | R | 81 | Confident | 80.4 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 170.1 | -167.5 | -177.1 | -57.9 | 147.2 | 14.1 | 111.3 | S297 E298 Q299 M303 I304 R305 | S297-R301 WeakPolarHBondContact O-CB 3.48Å; S297-R301 PolarHBondContact O-N 3.07Å; E298-R301 WeakPolarHBondContact O-CB 3.4Å; E298-R301 PolarHBondContact O-N 3.42Å; E298-R301 VanDerWaalsContact O-N 3.16Å; E298-R301 IonicContact OE1-NH1 3.39Å; E298-R301 IonicContact OE2-CZ 3.97Å; E298-R301 IonicContact OE2-NE 3.79Å; E298-R301 IonicContact OE2-NH1 2.82Å; E298-R301 PolarHBondContact OE2-NH1 3.21Å; E298-R301 IonicContact OE2-NH2 3.94Å; E298-R301 PolarHBondContact OE2-NH2 3.09Å; Q299-R301 VanDerWaalsContact C-N 3.29Å; Q299-R301 PolarHBondContact O-N 3.21Å; R301-M303 VanDerWaalsContact C-N 3.35Å; R301-I304 PolarHBondContact O-N 3.29Å; R301-R305 WeakPolarHBondContact O-CG 3.42Å; R301-R305 PolarHBondContact O-N 3.42Å |
| 302 | K | 82.6 | Confident | 81 | Confident | 114 Ų | 114 | 50.6 Ų | 50.6 | 50% | 0.496 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 172.1 | -173.7 | -176.9 | 177.5 | -175.3 | 0 | 110.9 | E298 Q299 I304 R305 I306 | E298-K302 PolarHBondContact O-N 3.31Å; Q299-K302 WeakPolarHBondContact O-CB 3.37Å; Q299-K302 PolarHBondContact O-N 3.12Å; Q299-K302 VanDerWaalsContact O-N 3.15Å; K302-I304 PolarHBondContact O-N 3.31Å; K302-R305 WeakPolarHBondContact O-CB 3.18Å; K302-R305 PolarHBondContact O-N 3.28Å; K302-R305 VanDerWaalsContact O-N 3.17Å; K302-I306 HydrophobicContact CG-CD1 4.05Å; K302-I306 WeakPolarHBondContact O-CG1 3.48Å; K302-I306 PolarHBondContact O-N 3.45Å |
| 303 | M | 86.7 | Confident | 81.9 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -38.2 | 177.6 | -68.7 | -55.7 | -68.9 | 0 | 0 | 113.3 | F286 Q299 Y300 R301 I306 S307 I344 | F286-M303 HydrophobicContact CD1-CB 3.98Å; F286-M303 HydrophobicContact CD1-CG 4.46Å; F286-M303 HydrophobicContact CD2-CB 3.9Å; F286-M303 HydrophobicContact CE1-CB 3.99Å; F286-M303 HydrophobicContact CE1-CE 4.15Å; F286-M303 HydrophobicContact CE1-CG 4.15Å; F286-M303 HydrophobicContact CE2-CB 3.92Å; F286-M303 HydrophobicContact CE2-CE 4Å; F286-M303 HydrophobicContact CG-CB 3.94Å; F286-M303 HydrophobicContact CZ-CB 3.97Å; F286-M303 HydrophobicContact CZ-CE 3.49Å; F286-M303 VanDerWaalsContact CZ-CE 3.49Å; F286-M303 HydrophobicContact CZ-CG 4.27Å; Q299-M303 WeakPolarHBondContact O-CG 3.06Å; Q299-M303 PolarHBondContact O-N 3.46Å; Y300-M303 PolarHBondContact O-N 2.8Å; R301-M303 VanDerWaalsContact C-N 3.35Å; M303-I306 PolarHBondContact O-N 3.1Å; M303-I306 HydrophobicContact SD-CD1 4.33Å; M303-S307 WeakPolarHBondContact O-CB 3.47Å; M303-S307 PolarHBondContact O-N 2.92Å; M303-S307 PolarHBondContact O-OG 3.33Å; M303-I344 HydrophobicContact CE-CB 4.15Å; M303-I344 HydrophobicContact CE-CD1 4.32Å; M303-I344 HydrophobicContact CE-CG2 3.89Å; M303-I344 HydrophobicContact SD-CG2 3.84Å |
| 304 | I | 82.7 | Confident | 82.6 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 173.5 | -71 | 163.3 | 0 | 0 | 0 | 110.6 | M283 F286 R287 Y300 R301 K302 I306 S307 F308 L561 | M283-I304 HydrophobicContact CG-CG2 4.22Å; M283-I304 HydrophobicContact SD-CG2 4.27Å; F286-I304 HydrophobicContact CB-CD1 4.25Å; F286-I304 HydrophobicContact CB-CG1 3.7Å; R287-I304 HydrophobicContact CB-CD1 4.28Å; Y300-I304 WeakPolarHBondContact O-CD1 3.4Å; Y300-I304 VanDerWaalsContact O-CG1 3.22Å; Y300-I304 WeakPolarHBondContact O-CG1 3.25Å; Y300-I304 PolarHBondContact O-N 3.48Å; R301-I304 PolarHBondContact O-N 3.29Å; K302-I304 PolarHBondContact O-N 3.31Å; I304-I306 PolarHBondContact O-N 3.38Å; I304-S307 WeakPolarHBondContact O-CB 3.48Å; I304-S307 PolarHBondContact O-N 3.05Å; I304-F308 PolarHBondContact O-N 2.89Å; I304-L561 HydrophobicContact CD1-CD2 4.49Å; I304-L561 HydrophobicContact CG2-CD2 4.09Å |
| 305 | R | 84.3 | Confident | 83.4 | Confident | 74 Ų | 74 | 48 Ų | 48 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.1 | -69.7 | 175.9 | -178.4 | 143.5 | -9.3 | 111.4 | E298 R301 K302 F308 R309 E554 | E298-R305 IonicContact OE1-NH1 2.7Å; R301-R305 WeakPolarHBondContact O-CG 3.42Å; R301-R305 PolarHBondContact O-N 3.42Å; K302-R305 WeakPolarHBondContact O-CB 3.18Å; K302-R305 PolarHBondContact O-N 3.28Å; K302-R305 VanDerWaalsContact O-N 3.17Å; R305-F308 PolarHBondContact O-N 2.83Å; R305-R309 WeakPolarHBondContact O-CG 3.23Å; R305-R309 PolarHBondContact O-N 3.27Å; R305-E554 IonicContact NH2-OE1 3.46Å; R305-E554 PolarHBondContact NH2-OE1 2.96Å |
| 306 | I | 86 | Confident | 84.4 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 176.1 | -68.3 | 168.5 | 0 | 0 | 0 | 110.5 | K302 M303 I304 F308 R309 L310 L340 I344 | K302-I306 HydrophobicContact CG-CD1 4.05Å; K302-I306 WeakPolarHBondContact O-CG1 3.48Å; K302-I306 PolarHBondContact O-N 3.45Å; M303-I306 PolarHBondContact O-N 3.1Å; M303-I306 HydrophobicContact SD-CD1 4.33Å; I304-I306 PolarHBondContact O-N 3.38Å; I306-F308 VanDerWaalsContact C-N 3.28Å; I306-F308 PolarHBondContact O-N 3.46Å; I306-R309 PolarHBondContact O-N 2.82Å; I306-R309 VanDerWaalsContact O-N 3.15Å; I306-L310 HydrophobicContact CG2-CD1 4.06Å; I306-L310 HydrophobicContact CG2-CG 4.37Å; I306-L310 WeakPolarHBondContact O-CG 3.29Å; I306-L310 PolarHBondContact O-N 3.21Å; I306-L340 HydrophobicContact CG2-CD2 4.43Å; I306-I344 HydrophobicContact CD1-CG2 3.77Å; I306-I344 HydrophobicContact CG2-CD1 4.43Å; I306-I344 HydrophobicContact CG2-CG2 4.11Å |
| 307 | S | 88.3 | Confident | 85 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | S279 M303 I304 M311 | S279-S307 WeakPolarHBondContact CB-O 3.23Å; M303-S307 WeakPolarHBondContact O-CB 3.47Å; M303-S307 PolarHBondContact O-N 2.92Å; M303-S307 PolarHBondContact O-OG 3.33Å; I304-S307 WeakPolarHBondContact O-CB 3.48Å; I304-S307 PolarHBondContact O-N 3.05Å; S307-M311 PolarHBondContact O-N 2.86Å; S307-M311 VanDerWaalsContact O-N 3.11Å |
| 308 | F | 84.3 | Confident | 85.2 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 174.7 | -176.6 | -102.4 | 0 | 0 | 0 | 112 | M283 I304 R305 I306 L310 M311 N312 V557 F560 | M283-F308 HydrophobicContact SD-CB 3.91Å; M283-F308 HydrophobicContact SD-CD2 4.45Å; I304-F308 PolarHBondContact O-N 2.89Å; R305-F308 PolarHBondContact O-N 2.83Å; I306-F308 VanDerWaalsContact C-N 3.28Å; I306-F308 PolarHBondContact O-N 3.46Å; F308-L310 PolarHBondContact O-N 3.13Å; F308-M311 HydrophobicContact CD2-CE 3.76Å; F308-M311 HydrophobicContact CE2-CE 3.79Å; F308-M311 WeakPolarHBondContact O-CB 3.46Å; F308-M311 PolarHBondContact O-N 3Å; F308-N312 WeakPolarHBondContact CE1-ND2 3.46Å; F308-N312 PolarHBondContact O-N 3.47Å; F308-V557 HydrophobicContact CD1-CG2 4.03Å; F308-V557 HydrophobicContact CE1-CG2 4.28Å; F308-V557 HydrophobicContact CG-CG2 4.44Å; F308-F560 HydrophobicContact CD2-CD1 4.36Å; F308-F560 HydrophobicContact CE2-CD1 4.43Å; F308-F560 HydrophobicContact CE2-CG 4.41Å |
| 309 | R | 89.1 | Confident | 85.3 | Confident | 128 Ų | 128 | 48.7 Ų | 48.7 | 48% | 0.483 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61 | -44 | 175.6 | -72.5 | -179.4 | -178.6 | 178.4 | -0.4 | 112.1 | R305 I306 M311 N312 L313 L340 D552 | R305-R309 WeakPolarHBondContact O-CG 3.23Å; R305-R309 PolarHBondContact O-N 3.27Å; I306-R309 PolarHBondContact O-N 2.82Å; I306-R309 VanDerWaalsContact O-N 3.15Å; R309-M311 VanDerWaalsContact C-N 3.3Å; R309-M311 PolarHBondContact O-N 3.06Å; R309-N312 PolarHBondContact O-N 3.24Å; R309-L313 WeakPolarHBondContact O-CG 3.44Å; R309-L313 PolarHBondContact O-N 3.44Å; R309-L340 HydrophobicContact CB-CD1 4.1Å; R309-D552 IonicContact NH2-OD1 2.97Å |
| 310 | L | 90.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 174.3 | -76.9 | 171.2 | 0 | 0 | 0 | 111.6 | L274 I306 F308 N312 L314 L337 L340 Y341 I344 | L274-L310 HydrophobicContact CD2-CD1 4.11Å; I306-L310 HydrophobicContact CG2-CD1 4.06Å; I306-L310 HydrophobicContact CG2-CG 4.37Å; I306-L310 WeakPolarHBondContact O-CG 3.29Å; I306-L310 PolarHBondContact O-N 3.21Å; F308-L310 PolarHBondContact O-N 3.13Å; L310-N312 PolarHBondContact O-N 2.84Å; L310-L314 WeakPolarHBondContact O-CB 3.35Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L310-L314 PolarHBondContact O-N 3.29Å; L310-L337 HydrophobicContact CD2-CD2 3.76Å; L310-L340 HydrophobicContact CD2-CB 3.63Å; L310-L340 HydrophobicContact CD2-CD1 3.89Å; L310-L340 HydrophobicContact CD2-CG 4.45Å; L310-L340 HydrophobicContact CG-CB 4.21Å; L310-L340 HydrophobicContact CG-CD1 4.14Å; L310-Y341 HydrophobicContact CD1-CD1 4.5Å; L310-Y341 HydrophobicContact CD1-CE1 4.13Å; L310-Y341 HydrophobicContact CD2-CD2 3.98Å; L310-Y341 HydrophobicContact CD2-CE1 4.49Å; L310-Y341 HydrophobicContact CD2-CE2 3.73Å; L310-Y341 HydrophobicContact CD2-CG 4.43Å; L310-I344 HydrophobicContact CD1-CD1 4.41Å |
| 311 | M | 89.3 | Confident | 84.5 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 177.2 | -172.1 | -176.5 | 69.9 | 0 | 0 | 111.9 | M283 S307 F308 R309 N315 F560 | M283-M311 HydrophobicContact CE-SD 4.21Å; S307-M311 PolarHBondContact O-N 2.86Å; S307-M311 VanDerWaalsContact O-N 3.11Å; F308-M311 HydrophobicContact CD2-CE 3.76Å; F308-M311 HydrophobicContact CE2-CE 3.79Å; F308-M311 WeakPolarHBondContact O-CB 3.46Å; F308-M311 PolarHBondContact O-N 3Å; R309-M311 VanDerWaalsContact C-N 3.3Å; R309-M311 PolarHBondContact O-N 3.06Å; M311-N315 PolarHBondContact O-N 3.37Å; M311-N315 PolarHBondContact O-ND2 3.03Å; M311-N315 VanDerWaalsContact O-ND2 3.14Å; M311-F560 HydrophobicContact CE-CZ 4.27Å |
| 312 | N | 88.2 | Confident | 84.2 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.6 | -45.2 | -179.6 | -67.6 | -11.9 | 0 | 0 | 0 | 111.7 | F308 R309 L310 L314 N315 E316 | F308-N312 WeakPolarHBondContact CE1-ND2 3.46Å; F308-N312 PolarHBondContact O-N 3.47Å; R309-N312 PolarHBondContact O-N 3.24Å; L310-N312 PolarHBondContact O-N 2.84Å; N312-L314 VanDerWaalsContact C-N 3.34Å; N312-L314 PolarHBondContact O-N 2.97Å; N312-N315 WeakPolarHBondContact O-CB 3.33Å; N312-N315 PolarHBondContact O-N 3.27Å; N312-E316 PolarHBondContact O-N 2.95Å |
| 313 | L | 90.5 | Very high | 83.9 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 177.9 | -74.9 | 167.8 | 0 | 0 | 0 | 112.6 | R309 N315 E316 V333 K336 L337 L340 | R309-L313 WeakPolarHBondContact O-CG 3.44Å; R309-L313 PolarHBondContact O-N 3.44Å; L313-N315 PolarHBondContact O-N 2.9Å; L313-E316 WeakPolarHBondContact O-CB 3.31Å; L313-E316 PolarHBondContact O-N 2.89Å; L313-V333 VanDerWaalsContact O-CG1 3.23Å; L313-V333 WeakPolarHBondContact O-CG1 3.32Å; L313-K336 HydrophobicContact CD1-CB 3.92Å; L313-K336 HydrophobicContact CD2-CB 4.23Å; L313-K336 HydrophobicContact CD2-CD 3.86Å; L313-L337 HydrophobicContact CB-CD2 3.56Å; L313-L337 HydrophobicContact CB-CG 3.93Å; L313-L337 HydrophobicContact CD1-CD2 4.28Å; L313-L340 HydrophobicContact CD1-CD1 3.43Å; L313-L340 VanDerWaalsContact CD1-CD1 3.43Å |
| 314 | L | 88.3 | Confident | 83.6 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 173.2 | -79.4 | 167.5 | 0 | 0 | 0 | 111.3 | H222 F225 M229 L310 N312 E316 I317 L337 | H222-L314 PolarHBondContact CE1-O 2.87Å; H222-L314 PolarHBondContact ND1-O 3.05Å; F225-L314 HydrophobicContact CE1-CD2 4.08Å; M229-L314 HydrophobicContact CE-CD1 3.95Å; M229-L314 HydrophobicContact CE-CD2 3.84Å; L310-L314 WeakPolarHBondContact O-CB 3.35Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L310-L314 PolarHBondContact O-N 3.29Å; N312-L314 VanDerWaalsContact C-N 3.34Å; N312-L314 PolarHBondContact O-N 2.97Å; L314-E316 VanDerWaalsContact C-N 3.26Å; L314-E316 PolarHBondContact O-N 3.07Å; L314-I317 HydrophobicContact CD2-CD1 4.16Å; L314-I317 PolarHBondContact O-N 3.17Å; L314-L337 HydrophobicContact CD2-CD1 4.05Å; L314-L337 HydrophobicContact CD2-CD2 4.44Å; L314-L337 HydrophobicContact CG-CD1 4.44Å; L314-L337 HydrophobicContact CG-CD2 4.09Å |
| 315 | N | 85.4 | Confident | 83.7 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -74.5 | -12 | 177.4 | -62.2 | -31.6 | 0 | 0 | 0 | 113.7 | M311 N312 L313 | M311-N315 PolarHBondContact O-N 3.37Å; M311-N315 PolarHBondContact O-ND2 3.03Å; M311-N315 VanDerWaalsContact O-ND2 3.14Å; N312-N315 WeakPolarHBondContact O-CB 3.33Å; N312-N315 PolarHBondContact O-N 3.27Å; L313-N315 PolarHBondContact O-N 2.9Å |
| 316 | E | 87.4 | Confident | 83.7 | Confident | 105 Ų | 105 | 59 Ų | 59 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -11.7 | 175 | -70.1 | 178.6 | -164.8 | 0 | 0 | 112.8 | N312 L313 L314 P318 V333 | N312-E316 PolarHBondContact O-N 2.95Å; L313-E316 WeakPolarHBondContact O-CB 3.31Å; L313-E316 PolarHBondContact O-N 2.89Å; L314-E316 VanDerWaalsContact C-N 3.26Å; L314-E316 PolarHBondContact O-N 3.07Å; E316-P318 WeakPolarHBondContact O-CD 3.4Å; E316-V333 HydrophobicContact CB-CG1 4.41Å; E316-V333 HydrophobicContact CB-CG2 4Å |
| 317 | I | 84.5 | Confident | 83.9 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -64.7 | 123.4 | 176 | -61.2 | 174.9 | 0 | 0 | 0 | 108.8 | H222 F225 L314 N319 V333 L337 | H222-I317 HydrophobicContact CB-CG2 4.32Å; F225-I317 HydrophobicContact CD1-CD1 4.12Å; F225-I317 HydrophobicContact CE1-CD1 4.22Å; L314-I317 HydrophobicContact CD2-CD1 4.16Å; L314-I317 PolarHBondContact O-N 3.17Å; I317-N319 PolarHBondContact O-N 3.13Å; I317-V333 HydrophobicContact CG1-CG1 3.63Å; I317-L337 HydrophobicContact CD1-CD1 4Å; I317-L337 HydrophobicContact CG1-CD1 4.48Å |
| 318 | P | 78.4 | Confident | 84 | Confident | 27 Ų | 27 | 60 Ų | 60 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -53.8 | 136 | 177.4 | -24.6 | 32.8 | 0 | 0 | 0 | 112.2 | E316 E320 P321 D326 V329 S330 | E316-P318 WeakPolarHBondContact O-CD 3.4Å; P318-E320 PolarHBondContact O-N 3.06Å; P318-P321 HydrophobicContact CB-CB 4.47Å; P318-D326 HydrophobicContact CG-CB 4.36Å; P318-V329 HydrophobicContact CG-CG1 4.45Å; P318-S330 VanDerWaalsContact CD-OG 3.24Å; P318-S330 WeakPolarHBondContact CD-OG 3.46Å; P318-S330 WeakPolarHBondContact CG-OG 3.47Å | ||
| 319 | N | 78.5 | Confident | 84.2 | Confident | 117 Ų | 117 | 61.5 Ų | 61.5 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -60.5 | -45.1 | -179.9 | -76.2 | -33.7 | 0 | 0 | 0 | 111.8 | C221 H222 I317 | C221-N319 VanDerWaalsContact CA-O 3.25Å; C221-N319 WeakPolarHBondContact CA-O 3.24Å; C221-N319 WeakPolarHBondContact CB-O 3.4Å; H222-N319 PolarHBondContact N-O 3.05Å; I317-N319 PolarHBondContact O-N 3.13Å |
| 320 | E | 77.5 | Confident | 84.3 | Confident | 157 Ų | 157 | 55.4 Ų | 55.4 | 73% | 0.734 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -134.9 | 97.1 | 172.9 | -72.9 | -177.3 | 174.1 | 0 | 0 | 108.2 | C221 P318 S322 | C221-E320 HydrophobicContact CB-CG 4.47Å; P318-E320 PolarHBondContact O-N 3.06Å; E320-S322 PolarHBondContact O-N 3.5Å |
| 321 | P | 71.6 | Confident | 84.3 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 8% | 0.078 | 29% | 0.288 | C | S | . | . | trans | -67 | 118.4 | 174 | 27.8 | -31.3 | 0 | 0 | 0 | 108.3 | P318 D326 Y327 F360 | P318-P321 HydrophobicContact CB-CB 4.47Å; P321-D326 HydrophobicContact CB-CB 3.94Å; P321-Y327 HydrophobicContact CB-CD1 3.94Å; P321-Y327 HydrophobicContact CB-CE1 3.92Å; P321-Y327 HydrophobicContact CG-CE1 4.47Å; P321-F360 HydrophobicContact CB-CE1 4.34Å; P321-F360 HydrophobicContact CG-CE1 3.86Å; P321-F360 HydrophobicContact CG-CZ 4.21Å | ||
| 322 | S | 73.2 | Confident | 84.5 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 56% | 0.559 | 30% | 0.3 | S | S | * | . | trans | -133.4 | -18.1 | -176.9 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | E320 D326 | E320-S322 PolarHBondContact O-N 3.5Å; S322-D326 PolarHBondContact N-OD2 2.91Å; S322-D326 VanDerWaalsContact N-OD2 3.14Å | ||
| 323 | I | 78.3 | Confident | 84.8 | Confident | 99 Ų | 99 | 56.5 Ų | 56.5 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -114.1 | 150.7 | -178.9 | -54.3 | 171.8 | 0 | 0 | 0 | 108.6 | K325 D326 Y327 | I323-K325 PolarHBondContact O-N 3.5Å; I323-D326 PolarHBondContact N-OD2 3.33Å; I323-D326 VanDerWaalsContact N-OD2 3.11Å; I323-D326 WeakPolarHBondContact O-CA 3.36Å; I323-D326 VanDerWaalsContact O-CB 3.29Å; I323-D326 WeakPolarHBondContact O-CB 3.11Å; I323-D326 PolarHBondContact O-N 2.84Å; I323-Y327 PolarHBondContact O-N 2.86Å |
| 324 | T | 79.2 | Confident | 84.9 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -48.5 | -37.3 | 177.5 | -31.9 | 0 | 0 | 0 | 0 | 113.6 | D326 Y327 I328 A364 Q367 Y368 | T324-D326 VanDerWaalsContact C-N 3.33Å; T324-D326 PolarHBondContact O-N 3.01Å; T324-Y327 PolarHBondContact O-N 3.14Å; T324-I328 PolarHBondContact O-N 3.16Å; T324-A364 HydrophobicContact CG2-CB 4.32Å; T324-Q367 HydrophobicContact CG2-CB 4.29Å; T324-Q367 HydrophobicContact CG2-CG 4.4Å; T324-Q367 PolarHBondContact OG1-NE2 3.19Å; T324-Q367 VanDerWaalsContact OG1-NE2 3.16Å; T324-Q367 PolarHBondContact OG1-OE1 2.94Å; T324-Y368 HydrophobicContact CG2-CD2 3.65Å; T324-Y368 HydrophobicContact CG2-CE2 3.32Å; T324-Y368 HydrophobicContact CG2-CG 4.37Å |
| 325 | K | 84.1 | Confident | 85.2 | Confident | 156 Ų | 156 | 58.4 Ų | 58.4 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 175.6 | -73.1 | -173.8 | 178.1 | -178.9 | 0 | 112.4 | I323 Y327 I328 V329 | I323-K325 PolarHBondContact O-N 3.5Å; K325-Y327 VanDerWaalsContact C-N 3.33Å; K325-I328 PolarHBondContact O-N 3.29Å; K325-V329 VanDerWaalsContact O-CG2 3.29Å; K325-V329 WeakPolarHBondContact O-CG2 3.26Å; K325-V329 PolarHBondContact O-N 2.73Å |
| 326 | D | 86.2 | Confident | 85.7 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67 | -37.8 | 178.1 | -54.1 | -28 | 0 | 0 | 0 | 110.5 | P318 P321 S322 I323 T324 V329 S330 | P318-D326 HydrophobicContact CG-CB 4.36Å; P321-D326 HydrophobicContact CB-CB 3.94Å; S322-D326 PolarHBondContact N-OD2 2.91Å; S322-D326 VanDerWaalsContact N-OD2 3.14Å; I323-D326 PolarHBondContact N-OD2 3.33Å; I323-D326 VanDerWaalsContact N-OD2 3.11Å; I323-D326 WeakPolarHBondContact O-CA 3.36Å; I323-D326 VanDerWaalsContact O-CB 3.29Å; I323-D326 WeakPolarHBondContact O-CB 3.11Å; I323-D326 PolarHBondContact O-N 2.84Å; T324-D326 VanDerWaalsContact C-N 3.33Å; T324-D326 PolarHBondContact O-N 3.01Å; D326-V329 PolarHBondContact O-N 2.7Å; D326-S330 VanDerWaalsContact O-CB 3.31Å; D326-S330 WeakPolarHBondContact O-CB 3.37Å; D326-S330 PolarHBondContact O-N 3.02Å; D326-S330 PolarHBondContact O-OG 2.92Å |
| 327 | Y | 89.2 | Confident | 86 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 175.7 | -61.3 | -36 | 0 | 0 | 0 | 112.6 | E219 P321 I323 T324 K325 S330 S331 F360 L363 | E219-Y327 WeakPolarHBondContact OE1-CE1 3.48Å; E219-Y327 PolarHBondContact OE1-OH 3.07Å; E219-Y327 VanDerWaalsContact OE1-OH 3.08Å; P321-Y327 HydrophobicContact CB-CD1 3.94Å; P321-Y327 HydrophobicContact CB-CE1 3.92Å; P321-Y327 HydrophobicContact CG-CE1 4.47Å; I323-Y327 PolarHBondContact O-N 2.86Å; T324-Y327 PolarHBondContact O-N 3.14Å; K325-Y327 VanDerWaalsContact C-N 3.33Å; Y327-S330 PolarHBondContact O-N 3.04Å; Y327-S331 VanDerWaalsContact O-CB 3.31Å; Y327-S331 WeakPolarHBondContact O-CB 3.45Å; Y327-S331 PolarHBondContact O-N 3.39Å; Y327-F360 AromaticContact CD1-CD1 3.7Å; Y327-F360 HydrophobicContact CD1-CD1 3.7Å; Y327-F360 HydrophobicContact CD1-CE1 4.16Å; Y327-F360 HydrophobicContact CE1-CD1 4.38Å; Y327-L363 HydrophobicContact CD2-CB 4.04Å; Y327-L363 HydrophobicContact CE1-CD1 4.31Å; Y327-L363 HydrophobicContact CE2-CB 4.15Å; Y327-L363 HydrophobicContact CG-CB 4.29Å |
| 328 | I | 89.4 | Confident | 86.3 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 175.7 | -63.1 | 169.8 | 0 | 0 | 0 | 110.3 | T324 K325 S331 R332 A364 Y368 V379 | T324-I328 PolarHBondContact O-N 3.16Å; K325-I328 PolarHBondContact O-N 3.29Å; I328-S331 PolarHBondContact O-N 3.15Å; I328-R332 WeakPolarHBondContact O-CG 3.34Å; I328-R332 PolarHBondContact O-N 3.06Å; I328-A364 HydrophobicContact CG1-CB 4.11Å; I328-Y368 HydrophobicContact CD1-CE2 4.15Å; I328-V379 HydrophobicContact CD1-CG2 4.07Å; I328-V379 HydrophobicContact CG1-CG2 4.4Å |
| 329 | V | 89.5 | Confident | 86.9 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | P318 K325 D326 S331 R332 V333 | P318-V329 HydrophobicContact CG-CG1 4.45Å; K325-V329 VanDerWaalsContact O-CG2 3.29Å; K325-V329 WeakPolarHBondContact O-CG2 3.26Å; K325-V329 PolarHBondContact O-N 2.73Å; D326-V329 PolarHBondContact O-N 2.7Å; V329-S331 VanDerWaalsContact C-N 3.32Å; V329-S331 PolarHBondContact O-N 3.11Å; V329-R332 PolarHBondContact O-N 3.48Å; V329-V333 HydrophobicContact CG1-CG2 4.36Å; V329-V333 WeakPolarHBondContact O-CG2 3.42Å; V329-V333 PolarHBondContact O-N 3.38Å |
| 330 | S | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.9 | -46.5 | 176 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | P318 D326 Y327 R332 V333 H334 | P318-S330 VanDerWaalsContact CD-OG 3.24Å; P318-S330 WeakPolarHBondContact CD-OG 3.46Å; P318-S330 WeakPolarHBondContact CG-OG 3.47Å; D326-S330 VanDerWaalsContact O-CB 3.31Å; D326-S330 WeakPolarHBondContact O-CB 3.37Å; D326-S330 PolarHBondContact O-N 3.02Å; D326-S330 PolarHBondContact O-OG 2.92Å; Y327-S330 PolarHBondContact O-N 3.04Å; S330-R332 PolarHBondContact O-N 3.18Å; S330-V333 PolarHBondContact O-N 2.99Å; S330-H334 WeakPolarHBondContact O-CB 3.4Å; S330-H334 PolarHBondContact O-CD2 2.82Å; S330-H334 PolarHBondContact O-N 3.37Å |
| 331 | S | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | Y327 I328 V329 V333 H334 E335 M357 L382 | Y327-S331 VanDerWaalsContact O-CB 3.31Å; Y327-S331 WeakPolarHBondContact O-CB 3.45Å; Y327-S331 PolarHBondContact O-N 3.39Å; I328-S331 PolarHBondContact O-N 3.15Å; V329-S331 VanDerWaalsContact C-N 3.32Å; V329-S331 PolarHBondContact O-N 3.11Å; S331-V333 PolarHBondContact O-N 3.02Å; S331-H334 PolarHBondContact O-N 2.85Å; S331-E335 WeakPolarHBondContact O-CB 3.49Å; S331-E335 PolarHBondContact O-N 3.45Å; S331-M357 WeakPolarHBondContact OG-CG 3.33Å; S331-M357 PolarHBondContact OG-O 2.98Å; S331-M357 VanDerWaalsContact OG-O 3.12Å; S331-L382 VanDerWaalsContact OG-CD2 3.28Å; S331-L382 WeakPolarHBondContact OG-CD2 3.4Å; S331-L382 WeakPolarHBondContact OG-CG 3.37Å |
| 332 | R | 93.8 | Very high | 88.9 | Confident | 118 Ų | 118 | 44.8 Ų | 44.8 | 45% | 0.445 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.6 | -33.6 | 177.7 | -70.9 | 177.8 | 174.8 | -142.3 | -1.3 | 113.3 | I328 V329 S330 K336 E378 | I328-R332 WeakPolarHBondContact O-CG 3.34Å; I328-R332 PolarHBondContact O-N 3.06Å; V329-R332 PolarHBondContact O-N 3.48Å; S330-R332 PolarHBondContact O-N 3.18Å; R332-K336 WeakPolarHBondContact O-CG 3.42Å; R332-K336 PolarHBondContact O-N 3.11Å; R332-E378 IonicContact CZ-OE1 3.94Å; R332-E378 IonicContact NE-OE1 3.89Å; R332-E378 VanDerWaalsContact NH2-CD 3.33Å; R332-E378 IonicContact NH2-OE1 3.58Å; R332-E378 PolarHBondContact NH2-OE1 3.11Å |
| 333 | V | 93.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.3 | -44 | 174.1 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | L313 E316 I317 V329 S330 S331 K336 L337 | L313-V333 VanDerWaalsContact O-CG1 3.23Å; L313-V333 WeakPolarHBondContact O-CG1 3.32Å; E316-V333 HydrophobicContact CB-CG1 4.41Å; E316-V333 HydrophobicContact CB-CG2 4Å; I317-V333 HydrophobicContact CG1-CG1 3.63Å; V329-V333 HydrophobicContact CG1-CG2 4.36Å; V329-V333 WeakPolarHBondContact O-CG2 3.42Å; V329-V333 PolarHBondContact O-N 3.38Å; S330-V333 PolarHBondContact O-N 2.99Å; S331-V333 PolarHBondContact O-N 3.02Å; V333-K336 PolarHBondContact O-N 2.94Å; V333-L337 HydrophobicContact CG1-CD1 3.86Å; V333-L337 HydrophobicContact CG1-CG 4.44Å; V333-L337 WeakPolarHBondContact O-CB 3.28Å; V333-L337 WeakPolarHBondContact O-CG 3.28Å; V333-L337 PolarHBondContact O-N 3.08Å |
| 334 | H | 93.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -36.5 | 176.7 | -85.4 | -78.6 | 0 | 0 | 0 | 113 | F225 S330 S331 L337 G338 H353 F356 M357 F360 | F225-H334 AromaticContact CE2-CE1 3.61Å; F225-H334 AromaticContact CZ-CE1 3.62Å; S330-H334 WeakPolarHBondContact O-CB 3.4Å; S330-H334 PolarHBondContact O-CD2 2.82Å; S330-H334 PolarHBondContact O-N 3.37Å; S331-H334 PolarHBondContact O-N 2.85Å; H334-L337 PolarHBondContact O-N 3.38Å; H334-G338 PolarHBondContact O-N 3.43Å; H334-H353 AromaticContact CE1-ND1 3.63Å; H334-H353 AromaticContact ND1-CE1 3.97Å; H334-H353 AromaticContact ND1-CG 3.87Å; H334-H353 AromaticContact ND1-ND1 3.03Å; H334-H353 PolarHBondContact ND1-ND1 3.22Å; H334-H353 WeakPolarHBondContact O-CB 3.46Å; H334-F356 HydrophobicContact CB-CB 4.42Å; H334-F356 AromaticContact CE1-CD1 3.92Å; H334-F356 AromaticContact CE1-CG 3.86Å; H334-F356 WeakPolarHBondContact ND1-CB 3.45Å; H334-M357 HydrophobicContact CB-CB 4.09Å; H334-F360 AromaticContact CD2-CD2 3.96Å; H334-F360 AromaticContact CD2-CE2 3.82Å; H334-F360 AromaticContact NE2-CE2 3.78Å |
| 335 | E | 95 | Very high | 89.7 | Confident | 63 Ų | 63 | 42.7 Ų | 42.7 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55 | -57.6 | 170.4 | -179.3 | -174.5 | -171 | 0 | 0 | 111.1 | S331 L337 G338 D339 M357 | S331-E335 WeakPolarHBondContact O-CB 3.49Å; S331-E335 PolarHBondContact O-N 3.45Å; E335-L337 VanDerWaalsContact C-N 3.3Å; E335-L337 PolarHBondContact O-N 3.09Å; E335-G338 WeakPolarHBondContact O-CA 3.27Å; E335-G338 PolarHBondContact O-N 2.93Å; E335-D339 PolarHBondContact O-N 3.31Å; E335-M357 HydrophobicContact CB-CE 3.99Å; E335-M357 HydrophobicContact CB-CG 4.24Å; E335-M357 HydrophobicContact CB-SD 3.75Å; E335-M357 HydrophobicContact CG-CE 3.86Å; E335-M357 HydrophobicContact CG-SD 4.01Å |
| 336 | K | 94.6 | Very high | 89.8 | Confident | 109 Ų | 109 | 35.3 Ų | 35.3 | 47% | 0.474 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.2 | -39.4 | 179.5 | -67.8 | 174.8 | -176.1 | 177.8 | 0 | 113 | L313 R332 V333 L340 | L313-K336 HydrophobicContact CD1-CB 3.92Å; L313-K336 HydrophobicContact CD2-CB 4.23Å; L313-K336 HydrophobicContact CD2-CD 3.86Å; R332-K336 WeakPolarHBondContact O-CG 3.42Å; R332-K336 PolarHBondContact O-N 3.11Å; V333-K336 PolarHBondContact O-N 2.94Å; K336-L340 WeakPolarHBondContact O-CG 3.33Å; K336-L340 PolarHBondContact O-N 2.85Å |
| 337 | L | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 175 | -74.6 | 168.4 | 0 | 0 | 0 | 110.6 | L310 L313 L314 I317 V333 H334 E335 D339 L340 Y341 H353 | L310-L337 HydrophobicContact CD2-CD2 3.76Å; L313-L337 HydrophobicContact CB-CD2 3.56Å; L313-L337 HydrophobicContact CB-CG 3.93Å; L313-L337 HydrophobicContact CD1-CD2 4.28Å; L314-L337 HydrophobicContact CD2-CD1 4.05Å; L314-L337 HydrophobicContact CD2-CD2 4.44Å; L314-L337 HydrophobicContact CG-CD1 4.44Å; L314-L337 HydrophobicContact CG-CD2 4.09Å; I317-L337 HydrophobicContact CD1-CD1 4Å; I317-L337 HydrophobicContact CG1-CD1 4.48Å; V333-L337 HydrophobicContact CG1-CD1 3.86Å; V333-L337 HydrophobicContact CG1-CG 4.44Å; V333-L337 WeakPolarHBondContact O-CB 3.28Å; V333-L337 WeakPolarHBondContact O-CG 3.28Å; V333-L337 PolarHBondContact O-N 3.08Å; H334-L337 PolarHBondContact O-N 3.38Å; E335-L337 VanDerWaalsContact C-N 3.3Å; E335-L337 PolarHBondContact O-N 3.09Å; L337-D339 VanDerWaalsContact C-N 3.33Å; L337-D339 PolarHBondContact O-N 2.88Å; L337-L340 PolarHBondContact O-N 3.39Å; L337-Y341 WeakPolarHBondContact O-CD2 3.44Å; L337-Y341 PolarHBondContact O-N 3.05Å; L337-H353 HydrophobicContact CB-CB 4.34Å; L337-H353 WeakPolarHBondContact CB-ND1 3.44Å |
| 338 | G | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55 | -47.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H334 E335 L340 Y341 S342 Y354 | H334-G338 PolarHBondContact O-N 3.43Å; E335-G338 WeakPolarHBondContact O-CA 3.27Å; E335-G338 PolarHBondContact O-N 2.93Å; G338-L340 PolarHBondContact O-N 3.46Å; G338-Y341 PolarHBondContact O-N 2.88Å; G338-S342 VanDerWaalsContact O-CB 3.29Å; G338-S342 WeakPolarHBondContact O-CB 3.29Å; G338-S342 PolarHBondContact O-N 2.75Å; G338-Y354 VanDerWaalsContact C-CZ 3.48Å; G338-Y354 VanDerWaalsContact C-OH 3.25Å; G338-Y354 PolarHBondContact O-OH 2.82Å |
| 339 | D | 90.7 | Very high | 89.6 | Confident | 77 Ų | 77 | 32.7 Ų | 32.7 | 41% | 0.412 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.2 | -42.6 | -180 | -65.1 | -13.7 | 0 | 0 | 0 | 112.5 | E335 L337 S342 G343 Y354 | E335-D339 PolarHBondContact O-N 3.31Å; L337-D339 VanDerWaalsContact C-N 3.33Å; L337-D339 PolarHBondContact O-N 2.88Å; D339-S342 PolarHBondContact O-N 2.92Å; D339-G343 PolarHBondContact O-N 3.26Å; D339-Y354 WeakPolarHBondContact CA-OH 3.49Å; D339-Y354 PolarHBondContact N-OH 3.5Å; D339-Y354 WeakPolarHBondContact OD1-CE1 3.27Å; D339-Y354 PolarHBondContact OD1-OH 3.42Å |
| 340 | L | 91.1 | Very high | 89.7 | Confident | 36 Ų | 36 | 29.4 Ų | 29.4 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.6 | -73.9 | 175.8 | 0 | 0 | 0 | 112 | I306 R309 L310 L313 K336 L337 G338 I344 | I306-L340 HydrophobicContact CG2-CD2 4.43Å; R309-L340 HydrophobicContact CB-CD1 4.1Å; L310-L340 HydrophobicContact CD2-CB 3.63Å; L310-L340 HydrophobicContact CD2-CD1 3.89Å; L310-L340 HydrophobicContact CD2-CG 4.45Å; L310-L340 HydrophobicContact CG-CB 4.21Å; L310-L340 HydrophobicContact CG-CD1 4.14Å; L313-L340 HydrophobicContact CD1-CD1 3.43Å; L313-L340 VanDerWaalsContact CD1-CD1 3.43Å; K336-L340 WeakPolarHBondContact O-CG 3.33Å; K336-L340 PolarHBondContact O-N 2.85Å; L337-L340 PolarHBondContact O-N 3.39Å; G338-L340 PolarHBondContact O-N 3.46Å; L340-I344 WeakPolarHBondContact O-CG1 3.19Å |
| 341 | Y | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.1 | -81.5 | -65.2 | 0 | 0 | 0 | 111.9 | L274 L310 L337 G338 I344 D345 L346 C349 H353 | L274-Y341 HydrophobicContact CB-CE1 4.28Å; L274-Y341 PolarHBondContact O-OH 2.87Å; L310-Y341 HydrophobicContact CD1-CD1 4.5Å; L310-Y341 HydrophobicContact CD1-CE1 4.13Å; L310-Y341 HydrophobicContact CD2-CD2 3.98Å; L310-Y341 HydrophobicContact CD2-CE1 4.49Å; L310-Y341 HydrophobicContact CD2-CE2 3.73Å; L310-Y341 HydrophobicContact CD2-CG 4.43Å; L337-Y341 WeakPolarHBondContact O-CD2 3.44Å; L337-Y341 PolarHBondContact O-N 3.05Å; G338-Y341 PolarHBondContact O-N 2.88Å; Y341-I344 HydrophobicContact CD1-CD1 4.44Å; Y341-I344 WeakPolarHBondContact O-CG1 3.19Å; Y341-I344 PolarHBondContact O-N 3.29Å; Y341-D345 PolarHBondContact O-N 3.31Å; Y341-L346 HydrophobicContact CD1-CB 3.98Å; Y341-L346 HydrophobicContact CD1-CD1 3.96Å; Y341-L346 HydrophobicContact CE1-CD1 4.26Å; Y341-L346 PolarHBondContact O-N 3.18Å; Y341-C349 HydrophobicContact CD1-CB 3.64Å; Y341-C349 HydrophobicContact CD2-CB 4.07Å; Y341-C349 HydrophobicContact CE1-CB 3.96Å; Y341-C349 HydrophobicContact CE2-CB 4.38Å; Y341-C349 HydrophobicContact CG-CB 3.7Å; Y341-H353 AromaticContact CD2-CD2 3.52Å; Y341-H353 AromaticContact CD2-NE2 3.79Å; Y341-H353 AromaticContact CE2-CD2 3.61Å; Y341-H353 AromaticContact CE2-NE2 3.34Å; Y341-H353 VanDerWaalsContact CE2-NE2 3.34Å; Y341-H353 WeakPolarHBondContact CE2-NE2 3.43Å |
| 342 | S | 86.8 | Confident | 89.6 | Confident | 34 Ų | 34 | 30.1 Ų | 30.1 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.8 | -164.9 | 0 | 0 | 0 | 0 | 111.3 | G338 D339 I344 D345 | G338-S342 VanDerWaalsContact O-CB 3.29Å; G338-S342 WeakPolarHBondContact O-CB 3.29Å; G338-S342 PolarHBondContact O-N 2.75Å; D339-S342 PolarHBondContact O-N 2.92Å; S342-I344 PolarHBondContact O-N 3.06Å; S342-I344 VanDerWaalsContact O-N 3.13Å; S342-D345 PolarHBondContact O-N 3.49Å |
| 343 | G | 81.8 | Confident | 89.4 | Confident | 64 Ų | 64 | 24.5 Ų | 24.5 | 66% | 0.66 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -5.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D339 | D339-G343 PolarHBondContact O-N 3.26Š|
| 344 | I | 83.7 | Confident | 89.5 | Confident | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.046 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 20.2 | 170.3 | 64.6 | 177 | 0 | 0 | 0 | 112.1 | L274 M303 I306 L310 L340 Y341 S342 L346 | L274-I344 HydrophobicContact CD1-CD1 3.82Å; M303-I344 HydrophobicContact CE-CB 4.15Å; M303-I344 HydrophobicContact CE-CD1 4.32Å; M303-I344 HydrophobicContact CE-CG2 3.89Å; M303-I344 HydrophobicContact SD-CG2 3.84Å; I306-I344 HydrophobicContact CD1-CG2 3.77Å; I306-I344 HydrophobicContact CG2-CD1 4.43Å; I306-I344 HydrophobicContact CG2-CG2 4.11Å; L310-I344 HydrophobicContact CD1-CD1 4.41Å; L340-I344 WeakPolarHBondContact O-CG1 3.19Å; Y341-I344 HydrophobicContact CD1-CD1 4.44Å; Y341-I344 WeakPolarHBondContact O-CG1 3.19Å; Y341-I344 PolarHBondContact O-N 3.29Å; S342-I344 PolarHBondContact O-N 3.06Å; S342-I344 VanDerWaalsContact O-N 3.13Å; I344-L346 VanDerWaalsContact C-N 3.27Å; I344-L346 HydrophobicContact CD1-CD1 3.73Å; I344-L346 HydrophobicContact CD1-CG 4.28Å; I344-L346 HydrophobicContact CG1-CB 4.35Å; I344-L346 HydrophobicContact CG1-CD1 4.09Å; I344-L346 HydrophobicContact CG1-CG 4.07Å; I344-L346 PolarHBondContact O-N 2.9Å |
| 345 | D | 82.2 | Confident | 89.5 | Confident | 70 Ų | 70 | 25.7 Ų | 25.7 | 37% | 0.374 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 27.9 | 176 | -53.3 | -44.8 | 0 | 0 | 0 | 115.1 | Y341 S342 H347 H619 | Y341-D345 PolarHBondContact O-N 3.31Å; S342-D345 PolarHBondContact O-N 3.49Å; D345-H347 PolarHBondContact O-N 3.38Å; D345-H347 IonicContact OD1-CE1 3.54Å; D345-H347 IonicContact OD1-NE2 2.62Å; D345-H619 IonicContact OD2-CE1 3.9Å; D345-H619 IonicContact OD2-NE2 3.49Å |
| 346 | L | 86.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | trans | -96.5 | 60 | 173.6 | -67.3 | -178.5 | 0 | 0 | 0 | 111.2 | I209 Q271 L274 Y341 I344 G348 C349 A350 | I209-L346 HydrophobicContact CD1-CD2 3.81Å; Q271-L346 HydrophobicContact CB-CD1 4.31Å; Q271-L346 HydrophobicContact CB-CD2 4.09Å; Q271-L346 HydrophobicContact CG-CD1 4.43Å; Q271-L346 HydrophobicContact CG-CD2 4.3Å; L274-L346 HydrophobicContact CB-CD1 4.31Å; Y341-L346 HydrophobicContact CD1-CB 3.98Å; Y341-L346 HydrophobicContact CD1-CD1 3.96Å; Y341-L346 HydrophobicContact CE1-CD1 4.26Å; Y341-L346 PolarHBondContact O-N 3.18Å; I344-L346 VanDerWaalsContact C-N 3.27Å; I344-L346 HydrophobicContact CD1-CD1 3.73Å; I344-L346 HydrophobicContact CD1-CG 4.28Å; I344-L346 HydrophobicContact CG1-CB 4.35Å; I344-L346 HydrophobicContact CG1-CD1 4.09Å; I344-L346 HydrophobicContact CG1-CG 4.07Å; I344-L346 PolarHBondContact O-N 2.9Å; L346-G348 VanDerWaalsContact C-N 3.27Å; L346-G348 PolarHBondContact O-N 3.26Å; L346-C349 HydrophobicContact CB-CB 4.45Å; L346-C349 WeakPolarHBondContact O-CB 3.44Å; L346-C349 PolarHBondContact O-N 3.13Å; L346-A350 PolarHBondContact O-N 3.18Å | ||
| 347 | H | 86.4 | Confident | 89.3 | Confident | 29 Ų | 29 | 18 Ų | 18 | 13% | 0.134 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.9 | -27.2 | -171.4 | -54.3 | -60.5 | 0 | 0 | 0 | 114.2 | N210 D345 C349 A350 V351 T396 L397 | N210-H347 PolarHBondContact OD1-N 2.89Å; D345-H347 PolarHBondContact O-N 3.38Å; D345-H347 IonicContact OD1-CE1 3.54Å; D345-H347 IonicContact OD1-NE2 2.62Å; H347-C349 VanDerWaalsContact C-N 3.3Å; H347-C349 PolarHBondContact O-N 3.07Å; H347-A350 PolarHBondContact O-N 3.45Å; H347-V351 WeakPolarHBondContact O-CG1 3.44Å; H347-V351 PolarHBondContact O-N 3.04Å; H347-T396 WeakPolarHBondContact NE2-CG2 3.44Å; H347-L397 HydrophobicContact CB-CD2 3.82Å; H347-L397 HydrophobicContact CB-CG 4.07Å |
| 348 | G | 85.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -36.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N210 L346 V351 R352 | N210-G348 PolarHBondContact OD1-N 3.2Å; L346-G348 VanDerWaalsContact C-N 3.27Å; L346-G348 PolarHBondContact O-N 3.26Å; G348-V351 WeakPolarHBondContact O-CG1 3.23Å; G348-R352 PolarHBondContact O-N 3.32Å |
| 349 | C | 88.3 | Confident | 89.3 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -76.2 | -41.1 | 171.8 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | C275 Y341 L346 H347 V351 R352 H353 | C275-C349 PolarHBondContact SG-SG 3.28Å; Y341-C349 HydrophobicContact CD1-CB 3.64Å; Y341-C349 HydrophobicContact CD2-CB 4.07Å; Y341-C349 HydrophobicContact CE1-CB 3.96Å; Y341-C349 HydrophobicContact CE2-CB 4.38Å; Y341-C349 HydrophobicContact CG-CB 3.7Å; L346-C349 HydrophobicContact CB-CB 4.45Å; L346-C349 WeakPolarHBondContact O-CB 3.44Å; L346-C349 PolarHBondContact O-N 3.13Å; H347-C349 VanDerWaalsContact C-N 3.3Å; H347-C349 PolarHBondContact O-N 3.07Å; C349-V351 PolarHBondContact O-N 3.11Å; C349-R352 VanDerWaalsContact O-CB 3.29Å; C349-R352 WeakPolarHBondContact O-CB 3.41Å; C349-R352 PolarHBondContact O-N 2.86Å; C349-R352 VanDerWaalsContact O-N 3.16Å; C349-H353 PolarHBondContact O-CD2 2.95Å; C349-H353 VanDerWaalsContact O-CD2 3.24Å; C349-H353 PolarHBondContact O-N 3.28Å |
| 350 | A | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.1 | -49.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L346 H347 R352 H353 Y354 T393 | L346-A350 PolarHBondContact O-N 3.18Å; H347-A350 PolarHBondContact O-N 3.45Å; A350-R352 VanDerWaalsContact C-N 3.26Å; A350-R352 PolarHBondContact O-N 3.23Å; A350-H353 PolarHBondContact O-N 3.48Å; A350-Y354 HydrophobicContact CB-CD2 4.3Å; A350-Y354 HydrophobicContact CB-CE2 3.93Å; A350-Y354 WeakPolarHBondContact O-CD2 3.28Å; A350-Y354 PolarHBondContact O-N 3.44Å; A350-T393 HydrophobicContact CB-CG2 4.22Å |
| 351 | V | 90 | Very high | 89.4 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.3 | -34 | 178.4 | 74.7 | 0 | 0 | 0 | 0 | 111.7 | P213 H347 G348 C349 R355 Y394 L397 | P213-V351 VanDerWaalsContact CD-CG1 3.48Å; P213-V351 HydrophobicContact CG-CG1 4Å; H347-V351 WeakPolarHBondContact O-CG1 3.44Å; H347-V351 PolarHBondContact O-N 3.04Å; G348-V351 WeakPolarHBondContact O-CG1 3.23Å; C349-V351 PolarHBondContact O-N 3.11Å; V351-R355 HydrophobicContact CG2-CG 4.38Å; V351-R355 WeakPolarHBondContact O-CB 3.49Å; V351-R355 WeakPolarHBondContact O-CG 3.47Å; V351-R355 PolarHBondContact O-N 2.8Å; V351-Y394 HydrophobicContact CG2-CD1 4.06Å; V351-Y394 HydrophobicContact CG2-CE1 3.74Å; V351-L397 HydrophobicContact CB-CD1 4.12Å; V351-L397 HydrophobicContact CG1-CD1 3.76Å |
| 352 | R | 89.9 | Confident | 89.5 | Confident | 15 Ų | 15 | 15.9 Ų | 15.9 | 6% | 0.057 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.3 | -52.6 | 172.3 | -168.8 | -169.6 | -58.1 | 125.5 | 3 | 109.8 | P213 G348 C349 A350 Y354 R355 F356 | P213-R352 HydrophobicContact CG-CB 3.81Å; P213-R352 HydrophobicContact CG-CG 4.28Å; G348-R352 PolarHBondContact O-N 3.32Å; C349-R352 VanDerWaalsContact O-CB 3.29Å; C349-R352 WeakPolarHBondContact O-CB 3.41Å; C349-R352 PolarHBondContact O-N 2.86Å; C349-R352 VanDerWaalsContact O-N 3.16Å; A350-R352 VanDerWaalsContact C-N 3.26Å; A350-R352 PolarHBondContact O-N 3.23Å; R352-Y354 PolarHBondContact O-N 3.03Å; R352-R355 PolarHBondContact O-N 3.36Å; R352-F356 HydrophobicContact CG-CD2 4.37Å; R352-F356 HydrophobicContact CG-CE2 4.31Å; R352-F356 VanDerWaalsContact O-CD2 3.26Å; R352-F356 WeakPolarHBondContact O-CD2 3.22Å; R352-F356 PolarHBondContact O-N 3.48Å; R352-F356 VanDerWaalsContact O-N 3.1Å |
| 353 | H | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | -179.5 | -76.4 | -79.1 | 0 | 0 | 0 | 112.4 | F225 H334 L337 Y341 C349 A350 R355 F356 M357 | F225-H353 AromaticContact CE1-CE1 3.63Å; F225-H353 AromaticContact CZ-CE1 3.37Å; F225-H353 WeakPolarHBondContact CZ-CE1 3.48Å; F225-H353 AromaticContact CZ-ND1 3.88Å; F225-H353 AromaticContact CZ-NE2 3.93Å; H334-H353 AromaticContact CE1-ND1 3.63Å; H334-H353 AromaticContact ND1-CE1 3.97Å; H334-H353 AromaticContact ND1-CG 3.87Å; H334-H353 AromaticContact ND1-ND1 3.03Å; H334-H353 PolarHBondContact ND1-ND1 3.22Å; H334-H353 WeakPolarHBondContact O-CB 3.46Å; L337-H353 HydrophobicContact CB-CB 4.34Å; L337-H353 WeakPolarHBondContact CB-ND1 3.44Å; Y341-H353 AromaticContact CD2-CD2 3.52Å; Y341-H353 AromaticContact CD2-NE2 3.79Å; Y341-H353 AromaticContact CE2-CD2 3.61Å; Y341-H353 AromaticContact CE2-NE2 3.34Å; Y341-H353 VanDerWaalsContact CE2-NE2 3.34Å; Y341-H353 WeakPolarHBondContact CE2-NE2 3.43Å; C349-H353 PolarHBondContact O-CD2 2.95Å; C349-H353 VanDerWaalsContact O-CD2 3.24Å; C349-H353 PolarHBondContact O-N 3.28Å; A350-H353 PolarHBondContact O-N 3.48Å; H353-R355 VanDerWaalsContact C-N 3.35Å; H353-R355 PolarHBondContact O-N 2.99Å; H353-F356 CarbonylContact O-C 3.52Å; H353-F356 WeakPolarHBondContact O-CB 3.35Å; H353-F356 PolarHBondContact O-N 3.1Å; H353-F356 VanDerWaalsContact O-N 3.12Å; H353-M357 PolarHBondContact O-N 2.65Å |
| 354 | Y | 94.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 4% | 0.043 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.3 | -33.1 | 176 | -62.4 | -47.2 | 0 | 0 | 0 | 113.3 | G338 D339 A350 R352 F356 M357 L358 V390 T393 | G338-Y354 VanDerWaalsContact C-CZ 3.48Å; G338-Y354 VanDerWaalsContact C-OH 3.25Å; G338-Y354 PolarHBondContact O-OH 2.82Å; D339-Y354 WeakPolarHBondContact CA-OH 3.49Å; D339-Y354 PolarHBondContact N-OH 3.5Å; D339-Y354 WeakPolarHBondContact OD1-CE1 3.27Å; D339-Y354 PolarHBondContact OD1-OH 3.42Å; A350-Y354 HydrophobicContact CB-CD2 4.3Å; A350-Y354 HydrophobicContact CB-CE2 3.93Å; A350-Y354 WeakPolarHBondContact O-CD2 3.28Å; A350-Y354 PolarHBondContact O-N 3.44Å; R352-Y354 PolarHBondContact O-N 3.03Å; Y354-F356 VanDerWaalsContact C-N 3.31Å; Y354-F356 PolarHBondContact O-N 3.17Å; Y354-M357 HydrophobicContact CD1-SD 4.13Å; Y354-M357 WeakPolarHBondContact O-CB 3.42Å; Y354-M357 PolarHBondContact O-N 2.94Å; Y354-L358 WeakPolarHBondContact O-CB 3.37Å; Y354-L358 PolarHBondContact O-N 3.16Å; Y354-V390 VanDerWaalsContact C-CG2 3.44Å; Y354-V390 WeakPolarHBondContact O-CG2 3.49Å; Y354-T393 HydrophobicContact CD2-CG2 3.51Å; Y354-T393 HydrophobicContact CE2-CG2 3.43Å; Y354-T393 VanDerWaalsContact CE2-CG2 3.43Å |
| 355 | R | 92.5 | Very high | 90.4 | Very high | 20 Ų | 20 | 15.7 Ų | 15.7 | 8% | 0.075 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 171.4 | -74.5 | 176.2 | 72.7 | 163.3 | 8.7 | 112.1 | P213 V351 R352 H353 G359 V390 D449 | P213-R355 PolarHBondContact O-NH1 3.12Å; P213-R355 VanDerWaalsContact O-NH1 3.07Å; V351-R355 HydrophobicContact CG2-CG 4.38Å; V351-R355 WeakPolarHBondContact O-CB 3.49Å; V351-R355 WeakPolarHBondContact O-CG 3.47Å; V351-R355 PolarHBondContact O-N 2.8Å; R352-R355 PolarHBondContact O-N 3.36Å; H353-R355 VanDerWaalsContact C-N 3.35Å; H353-R355 PolarHBondContact O-N 2.99Å; R355-G359 PolarHBondContact O-N 3.47Å; R355-V390 HydrophobicContact CG-CG1 4.19Å; R355-V390 HydrophobicContact CG-CG2 4.15Å; R355-D449 IonicContact CZ-OD2 3.8Å; R355-D449 IonicContact NH1-OD2 2.79Å; R355-D449 IonicContact NH2-OD1 2.67Å; R355-D449 PolarHBondContact NH2-OD1 2.8Å; R355-D449 IonicContact NH2-OD2 3.07Å; R355-D449 PolarHBondContact NH2-OD2 3.45Å |
| 356 | F | 91.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 5% | 0.053 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72 | -39.4 | 173.5 | -87.2 | -105.1 | 0 | 0 | 0 | 112.2 | F217 F225 L228 H334 R352 H353 Y354 L358 G359 F360 | F217-F356 HydrophobicContact CD2-CB 4.48Å; F217-F356 HydrophobicContact CD2-CD1 4.03Å; F217-F356 HydrophobicContact CD2-CD2 4.33Å; F217-F356 HydrophobicContact CD2-CE1 4.31Å; F217-F356 HydrophobicContact CD2-CG 4.04Å; F217-F356 AromaticContact CE2-CD1 3.89Å; F217-F356 HydrophobicContact CE2-CD1 3.89Å; F217-F356 HydrophobicContact CE2-CE1 4.31Å; F217-F356 HydrophobicContact CE2-CG 4.23Å; F225-F356 AromaticContact CD2-CD1 3.99Å; F225-F356 HydrophobicContact CD2-CD1 3.99Å; F225-F356 AromaticContact CD2-CE1 3.56Å; F225-F356 HydrophobicContact CD2-CE1 3.56Å; F225-F356 HydrophobicContact CD2-CE2 4.23Å; F225-F356 HydrophobicContact CD2-CG 4.5Å; F225-F356 AromaticContact CD2-CZ 3.69Å; F225-F356 HydrophobicContact CD2-CZ 3.69Å; F225-F356 HydrophobicContact CE2-CD1 4.02Å; F225-F356 HydrophobicContact CE2-CD2 4.04Å; F225-F356 AromaticContact CE2-CE1 3.92Å; F225-F356 HydrophobicContact CE2-CE1 3.92Å; F225-F356 AromaticContact CE2-CE2 3.91Å; F225-F356 HydrophobicContact CE2-CE2 3.91Å; F225-F356 HydrophobicContact CE2-CG 4.08Å; F225-F356 AromaticContact CE2-CZ 3.86Å; F225-F356 HydrophobicContact CE2-CZ 3.86Å; L228-F356 HydrophobicContact CD1-CZ 4.32Å; H334-F356 HydrophobicContact CB-CB 4.42Å; H334-F356 AromaticContact CE1-CD1 3.92Å; H334-F356 AromaticContact CE1-CG 3.86Å; H334-F356 WeakPolarHBondContact ND1-CB 3.45Å; R352-F356 HydrophobicContact CG-CD2 4.37Å; R352-F356 HydrophobicContact CG-CE2 4.31Å; R352-F356 VanDerWaalsContact O-CD2 3.26Å; R352-F356 WeakPolarHBondContact O-CD2 3.22Å; R352-F356 PolarHBondContact O-N 3.48Å; R352-F356 VanDerWaalsContact O-N 3.1Å; H353-F356 CarbonylContact O-C 3.52Å; H353-F356 WeakPolarHBondContact O-CB 3.35Å; H353-F356 PolarHBondContact O-N 3.1Å; H353-F356 VanDerWaalsContact O-N 3.12Å; Y354-F356 VanDerWaalsContact C-N 3.31Å; Y354-F356 PolarHBondContact O-N 3.17Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 3.36Å; F356-G359 PolarHBondContact O-N 3.15Å; F356-F360 HydrophobicContact CB-CD2 4.48Å; F356-F360 HydrophobicContact CB-CE2 4.48Å; F356-F360 AromaticContact CD1-CE2 3.86Å; F356-F360 HydrophobicContact CD1-CE2 3.86Å; F356-F360 HydrophobicContact CD1-CZ 4.48Å; F356-F360 WeakPolarHBondContact O-CB 3.31Å; F356-F360 WeakPolarHBondContact O-CD2 3.48Å; F356-F360 PolarHBondContact O-N 2.92Å |
| 357 | M | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.4 | -51 | 169.1 | 179.3 | -164.4 | 175.4 | 0 | 0 | 110.1 | S331 H334 E335 H353 Y354 F360 S361 L382 A385 A386 | S331-M357 WeakPolarHBondContact OG-CG 3.33Å; S331-M357 PolarHBondContact OG-O 2.98Å; S331-M357 VanDerWaalsContact OG-O 3.12Å; H334-M357 HydrophobicContact CB-CB 4.09Å; E335-M357 HydrophobicContact CB-CE 3.99Å; E335-M357 HydrophobicContact CB-CG 4.24Å; E335-M357 HydrophobicContact CB-SD 3.75Å; E335-M357 HydrophobicContact CG-CE 3.86Å; E335-M357 HydrophobicContact CG-SD 4.01Å; H353-M357 PolarHBondContact O-N 2.65Å; Y354-M357 HydrophobicContact CD1-SD 4.13Å; Y354-M357 WeakPolarHBondContact O-CB 3.42Å; Y354-M357 PolarHBondContact O-N 2.94Å; M357-F360 PolarHBondContact O-N 2.68Å; M357-S361 WeakPolarHBondContact O-CB 3.45Å; M357-S361 PolarHBondContact O-N 2.94Å; M357-S361 PolarHBondContact O-OG 3.33Å; M357-L382 HydrophobicContact CE-CD1 3.84Å; M357-A385 HydrophobicContact CE-CB 3.97Å; M357-A386 HydrophobicContact CB-CB 4.36Å; M357-A386 HydrophobicContact CE-CB 3.89Å; M357-A386 HydrophobicContact CG-CB 3.77Å; M357-A386 HydrophobicContact SD-CB 3.74Å |
| 358 | L | 93.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 5% | 0.052 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 178 | -178.5 | 58.1 | 0 | 0 | 0 | 112.7 | Y354 F356 F360 S361 E362 V383 A386 L387 V390 | Y354-L358 WeakPolarHBondContact O-CB 3.37Å; Y354-L358 PolarHBondContact O-N 3.16Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 3.36Å; L358-F360 PolarHBondContact O-N 2.96Å; L358-S361 WeakPolarHBondContact CA-OG 3.28Å; L358-S361 PolarHBondContact O-N 2.82Å; L358-S361 PolarHBondContact O-OG 3.17Å; L358-E362 HydrophobicContact CD1-CG 4.16Å; L358-E362 WeakPolarHBondContact O-CB 3.36Å; L358-E362 VanDerWaalsContact O-CG 3.31Å; L358-E362 WeakPolarHBondContact O-CG 3.49Å; L358-E362 PolarHBondContact O-N 2.98Å; L358-V383 HydrophobicContact CD1-CG1 4.18Å; L358-A386 HydrophobicContact CB-CB 3.78Å; L358-A386 HydrophobicContact CD1-CB 3.95Å; L358-A386 HydrophobicContact CG-CB 4.47Å; L358-L387 HydrophobicContact CD1-CD2 3.75Å; L358-L387 HydrophobicContact CD1-CG 3.72Å; L358-L387 HydrophobicContact CD2-CD2 3.8Å; L358-L387 HydrophobicContact CG-CD2 4.44Å; L358-V390 HydrophobicContact CB-CG2 4.5Å; L358-V390 HydrophobicContact CD2-CG2 4.36Å |
| 359 | G | 92.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 24 Ų | 24 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F217 R355 F356 L363 | F217-G359 VanDerWaalsContact CE1-CA 3.49Å; F217-G359 VanDerWaalsContact CZ-C 3.41Å; F217-G359 VanDerWaalsContact CZ-CA 3.5Å; R355-G359 PolarHBondContact O-N 3.47Å; F356-G359 PolarHBondContact O-N 3.15Å; G359-L363 WeakPolarHBondContact O-CG 3.48Å; G359-L363 PolarHBondContact O-N 2.94Å |
| 360 | F | 92.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71 | -38.4 | 177.7 | -74.5 | -57.1 | 0 | 0 | 0 | 112.9 | F217 E219 P321 Y327 H334 F356 M357 L358 E362 L363 A364 | F217-F360 HydrophobicContact CE2-CD2 4.31Å; F217-F360 HydrophobicContact CE2-CE2 4.35Å; F217-F360 HydrophobicContact CE2-CG 4.44Å; F217-F360 HydrophobicContact CZ-CD1 4.23Å; F217-F360 HydrophobicContact CZ-CE1 4.38Å; F217-F360 HydrophobicContact CZ-CG 4.39Å; E219-F360 HydrophobicContact CG-CE1 4.34Å; P321-F360 HydrophobicContact CB-CE1 4.34Å; P321-F360 HydrophobicContact CG-CE1 3.86Å; P321-F360 HydrophobicContact CG-CZ 4.21Å; Y327-F360 AromaticContact CD1-CD1 3.7Å; Y327-F360 HydrophobicContact CD1-CD1 3.7Å; Y327-F360 HydrophobicContact CD1-CE1 4.16Å; Y327-F360 HydrophobicContact CE1-CD1 4.38Å; H334-F360 AromaticContact CD2-CD2 3.96Å; H334-F360 AromaticContact CD2-CE2 3.82Å; H334-F360 AromaticContact NE2-CE2 3.78Å; F356-F360 HydrophobicContact CB-CD2 4.48Å; F356-F360 HydrophobicContact CB-CE2 4.48Å; F356-F360 AromaticContact CD1-CE2 3.86Å; F356-F360 HydrophobicContact CD1-CE2 3.86Å; F356-F360 HydrophobicContact CD1-CZ 4.48Å; F356-F360 WeakPolarHBondContact O-CB 3.31Å; F356-F360 WeakPolarHBondContact O-CD2 3.48Å; F356-F360 PolarHBondContact O-N 2.92Å; M357-F360 PolarHBondContact O-N 2.68Å; L358-F360 PolarHBondContact O-N 2.96Å; F360-E362 VanDerWaalsContact C-N 3.34Å; F360-L363 HydrophobicContact CD1-CD1 4.31Å; F360-L363 PolarHBondContact O-N 2.86Å; F360-A364 PolarHBondContact O-N 2.54Å |
| 361 | S | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 175.9 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | M357 L358 A364 Y365 V383 | M357-S361 WeakPolarHBondContact O-CB 3.45Å; M357-S361 PolarHBondContact O-N 2.94Å; M357-S361 PolarHBondContact O-OG 3.33Å; L358-S361 WeakPolarHBondContact CA-OG 3.28Å; L358-S361 PolarHBondContact O-N 2.82Å; L358-S361 PolarHBondContact O-OG 3.17Å; S361-A364 PolarHBondContact O-N 3.14Å; S361-Y365 WeakPolarHBondContact O-CB 3.4Å; S361-Y365 PolarHBondContact O-N 2.82Å; S361-V383 WeakPolarHBondContact OG-CG2 3.31Å |
| 362 | E | 92.3 | Very high | 89.4 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 23% | 0.229 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67 | -36.9 | 173.2 | -74.6 | -169.6 | 132.1 | 0 | 0 | 113.3 | L358 F360 Y365 K366 V383 R409 | L358-E362 HydrophobicContact CD1-CG 4.16Å; L358-E362 WeakPolarHBondContact O-CB 3.36Å; L358-E362 VanDerWaalsContact O-CG 3.31Å; L358-E362 WeakPolarHBondContact O-CG 3.49Å; L358-E362 PolarHBondContact O-N 2.98Å; F360-E362 VanDerWaalsContact C-N 3.34Å; E362-Y365 PolarHBondContact O-N 3.46Å; E362-K366 WeakPolarHBondContact O-CB 3.47Å; E362-K366 VanDerWaalsContact O-CG 3.31Å; E362-K366 WeakPolarHBondContact O-CG 3.49Å; E362-K366 PolarHBondContact O-N 2.96Å; E362-V383 HydrophobicContact CG-CG1 4.25Å; E362-V383 HydrophobicContact CG-CG2 4.43Å; E362-R409 IonicContact OE1-CZ 3.05Å; E362-R409 IonicContact OE1-NE 2.63Å; E362-R409 IonicContact OE1-NH2 2.61Å; E362-R409 PolarHBondContact OE1-NH2 3.22Å; E362-R409 IonicContact OE2-NH2 3.26Å; E362-R409 PolarHBondContact OE2-NH2 3.11Å |
| 363 | L | 91 | Very high | 88.9 | Confident | 43 Ų | 43 | 40.5 Ų | 40.5 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 173 | -75.1 | 173.1 | 0 | 0 | 0 | 111.1 | F217 E219 Y327 G359 F360 Y365 K366 Q367 | F217-L363 HydrophobicContact CE1-CD1 3.98Å; F217-L363 HydrophobicContact CZ-CD1 3.97Å; E219-L363 HydrophobicContact CB-CD1 4.36Å; E219-L363 HydrophobicContact CG-CD1 4.23Å; Y327-L363 HydrophobicContact CD2-CB 4.04Å; Y327-L363 HydrophobicContact CE1-CD1 4.31Å; Y327-L363 HydrophobicContact CE2-CB 4.15Å; Y327-L363 HydrophobicContact CG-CB 4.29Å; G359-L363 WeakPolarHBondContact O-CG 3.48Å; G359-L363 PolarHBondContact O-N 2.94Å; F360-L363 HydrophobicContact CD1-CD1 4.31Å; F360-L363 PolarHBondContact O-N 2.86Å; L363-Y365 VanDerWaalsContact C-N 3.34Å; L363-Y365 PolarHBondContact O-N 3.21Å; L363-K366 PolarHBondContact O-N 3.33Å; L363-Q367 WeakPolarHBondContact O-CB 3.38Å; L363-Q367 PolarHBondContact O-N 3.26Å |
| 364 | A | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T324 I328 F360 S361 Q367 Y368 V379 | T324-A364 HydrophobicContact CG2-CB 4.32Å; I328-A364 HydrophobicContact CG1-CB 4.11Å; F360-A364 PolarHBondContact O-N 2.54Å; S361-A364 PolarHBondContact O-N 3.14Å; A364-Q367 PolarHBondContact O-N 3.06Å; A364-Y368 VanDerWaalsContact O-CD2 3.24Å; A364-Y368 WeakPolarHBondContact O-CD2 3.49Å; A364-Y368 PolarHBondContact O-N 3.14Å; A364-V379 HydrophobicContact CB-CG1 4.1Å |
| 365 | Y | 90.2 | Very high | 87.8 | Confident | 61 Ų | 61 | 46 Ų | 46 | 24% | 0.239 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -51.4 | 177.3 | 179.7 | -93.9 | 0 | 0 | 0 | 112.1 | S361 E362 L363 Q367 Y368 C369 A375 V379 I380 W413 | S361-Y365 WeakPolarHBondContact O-CB 3.4Å; S361-Y365 PolarHBondContact O-N 2.82Å; E362-Y365 PolarHBondContact O-N 3.46Å; L363-Y365 VanDerWaalsContact C-N 3.34Å; L363-Y365 PolarHBondContact O-N 3.21Å; Y365-Q367 VanDerWaalsContact C-N 3.25Å; Y365-Q367 PolarHBondContact O-N 3.33Å; Y365-Y368 PolarHBondContact O-N 3.26Å; Y365-C369 WeakPolarHBondContact CE1-SG 3.43Å; Y365-C369 VanDerWaalsContact CZ-SG 3.55Å; Y365-C369 PolarHBondContact O-N 2.88Å; Y365-C369 PolarHBondContact O-SG 2.84Å; Y365-C369 VanDerWaalsContact O-SG 3.38Å; Y365-A375 HydrophobicContact CD2-CB 3.47Å; Y365-A375 VanDerWaalsContact CD2-CB 3.47Å; Y365-A375 HydrophobicContact CE2-CB 3.53Å; Y365-A375 HydrophobicContact CG-CB 4.44Å; Y365-V379 HydrophobicContact CD2-CG1 4.48Å; Y365-I380 HydrophobicContact CD2-CG1 4.33Å; Y365-I380 HydrophobicContact CE2-CG1 4.08Å; Y365-W413 AromaticContact CD1-CH2 3.73Å; Y365-W413 HydrophobicContact CD1-CH2 3.73Å; Y365-W413 HydrophobicContact CD1-CZ3 4.38Å; Y365-W413 AromaticContact CD2-CH2 3.69Å; Y365-W413 HydrophobicContact CD2-CH2 3.69Å; Y365-W413 HydrophobicContact CD2-CZ2 4.03Å; Y365-W413 AromaticContact CE1-CH2 3.73Å; Y365-W413 HydrophobicContact CE1-CH2 3.73Å; Y365-W413 HydrophobicContact CE1-CZ3 4.16Å; Y365-W413 AromaticContact CE2-CH2 3.68Å; Y365-W413 HydrophobicContact CE2-CH2 3.68Å; Y365-W413 HydrophobicContact CE2-CZ2 4.08Å; Y365-W413 AromaticContact CG-CH2 3.72Å; Y365-W413 HydrophobicContact CG-CH2 3.72Å; Y365-W413 HydrophobicContact CG-CZ2 4.39Å; Y365-W413 AromaticContact CZ-CH2 3.7Å |
| 366 | K | 88.6 | Confident | 87.5 | Confident | 127 Ų | 127 | 47.2 Ų | 47.2 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.5 | -38.4 | 179.4 | -76.4 | 173.1 | -177 | 169.2 | 0 | 112.2 | E362 L363 S370 | E362-K366 WeakPolarHBondContact O-CB 3.47Å; E362-K366 VanDerWaalsContact O-CG 3.31Å; E362-K366 WeakPolarHBondContact O-CG 3.49Å; E362-K366 PolarHBondContact O-N 2.96Å; L363-K366 PolarHBondContact O-N 3.33Å; K366-S370 PolarHBondContact O-N 3.35Å; K366-S370 VanDerWaalsContact O-N 3.11Å; K366-S370 PolarHBondContact O-OG 3.44Å |
| 367 | Q | 87.2 | Confident | 87.3 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.4 | -44.9 | 178.7 | -172.4 | 165.1 | 0.1 | 0 | 0 | 111.8 | T324 L363 A364 Y365 C369 S370 E371 | T324-Q367 HydrophobicContact CG2-CB 4.29Å; T324-Q367 HydrophobicContact CG2-CG 4.4Å; T324-Q367 PolarHBondContact OG1-NE2 3.19Å; T324-Q367 VanDerWaalsContact OG1-NE2 3.16Å; T324-Q367 PolarHBondContact OG1-OE1 2.94Å; L363-Q367 WeakPolarHBondContact O-CB 3.38Å; L363-Q367 PolarHBondContact O-N 3.26Å; A364-Q367 PolarHBondContact O-N 3.06Å; Y365-Q367 VanDerWaalsContact C-N 3.25Å; Y365-Q367 PolarHBondContact O-N 3.33Å; Q367-C369 PolarHBondContact O-N 3.14Å; Q367-S370 WeakPolarHBondContact O-CB 3.44Å; Q367-S370 PolarHBondContact O-N 3.25Å; Q367-S370 VanDerWaalsContact O-N 3.08Å; Q367-E371 HydrophobicContact CG-CG 4.39Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.29Å; Q367-E371 PolarHBondContact NE2-OE1 2.8Å; Q367-E371 WeakPolarHBondContact O-CG 3.34Å; Q367-E371 PolarHBondContact O-N 3.47Å |
| 368 | Y | 87.1 | Confident | 87.1 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 173.2 | -83.6 | -67.8 | 0 | 0 | 0 | 112.5 | T324 I328 A364 Y365 S370 E371 S372 G373 P376 V379 | T324-Y368 HydrophobicContact CG2-CD2 3.65Å; T324-Y368 HydrophobicContact CG2-CE2 3.32Å; T324-Y368 HydrophobicContact CG2-CG 4.37Å; I328-Y368 HydrophobicContact CD1-CE2 4.15Å; A364-Y368 VanDerWaalsContact O-CD2 3.24Å; A364-Y368 WeakPolarHBondContact O-CD2 3.49Å; A364-Y368 PolarHBondContact O-N 3.14Å; Y365-Y368 PolarHBondContact O-N 3.26Å; Y368-S370 PolarHBondContact O-N 2.89Å; Y368-E371 PolarHBondContact O-N 2.86Å; Y368-E371 VanDerWaalsContact O-N 3.17Å; Y368-S372 PolarHBondContact O-N 3.32Å; Y368-S372 PolarHBondContact O-OG 3.25Å; Y368-G373 PolarHBondContact O-N 2.88Å; Y368-P376 HydrophobicContact CD1-CG 4.24Å; Y368-P376 HydrophobicContact CD2-CG 4.23Å; Y368-P376 HydrophobicContact CE1-CG 4Å; Y368-P376 HydrophobicContact CE2-CG 3.98Å; Y368-P376 HydrophobicContact CG-CG 4.36Å; Y368-V379 HydrophobicContact CD2-CG2 4.01Å; Y368-V379 HydrophobicContact CE2-CG2 3.77Å |
| 369 | C | 83 | Confident | 86.8 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.8 | -31.6 | 176 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | Y365 Q367 G373 | Y365-C369 WeakPolarHBondContact CE1-SG 3.43Å; Y365-C369 VanDerWaalsContact CZ-SG 3.55Å; Y365-C369 PolarHBondContact O-N 2.88Å; Y365-C369 PolarHBondContact O-SG 2.84Å; Y365-C369 VanDerWaalsContact O-SG 3.38Å; Q367-C369 PolarHBondContact O-N 3.14Å; C369-G373 WeakPolarHBondContact O-CA 3.44Å |
| 370 | S | 84.4 | Confident | 86.7 | Confident | 107 Ų | 107 | 57 Ų | 57 | 75% | 0.748 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -79.6 | -33.5 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | K366 Q367 Y368 | K366-S370 PolarHBondContact O-N 3.35Å; K366-S370 VanDerWaalsContact O-N 3.11Å; K366-S370 PolarHBondContact O-OG 3.44Å; Q367-S370 WeakPolarHBondContact O-CB 3.44Å; Q367-S370 PolarHBondContact O-N 3.25Å; Q367-S370 VanDerWaalsContact O-N 3.08Å; Y368-S370 PolarHBondContact O-N 2.89Å |
| 371 | E | 83.4 | Confident | 86.6 | Confident | 129 Ų | 129 | 62.2 Ų | 62.2 | 60% | 0.603 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -90.8 | -48.5 | -175.2 | -70.9 | 177.2 | -173.4 | 0 | 0 | 113.8 | Q367 Y368 | Q367-E371 HydrophobicContact CG-CG 4.39Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.29Å; Q367-E371 PolarHBondContact NE2-OE1 2.8Å; Q367-E371 WeakPolarHBondContact O-CG 3.34Å; Q367-E371 PolarHBondContact O-N 3.47Å; Y368-E371 PolarHBondContact O-N 2.86Å; Y368-E371 VanDerWaalsContact O-N 3.17Å |
| 372 | S | 76.4 | Confident | 86.5 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -16.8 | -173.5 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | Y368 V374 | Y368-S372 PolarHBondContact O-N 3.32Å; Y368-S372 PolarHBondContact O-OG 3.25Å; S372-V374 PolarHBondContact O-N 2.89Å; S372-V374 PolarHBondContact OG-O 2.8Å |
| 373 | G | 77.7 | Confident | 86.5 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 78.5 | -15.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y368 C369 | Y368-G373 PolarHBondContact O-N 2.88Å; C369-G373 WeakPolarHBondContact O-CA 3.44Å |
| 374 | V | 80.4 | Confident | 86.4 | Confident | 116 Ų | 116 | 59.5 Ų | 59.5 | 70% | 0.703 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -134.1 | 125.1 | 175.7 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | S372 | S372-V374 PolarHBondContact O-N 2.89Å; S372-V374 PolarHBondContact OG-O 2.8Å |
| 375 | A | 83.5 | Confident | 86.5 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | trans | -82 | 144.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y365 I380 | Y365-A375 HydrophobicContact CD2-CB 3.47Å; Y365-A375 VanDerWaalsContact CD2-CB 3.47Å; Y365-A375 HydrophobicContact CE2-CB 3.53Å; Y365-A375 HydrophobicContact CG-CB 4.44Å; A375-I380 HydrophobicContact CB-CG1 4.46Å | ||
| 376 | P | 86.8 | Confident | 86.5 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | trans | -63.7 | 146.5 | 175 | -13.7 | 25.5 | 0 | 0 | 0 | 112 | Y368 E378 V379 I380 | Y368-P376 HydrophobicContact CD1-CG 4.24Å; Y368-P376 HydrophobicContact CD2-CG 4.23Å; Y368-P376 HydrophobicContact CE1-CG 4Å; Y368-P376 HydrophobicContact CE2-CG 3.98Å; Y368-P376 HydrophobicContact CG-CG 4.36Å; P376-E378 PolarHBondContact O-N 3.05Å; P376-V379 HydrophobicContact CB-CG2 4.39Å; P376-V379 HydrophobicContact CG-CG2 4.1Å; P376-V379 PolarHBondContact O-N 2.7Å; P376-I380 PolarHBondContact O-N 3.04Å | ||
| 377 | N | 86.8 | Confident | 86.7 | Confident | 119 Ų | 119 | 52.2 Ų | 52.2 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -53.1 | -38.7 | 175 | -72.6 | 1.5 | 0 | 0 | 0 | 112.3 | V379 I380 E381 | N377-V379 VanDerWaalsContact C-N 3.26Å; N377-V379 PolarHBondContact O-N 2.79Å; N377-I380 WeakPolarHBondContact O-CB 3.36Å; N377-I380 PolarHBondContact O-N 2.79Å; N377-E381 WeakPolarHBondContact O-CG 3.48Å; N377-E381 PolarHBondContact O-N 2.98Å |
| 378 | E | 88.2 | Confident | 86.9 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.3 | -40.4 | 176.4 | -171.9 | -165.8 | 150.1 | 0 | 0 | 112.8 | R332 P376 L382 | R332-E378 IonicContact CZ-OE1 3.94Å; R332-E378 IonicContact NE-OE1 3.89Å; R332-E378 VanDerWaalsContact NH2-CD 3.33Å; R332-E378 IonicContact NH2-OE1 3.58Å; R332-E378 PolarHBondContact NH2-OE1 3.11Å; P376-E378 PolarHBondContact O-N 3.05Å; E378-L382 VanDerWaalsContact O-CB 3.32Å; E378-L382 WeakPolarHBondContact O-CB 3.3Å; E378-L382 PolarHBondContact O-N 2.82Å; E378-L382 VanDerWaalsContact O-N 3.11Å |
| 379 | V | 89.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -75.4 | -35.6 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | I328 A364 Y365 Y368 P376 N377 L382 V383 | I328-V379 HydrophobicContact CD1-CG2 4.07Å; I328-V379 HydrophobicContact CG1-CG2 4.4Å; A364-V379 HydrophobicContact CB-CG1 4.1Å; Y365-V379 HydrophobicContact CD2-CG1 4.48Å; Y368-V379 HydrophobicContact CD2-CG2 4.01Å; Y368-V379 HydrophobicContact CE2-CG2 3.77Å; P376-V379 HydrophobicContact CB-CG2 4.39Å; P376-V379 HydrophobicContact CG-CG2 4.1Å; P376-V379 PolarHBondContact O-N 2.7Å; N377-V379 VanDerWaalsContact C-N 3.26Å; N377-V379 PolarHBondContact O-N 2.79Å; V379-L382 PolarHBondContact O-N 3.11Å; V379-V383 WeakPolarHBondContact O-CG2 3.14Å; V379-V383 PolarHBondContact O-N 3.12Å; V379-V383 VanDerWaalsContact O-N 3.11Å |
| 380 | I | 89.6 | Confident | 87.5 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 177.2 | -67 | 171.6 | 0 | 0 | 0 | 110.6 | Y365 A375 P376 N377 L382 V383 D384 W413 T417 L419 | Y365-I380 HydrophobicContact CD2-CG1 4.33Å; Y365-I380 HydrophobicContact CE2-CG1 4.08Å; A375-I380 HydrophobicContact CB-CG1 4.46Å; P376-I380 PolarHBondContact O-N 3.04Å; N377-I380 WeakPolarHBondContact O-CB 3.36Å; N377-I380 PolarHBondContact O-N 2.79Å; I380-L382 VanDerWaalsContact C-N 3.32Å; I380-L382 PolarHBondContact O-N 2.82Å; I380-V383 PolarHBondContact O-N 2.96Å; I380-D384 PolarHBondContact O-N 2.89Å; I380-D384 VanDerWaalsContact O-N 3.13Å; I380-W413 PolarHBondContact O-NE1 2.86Å; I380-T417 HydrophobicContact CG2-CG2 3.81Å; I380-L419 HydrophobicContact CG2-CD1 3.95Å; I380-L419 HydrophobicContact CG2-CD2 4.38Å; I380-L419 HydrophobicContact CG2-CG 4.21Å |
| 381 | E | 89.7 | Confident | 87.7 | Confident | 111 Ų | 111 | 44.2 Ų | 44.2 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -35.9 | 176.4 | -70.8 | 174.1 | -174.3 | 0 | 0 | 111.8 | N377 D384 A385 L419 | N377-E381 WeakPolarHBondContact O-CG 3.48Å; N377-E381 PolarHBondContact O-N 2.98Å; E381-D384 WeakPolarHBondContact O-CB 3.34Å; E381-D384 PolarHBondContact O-N 2.9Å; E381-A385 WeakPolarHBondContact O-CB 3.31Å; E381-A385 PolarHBondContact O-N 2.93Å; E381-L419 HydrophobicContact CG-CD2 4.23Å |
| 382 | L | 90.3 | Very high | 88 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.8 | -36.9 | 177.9 | -168 | 65.9 | 0 | 0 | 0 | 112.8 | S331 M357 E378 V379 I380 A386 | S331-L382 VanDerWaalsContact OG-CD2 3.28Å; S331-L382 WeakPolarHBondContact OG-CD2 3.4Å; S331-L382 WeakPolarHBondContact OG-CG 3.37Å; M357-L382 HydrophobicContact CE-CD1 3.84Å; E378-L382 VanDerWaalsContact O-CB 3.32Å; E378-L382 WeakPolarHBondContact O-CB 3.3Å; E378-L382 PolarHBondContact O-N 2.82Å; E378-L382 VanDerWaalsContact O-N 3.11Å; V379-L382 PolarHBondContact O-N 3.11Å; I380-L382 VanDerWaalsContact C-N 3.32Å; I380-L382 PolarHBondContact O-N 2.82Å; L382-A386 VanDerWaalsContact O-CB 3.29Å; L382-A386 WeakPolarHBondContact O-CB 3.45Å; L382-A386 PolarHBondContact O-N 3.35Å; L382-A386 VanDerWaalsContact O-N 3.12Å |
| 383 | V | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 172.6 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | L358 S361 E362 V379 I380 A386 L387 W413 | L358-V383 HydrophobicContact CD1-CG1 4.18Å; S361-V383 WeakPolarHBondContact OG-CG2 3.31Å; E362-V383 HydrophobicContact CG-CG1 4.25Å; E362-V383 HydrophobicContact CG-CG2 4.43Å; V379-V383 WeakPolarHBondContact O-CG2 3.14Å; V379-V383 PolarHBondContact O-N 3.12Å; V379-V383 VanDerWaalsContact O-N 3.11Å; I380-V383 PolarHBondContact O-N 2.96Å; V383-A386 PolarHBondContact O-N 2.82Å; V383-L387 HydrophobicContact CG1-CD1 4.09Å; V383-L387 HydrophobicContact CG1-CG 4.49Å; V383-L387 WeakPolarHBondContact O-CG 3.06Å; V383-L387 PolarHBondContact O-N 3.17Å; V383-W413 HydrophobicContact CB-CH2 4.35Å; V383-W413 HydrophobicContact CB-CZ2 3.57Å; V383-W413 HydrophobicContact CG1-CD2 3.88Å; V383-W413 VanDerWaalsContact CG1-CE2 3.44Å; V383-W413 HydrophobicContact CG1-CE3 4.34Å; V383-W413 HydrophobicContact CG1-CG 4.42Å; V383-W413 HydrophobicContact CG1-CH2 4.02Å; V383-W413 HydrophobicContact CG1-CZ2 3.54Å; V383-W413 HydrophobicContact CG1-CZ3 4.4Å; V383-W413 HydrophobicContact CG2-CH2 4.28Å; V383-W413 HydrophobicContact CG2-CZ2 3.83Å |
| 384 | D | 90.4 | Very high | 89 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.8 | -52.7 | 179.2 | -168.3 | 65.5 | 0 | 0 | 0 | 111.8 | I380 E381 A386 L387 I388 L419 | I380-D384 PolarHBondContact O-N 2.89Å; I380-D384 VanDerWaalsContact O-N 3.13Å; E381-D384 WeakPolarHBondContact O-CB 3.34Å; E381-D384 PolarHBondContact O-N 2.9Å; D384-A386 VanDerWaalsContact C-N 3.27Å; D384-A386 PolarHBondContact O-N 2.8Å; D384-L387 WeakPolarHBondContact O-CB 3.5Å; D384-L387 PolarHBondContact O-N 2.65Å; D384-L387 VanDerWaalsContact O-N 3.09Å; D384-I388 WeakPolarHBondContact O-CG1 3.29Å; D384-I388 PolarHBondContact O-N 2.73Å; D384-L419 HydrophobicContact CB-CD1 3.91Å |
| 385 | A | 90.9 | Very high | 89.3 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 28% | 0.281 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M357 E381 I388 S389 | M357-A385 HydrophobicContact CE-CB 3.97Å; E381-A385 WeakPolarHBondContact O-CB 3.31Å; E381-A385 PolarHBondContact O-N 2.93Å; A385-I388 PolarHBondContact O-N 2.79Å; A385-S389 WeakPolarHBondContact O-CB 3.02Å; A385-S389 PolarHBondContact O-N 3.16Å; A385-S389 PolarHBondContact O-OG 3.13Å; A385-S389 VanDerWaalsContact O-OG 3.04Å |
| 386 | A | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M357 L358 L382 V383 D384 S389 V390 | M357-A386 HydrophobicContact CB-CB 4.36Å; M357-A386 HydrophobicContact CE-CB 3.89Å; M357-A386 HydrophobicContact CG-CB 3.77Å; M357-A386 HydrophobicContact SD-CB 3.74Å; L358-A386 HydrophobicContact CB-CB 3.78Å; L358-A386 HydrophobicContact CD1-CB 3.95Å; L358-A386 HydrophobicContact CG-CB 4.47Å; L382-A386 VanDerWaalsContact O-CB 3.29Å; L382-A386 WeakPolarHBondContact O-CB 3.45Å; L382-A386 PolarHBondContact O-N 3.35Å; L382-A386 VanDerWaalsContact O-N 3.12Å; V383-A386 PolarHBondContact O-N 2.82Å; D384-A386 VanDerWaalsContact C-N 3.27Å; D384-A386 PolarHBondContact O-N 2.8Å; A386-S389 PolarHBondContact O-N 3.42Å; A386-V390 WeakPolarHBondContact O-CB 3.41Å; A386-V390 VanDerWaalsContact O-CG2 3.24Å; A386-V390 WeakPolarHBondContact O-CG2 3.35Å; A386-V390 PolarHBondContact O-N 3.19Å |
| 387 | L | 91.8 | Very high | 89 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.4 | -73.6 | 166.8 | 0 | 0 | 0 | 111.3 | L358 V383 D384 V390 A391 R409 E410 W413 | L358-L387 HydrophobicContact CD1-CD2 3.75Å; L358-L387 HydrophobicContact CD1-CG 3.72Å; L358-L387 HydrophobicContact CD2-CD2 3.8Å; L358-L387 HydrophobicContact CG-CD2 4.44Å; V383-L387 HydrophobicContact CG1-CD1 4.09Å; V383-L387 HydrophobicContact CG1-CG 4.49Å; V383-L387 WeakPolarHBondContact O-CG 3.06Å; V383-L387 PolarHBondContact O-N 3.17Å; D384-L387 WeakPolarHBondContact O-CB 3.5Å; D384-L387 PolarHBondContact O-N 2.65Å; D384-L387 VanDerWaalsContact O-N 3.09Å; L387-V390 PolarHBondContact O-N 2.96Å; L387-A391 WeakPolarHBondContact O-CB 3.49Å; L387-A391 PolarHBondContact O-N 3.04Å; L387-R409 HydrophobicContact CD2-CB 4.35Å; L387-R409 HydrophobicContact CD2-CG 4.21Å; L387-E410 HydrophobicContact CB-CB 3.97Å; L387-E410 HydrophobicContact CB-CG 4.35Å; L387-E410 HydrophobicContact CD1-CB 4.19Å; L387-W413 HydrophobicContact CD1-CB 3.96Å; L387-W413 HydrophobicContact CD1-CG 4.07Å |
| 388 | I | 90.3 | Very high | 88.7 | Confident | 56 Ų | 56 | 24.4 Ų | 24.4 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.4 | -48 | 177.5 | -63.7 | 170.8 | 0 | 0 | 0 | 110.6 | D384 A385 V390 A391 E392 E410 | D384-I388 WeakPolarHBondContact O-CG1 3.29Å; D384-I388 PolarHBondContact O-N 2.73Å; A385-I388 PolarHBondContact O-N 2.79Å; I388-V390 VanDerWaalsContact C-N 3.33Å; I388-V390 PolarHBondContact O-N 2.81Å; I388-A391 WeakPolarHBondContact O-CB 3.43Å; I388-A391 PolarHBondContact O-N 3.22Å; I388-A391 VanDerWaalsContact O-N 3.11Å; I388-E392 WeakPolarHBondContact O-CB 3.08Å; I388-E392 PolarHBondContact O-N 3.32Å; I388-E410 HydrophobicContact CG1-CG 3.98Å |
| 389 | S | 92.1 | Very high | 88.4 | Confident | 30 Ų | 30 | 20.6 Ų | 20.6 | 21% | 0.21 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.9 | -39 | 179.9 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | A385 A386 T393 | A385-S389 WeakPolarHBondContact O-CB 3.02Å; A385-S389 PolarHBondContact O-N 3.16Å; A385-S389 PolarHBondContact O-OG 3.13Å; A385-S389 VanDerWaalsContact O-OG 3.04Å; A386-S389 PolarHBondContact O-N 3.42Å; S389-T393 WeakPolarHBondContact O-CB 3.4Å; S389-T393 WeakPolarHBondContact O-CG2 3.44Å; S389-T393 PolarHBondContact O-N 2.97Å; S389-T393 PolarHBondContact O-OG1 3.16Å |
| 390 | V | 91.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 172.9 | 177 | 0 | 0 | 0 | 0 | 110.9 | Y354 R355 L358 A386 L387 I388 T393 Y394 M406 | Y354-V390 VanDerWaalsContact C-CG2 3.44Å; Y354-V390 WeakPolarHBondContact O-CG2 3.49Å; R355-V390 HydrophobicContact CG-CG1 4.19Å; R355-V390 HydrophobicContact CG-CG2 4.15Å; L358-V390 HydrophobicContact CB-CG2 4.5Å; L358-V390 HydrophobicContact CD2-CG2 4.36Å; A386-V390 WeakPolarHBondContact O-CB 3.41Å; A386-V390 VanDerWaalsContact O-CG2 3.24Å; A386-V390 WeakPolarHBondContact O-CG2 3.35Å; A386-V390 PolarHBondContact O-N 3.19Å; L387-V390 PolarHBondContact O-N 2.96Å; I388-V390 VanDerWaalsContact C-N 3.33Å; I388-V390 PolarHBondContact O-N 2.81Å; V390-T393 WeakPolarHBondContact CA-OG1 3.48Å; V390-T393 PolarHBondContact O-OG1 3.2Å; V390-T393 VanDerWaalsContact O-OG1 3.11Å; V390-Y394 HydrophobicContact CG1-CD2 3.68Å; V390-Y394 HydrophobicContact CG1-CE2 3.31Å; V390-Y394 WeakPolarHBondContact O-CB 3.45Å; V390-Y394 VanDerWaalsContact O-CD2 3.27Å; V390-Y394 WeakPolarHBondContact O-CD2 3.35Å; V390-Y394 PolarHBondContact O-N 3.01Å; V390-M406 HydrophobicContact CG1-CG 3.93Å; V390-M406 HydrophobicContact CG1-SD 4.13Å |
| 391 | A | 89.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L387 I388 Y394 R395 C403 M406 Y407 | L387-A391 WeakPolarHBondContact O-CB 3.49Å; L387-A391 PolarHBondContact O-N 3.04Å; I388-A391 WeakPolarHBondContact O-CB 3.43Å; I388-A391 PolarHBondContact O-N 3.22Å; I388-A391 VanDerWaalsContact O-N 3.11Å; A391-Y394 PolarHBondContact O-N 2.9Å; A391-R395 PolarHBondContact O-N 2.97Å; A391-C403 PolarHBondContact O-SG 3.47Å; A391-M406 HydrophobicContact CB-CB 3.67Å; A391-Y407 HydrophobicContact CB-CD1 4.17Å; A391-Y407 HydrophobicContact CB-CD2 3.99Å; A391-Y407 HydrophobicContact CB-CE1 3.96Å; A391-Y407 HydrophobicContact CB-CE2 3.78Å; A391-Y407 HydrophobicContact CB-CG 4.17Å |
| 392 | E | 89.4 | Confident | 88.1 | Confident | 35 Ų | 35 | 20.4 Ų | 20.4 | 16% | 0.164 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.4 | -41.2 | -178.8 | -168.8 | 57 | -150.8 | 0 | 0 | 111.1 | I388 Y394 R395 T396 Y407 M602 | I388-E392 WeakPolarHBondContact O-CB 3.08Å; I388-E392 PolarHBondContact O-N 3.32Å; E392-Y394 VanDerWaalsContact C-N 3.33Å; E392-Y394 PolarHBondContact O-N 3.07Å; E392-R395 WeakPolarHBondContact O-CA 3.22Å; E392-R395 VanDerWaalsContact O-CB 3.3Å; E392-R395 WeakPolarHBondContact O-CB 3.46Å; E392-R395 PolarHBondContact O-N 3.1Å; E392-R395 VanDerWaalsContact O-N 3.11Å; E392-R395 IonicContact OE1-NH1 2.7Å; E392-R395 IonicContact OE2-CZ 3.04Å; E392-R395 IonicContact OE2-NE 3.35Å; E392-R395 IonicContact OE2-NH1 2.86Å; E392-R395 PolarHBondContact OE2-NH1 3.16Å; E392-T396 PolarHBondContact O-N 3.17Å; E392-T396 PolarHBondContact O-OG1 3.17Å; E392-Y407 PolarHBondContact OE2-OH 2.95Å; E392-M602 VanDerWaalsContact OE1-CG 3.25Å; E392-M602 WeakPolarHBondContact OE1-CG 3.38Å |
| 393 | T | 87.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -35.2 | 173.2 | 46.1 | 0 | 0 | 0 | 0 | 112.9 | A350 Y354 S389 V390 R395 T396 L397 | A350-T393 HydrophobicContact CB-CG2 4.22Å; Y354-T393 HydrophobicContact CD2-CG2 3.51Å; Y354-T393 HydrophobicContact CE2-CG2 3.43Å; Y354-T393 VanDerWaalsContact CE2-CG2 3.43Å; S389-T393 WeakPolarHBondContact O-CB 3.4Å; S389-T393 WeakPolarHBondContact O-CG2 3.44Å; S389-T393 PolarHBondContact O-N 2.97Å; S389-T393 PolarHBondContact O-OG1 3.16Å; V390-T393 WeakPolarHBondContact CA-OG1 3.48Å; V390-T393 PolarHBondContact O-OG1 3.2Å; V390-T393 VanDerWaalsContact O-OG1 3.11Å; T393-R395 VanDerWaalsContact C-N 3.35Å; T393-T396 PolarHBondContact O-N 2.62Å; T393-L397 WeakPolarHBondContact O-CB 3.25Å; T393-L397 WeakPolarHBondContact O-CG 3.49Å; T393-L397 PolarHBondContact O-N 3.24Å |
| 394 | Y | 87.4 | Confident | 88 | Confident | 9 Ų | 9 | 19.9 Ų | 19.9 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 170.3 | -78.1 | -41.7 | 0 | 0 | 0 | 112.4 | I212 V351 V390 A391 E392 L397 G398 C399 Q402 M406 | I212-Y394 HydrophobicContact CD1-CD1 4.26Å; I212-Y394 HydrophobicContact CD1-CE1 4.32Å; I212-Y394 HydrophobicContact CG2-CE1 4.01Å; V351-Y394 HydrophobicContact CG2-CD1 4.06Å; V351-Y394 HydrophobicContact CG2-CE1 3.74Å; V390-Y394 HydrophobicContact CG1-CD2 3.68Å; V390-Y394 HydrophobicContact CG1-CE2 3.31Å; V390-Y394 WeakPolarHBondContact O-CB 3.45Å; V390-Y394 VanDerWaalsContact O-CD2 3.27Å; V390-Y394 WeakPolarHBondContact O-CD2 3.35Å; V390-Y394 PolarHBondContact O-N 3.01Å; A391-Y394 PolarHBondContact O-N 2.9Å; E392-Y394 VanDerWaalsContact C-N 3.33Å; E392-Y394 PolarHBondContact O-N 3.07Å; Y394-L397 CarbonylContact O-C 3.22Å; Y394-L397 PolarHBondContact O-N 3.01Å; Y394-G398 PolarHBondContact O-N 3.09Å; Y394-C399 HydrophobicContact CD1-CB 4.41Å; Y394-C399 PolarHBondContact O-N 2.95Å; Y394-Q402 HydrophobicContact CD1-CB 4.26Å; Y394-Q402 HydrophobicContact CD2-CB 3.76Å; Y394-Q402 HydrophobicContact CE1-CB 4.43Å; Y394-Q402 HydrophobicContact CE2-CB 3.92Å; Y394-Q402 HydrophobicContact CG-CB 3.95Å; Y394-M406 HydrophobicContact CD2-CG 3.87Å; Y394-M406 HydrophobicContact CE2-CG 3.92Å |
| 395 | R | 87.1 | Confident | 88.1 | Confident | 33 Ų | 33 | 21 Ų | 21 | 13% | 0.125 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 172.4 | -178.5 | -178.6 | -76.4 | 157.6 | -12.6 | 110.7 | A391 E392 T393 L397 G398 Y400 Y407 S430 | A391-R395 PolarHBondContact O-N 2.97Å; E392-R395 WeakPolarHBondContact O-CA 3.22Å; E392-R395 VanDerWaalsContact O-CB 3.3Å; E392-R395 WeakPolarHBondContact O-CB 3.46Å; E392-R395 PolarHBondContact O-N 3.1Å; E392-R395 VanDerWaalsContact O-N 3.11Å; E392-R395 IonicContact OE1-NH1 2.7Å; E392-R395 IonicContact OE2-CZ 3.04Å; E392-R395 IonicContact OE2-NE 3.35Å; E392-R395 IonicContact OE2-NH1 2.86Å; E392-R395 PolarHBondContact OE2-NH1 3.16Å; T393-R395 VanDerWaalsContact C-N 3.35Å; R395-L397 VanDerWaalsContact C-N 3.28Å; R395-L397 PolarHBondContact O-N 2.98Å; R395-G398 VanDerWaalsContact O-CA 3.31Å; R395-G398 WeakPolarHBondContact O-CA 3.43Å; R395-G398 PolarHBondContact O-N 2.77Å; R395-Y400 HydrophobicContact CG-CE1 4.35Å; R395-Y407 PolarHBondContact NH1-OH 3.04Å; R395-S430 VanDerWaalsContact NH2-C 3.29Å; R395-S430 PolarHBondContact NH2-O 2.69Å; R395-S430 PolarHBondContact NH2-OG 3.36Å |
| 396 | T | 82.7 | Confident | 88.1 | Confident | 29 Ų | 29 | 20.4 Ų | 20.4 | 18% | 0.178 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -34.5 | 176.8 | -45.1 | 0 | 0 | 0 | 0 | 111.6 | H347 E392 T393 G398 K599 | H347-T396 WeakPolarHBondContact NE2-CG2 3.44Å; E392-T396 PolarHBondContact O-N 3.17Å; E392-T396 PolarHBondContact O-OG1 3.17Å; T393-T396 PolarHBondContact O-N 2.62Å; T396-G398 PolarHBondContact O-N 2.88Å; T396-K599 WeakPolarHBondContact O-CD 3.34Å; T396-K599 WeakPolarHBondContact O-CE 3.09Å; T396-K599 PolarHBondContact O-NZ 3.42Å |
| 397 | L | 81.4 | Confident | 88.2 | Confident | 12 Ų | 12 | 20.7 Ų | 20.7 | 6% | 0.063 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -73.7 | -13.8 | 173.5 | -72.1 | 171.4 | 0 | 0 | 0 | 112.6 | N210 I212 H347 V351 T393 Y394 R395 K599 | N210-L397 WeakPolarHBondContact O-CD2 3.48Å; I212-L397 HydrophobicContact CG1-CD1 3.84Å; H347-L397 HydrophobicContact CB-CD2 3.82Å; H347-L397 HydrophobicContact CB-CG 4.07Å; V351-L397 HydrophobicContact CB-CD1 4.12Å; V351-L397 HydrophobicContact CG1-CD1 3.76Å; T393-L397 WeakPolarHBondContact O-CB 3.25Å; T393-L397 WeakPolarHBondContact O-CG 3.49Å; T393-L397 PolarHBondContact O-N 3.24Å; Y394-L397 CarbonylContact O-C 3.22Å; Y394-L397 PolarHBondContact O-N 3.01Å; R395-L397 VanDerWaalsContact C-N 3.28Å; R395-L397 PolarHBondContact O-N 2.98Å; L397-K599 PolarHBondContact O-NZ 3.19Å |
| 398 | G | 78.8 | Confident | 88.3 | Confident | 9 Ų | 9 | 21.9 Ų | 21.9 | 9% | 0.093 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 16.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | R172 Y394 R395 T396 Y400 | R172-G398 PolarHBondContact NE-O 3.34Å; R172-G398 VanDerWaalsContact NE-O 3.14Å; R172-G398 PolarHBondContact NH2-O 3.49Å; Y394-G398 PolarHBondContact O-N 3.09Å; R395-G398 VanDerWaalsContact O-CA 3.31Å; R395-G398 WeakPolarHBondContact O-CA 3.43Å; R395-G398 PolarHBondContact O-N 2.77Å; T396-G398 PolarHBondContact O-N 2.88Å; G398-Y400 WeakPolarHBondContact O-CD2 3.33Å; G398-Y400 WeakPolarHBondContact O-CE2 3.38Å; G398-Y400 PolarHBondContact O-N 2.97Å |
| 399 | C | 82.8 | Confident | 88.4 | Confident | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.061 | 11% | 0.108 | C | C | . | . | trans | -95.2 | 71.2 | 179.2 | -73 | 0 | 0 | 0 | 0 | 111.9 | I212 Y394 D401 Q402 C403 | I212-C399 HydrophobicContact CD1-CB 3.69Å; I212-C399 WeakPolarHBondContact CD1-SG 3.46Å; Y394-C399 HydrophobicContact CD1-CB 4.41Å; Y394-C399 PolarHBondContact O-N 2.95Å; C399-D401 VanDerWaalsContact C-N 3.27Å; C399-D401 PolarHBondContact O-N 3.48Å; C399-Q402 PolarHBondContact O-N 2.97Å; C399-C403 WeakPolarHBondContact O-CB 3.32Å; C399-C403 PolarHBondContact O-N 3.13Å | ||
| 400 | Y | 87.3 | Confident | 88.5 | Confident | 52 Ų | 52 | 20.6 Ų | 20.6 | 20% | 0.204 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -26.9 | -170.9 | -53.2 | -57.5 | 0 | 0 | 0 | 114.7 | R395 G398 A404 A434 L437 | R395-Y400 HydrophobicContact CG-CE1 4.35Å; G398-Y400 WeakPolarHBondContact O-CD2 3.33Å; G398-Y400 WeakPolarHBondContact O-CE2 3.38Å; G398-Y400 PolarHBondContact O-N 2.97Å; Y400-A404 WeakPolarHBondContact O-CB 3.17Å; Y400-A404 PolarHBondContact O-N 2.86Å; Y400-A434 WeakPolarHBondContact CB-O 3.44Å; Y400-L437 HydrophobicContact CD1-CB 4.02Å; Y400-L437 HydrophobicContact CD1-CD1 3.88Å; Y400-L437 HydrophobicContact CD2-CB 3.45Å; Y400-L437 VanDerWaalsContact CD2-CB 3.45Å; Y400-L437 HydrophobicContact CE1-CB 4.25Å; Y400-L437 HydrophobicContact CE1-CD1 3.55Å; Y400-L437 HydrophobicContact CE2-CB 3.7Å; Y400-L437 HydrophobicContact CE2-CD1 4.23Å; Y400-L437 HydrophobicContact CE2-CG 4.47Å; Y400-L437 HydrophobicContact CG-CB 3.62Å; Y400-L437 HydrophobicContact CG-CD1 4.36Å |
| 401 | D | 86 | Confident | 88.5 | Confident | 45 Ų | 45 | 20.6 Ų | 20.6 | 24% | 0.241 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.5 | -47.7 | 175 | 55.9 | -55.6 | 0 | 0 | 0 | 111.7 | R172 C399 E405 I438 | R172-D401 IonicContact CZ-OD1 2.94Å; R172-D401 IonicContact NH1-OD1 3.47Å; R172-D401 PolarHBondContact NH1-OD1 3.32Å; R172-D401 IonicContact NH2-OD1 3.61Å; C399-D401 VanDerWaalsContact C-N 3.27Å; C399-D401 PolarHBondContact O-N 3.48Å; D401-E405 PolarHBondContact O-N 3.44Å; D401-E405 VanDerWaalsContact O-N 3.08Å; D401-I438 HydrophobicContact CB-CD1 4.27Å; D401-I438 HydrophobicContact CB-CG1 4.46Å |
| 402 | Q | 88.6 | Confident | 88.5 | Confident | 34 Ų | 34 | 23.9 Ų | 23.9 | 16% | 0.159 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.5 | -41.2 | 174.6 | -64.6 | -176.2 | -31.6 | 0 | 0 | 111.3 | Y394 C399 A404 E405 M406 | Y394-Q402 HydrophobicContact CD1-CB 4.26Å; Y394-Q402 HydrophobicContact CD2-CB 3.76Å; Y394-Q402 HydrophobicContact CE1-CB 4.43Å; Y394-Q402 HydrophobicContact CE2-CB 3.92Å; Y394-Q402 HydrophobicContact CG-CB 3.95Å; C399-Q402 PolarHBondContact O-N 2.97Å; Q402-A404 PolarHBondContact O-N 3.38Å; Q402-E405 PolarHBondContact O-N 2.92Å; Q402-M406 WeakPolarHBondContact O-CG 3.31Å; Q402-M406 PolarHBondContact O-N 3.39Å |
| 403 | C | 90.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.1 | -50.9 | 173.3 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | A391 C399 E405 M406 Y407 A434 | A391-C403 PolarHBondContact O-SG 3.47Å; C399-C403 WeakPolarHBondContact O-CB 3.32Å; C399-C403 PolarHBondContact O-N 3.13Å; C403-E405 VanDerWaalsContact C-N 3.3Å; C403-E405 PolarHBondContact O-N 2.89Å; C403-M406 PolarHBondContact O-N 3.18Å; C403-Y407 WeakPolarHBondContact O-CD2 3.42Å; C403-Y407 PolarHBondContact O-N 3.38Å; C403-Y407 WeakPolarHBondContact SG-CE2 3.43Å; C403-A434 HydrophobicContact CB-CB 4.36Å |
| 404 | A | 91 | Very high | 88.5 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y400 Q402 Y407 K408 L431 A434 Q435 I438 | Y400-A404 WeakPolarHBondContact O-CB 3.17Å; Y400-A404 PolarHBondContact O-N 2.86Å; Q402-A404 PolarHBondContact O-N 3.38Å; A404-Y407 PolarHBondContact O-N 2.76Å; A404-K408 WeakPolarHBondContact O-CG 3.14Å; A404-K408 PolarHBondContact O-N 2.82Å; A404-L431 HydrophobicContact CB-CD1 3.71Å; A404-L431 VanDerWaalsContact O-CD1 3.26Å; A404-L431 WeakPolarHBondContact O-CD1 3.18Å; A404-A434 HydrophobicContact CB-CB 4.15Å; A404-Q435 HydrophobicContact CB-CG 4.06Å; A404-I438 HydrophobicContact CB-CD1 4.15Å |
| 405 | E | 91.5 | Very high | 88.5 | Confident | 45 Ų | 45 | 27.4 Ų | 27.4 | 21% | 0.21 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -38.1 | 177.4 | -163.4 | 67.2 | 179.4 | 0 | 0 | 112.4 | D401 Q402 C403 K408 R409 I458 | D401-E405 PolarHBondContact O-N 3.44Å; D401-E405 VanDerWaalsContact O-N 3.08Å; Q402-E405 PolarHBondContact O-N 2.92Å; C403-E405 VanDerWaalsContact C-N 3.3Å; C403-E405 PolarHBondContact O-N 2.89Å; E405-K408 PolarHBondContact O-N 3.17Å; E405-K408 IonicContact OE2-NZ 3.05Å; E405-R409 WeakPolarHBondContact O-CB 3.46Å; E405-R409 PolarHBondContact O-N 3.07Å; E405-I458 HydrophobicContact CG-CD1 4.37Å; E405-I458 WeakPolarHBondContact OE1-CB 3.5Å; E405-I458 WeakPolarHBondContact OE1-CG1 3.49Å; E405-I458 PolarHBondContact OE1-N 3.35Å |
| 406 | M | 92.2 | Very high | 88.4 | Confident | 21 Ų | 21 | 30 Ų | 30 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 175.1 | -65.9 | -55 | 96.5 | 0 | 0 | 111.7 | V390 A391 Y394 Q402 C403 K408 R409 E410 | V390-M406 HydrophobicContact CG1-CG 3.93Å; V390-M406 HydrophobicContact CG1-SD 4.13Å; A391-M406 HydrophobicContact CB-CB 3.67Å; Y394-M406 HydrophobicContact CD2-CG 3.87Å; Y394-M406 HydrophobicContact CE2-CG 3.92Å; Q402-M406 WeakPolarHBondContact O-CG 3.31Å; Q402-M406 PolarHBondContact O-N 3.39Å; C403-M406 PolarHBondContact O-N 3.18Å; M406-K408 PolarHBondContact O-N 2.9Å; M406-R409 WeakPolarHBondContact O-CB 3.25Å; M406-R409 PolarHBondContact O-N 3.28Å; M406-E410 PolarHBondContact O-N 2.84Å |
| 407 | Y | 94.2 | Very high | 88.5 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 174 | -78.9 | -59.1 | 0 | 0 | 0 | 112.9 | A391 E392 R395 C403 A404 R409 E410 I411 | A391-Y407 HydrophobicContact CB-CD1 4.17Å; A391-Y407 HydrophobicContact CB-CD2 3.99Å; A391-Y407 HydrophobicContact CB-CE1 3.96Å; A391-Y407 HydrophobicContact CB-CE2 3.78Å; A391-Y407 HydrophobicContact CB-CG 4.17Å; E392-Y407 PolarHBondContact OE2-OH 2.95Å; R395-Y407 PolarHBondContact NH1-OH 3.04Å; C403-Y407 WeakPolarHBondContact O-CD2 3.42Å; C403-Y407 PolarHBondContact O-N 3.38Å; C403-Y407 WeakPolarHBondContact SG-CE2 3.43Å; A404-Y407 PolarHBondContact O-N 2.76Å; Y407-R409 PolarHBondContact O-N 3.2Å; Y407-E410 PolarHBondContact O-N 3.41Å; Y407-I411 WeakPolarHBondContact O-CD1 3.42Å; Y407-I411 VanDerWaalsContact O-CG1 3.25Å; Y407-I411 WeakPolarHBondContact O-CG1 3.14Å; Y407-I411 PolarHBondContact O-N 2.75Å |
| 408 | K | 93.5 | Very high | 88.3 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 173.3 | -74.1 | 173.7 | -179.1 | 178.5 | 0 | 111.9 | A404 E405 M406 I411 L412 L431 I458 L460 | A404-K408 WeakPolarHBondContact O-CG 3.14Å; A404-K408 PolarHBondContact O-N 2.82Å; E405-K408 PolarHBondContact O-N 3.17Å; E405-K408 IonicContact OE2-NZ 3.05Å; M406-K408 PolarHBondContact O-N 2.9Å; K408-I411 PolarHBondContact O-N 3.1Å; K408-L412 WeakPolarHBondContact O-CG 3.26Å; K408-L412 PolarHBondContact O-N 3.48Å; K408-L431 HydrophobicContact CG-CD1 3.85Å; K408-L431 HydrophobicContact CG-CD2 3.83Å; K408-I458 HydrophobicContact CB-CG2 4.1Å; K408-L460 HydrophobicContact CB-CB 4.43Å; K408-L460 HydrophobicContact CB-CD2 4.24Å; K408-L460 HydrophobicContact CG-CB 4.22Å; K408-L460 HydrophobicContact CG-CD2 4.01Å |
| 409 | R | 92.4 | Very high | 88 | Confident | 58 Ų | 58 | 34.8 Ų | 34.8 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.2 | -40 | 179.4 | -162.9 | 173.6 | 136.6 | -154.1 | -3.2 | 111.3 | E362 L387 E405 M406 Y407 L412 W413 I458 | E362-R409 IonicContact OE1-CZ 3.05Å; E362-R409 IonicContact OE1-NE 2.63Å; E362-R409 IonicContact OE1-NH2 2.61Å; E362-R409 PolarHBondContact OE1-NH2 3.22Å; E362-R409 IonicContact OE2-NH2 3.26Å; E362-R409 PolarHBondContact OE2-NH2 3.11Å; L387-R409 HydrophobicContact CD2-CB 4.35Å; L387-R409 HydrophobicContact CD2-CG 4.21Å; E405-R409 WeakPolarHBondContact O-CB 3.46Å; E405-R409 PolarHBondContact O-N 3.07Å; M406-R409 WeakPolarHBondContact O-CB 3.25Å; M406-R409 PolarHBondContact O-N 3.28Å; Y407-R409 PolarHBondContact O-N 3.2Å; R409-L412 PolarHBondContact O-N 3.46Å; R409-W413 VanDerWaalsContact O-CB 3.25Å; R409-W413 WeakPolarHBondContact O-CB 3.24Å; R409-W413 PolarHBondContact O-N 3.27Å; R409-I458 HydrophobicContact CB-CD1 3.78Å; R409-I458 HydrophobicContact CG-CD1 3.94Å |
| 410 | E | 92.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 170.9 | -178.4 | -87.9 | -171.4 | 0 | 0 | 111.7 | L387 I388 M406 Y407 L412 W413 A414 S427 | L387-E410 HydrophobicContact CB-CB 3.97Å; L387-E410 HydrophobicContact CB-CG 4.35Å; L387-E410 HydrophobicContact CD1-CB 4.19Å; I388-E410 HydrophobicContact CG1-CG 3.98Å; M406-E410 PolarHBondContact O-N 2.84Å; Y407-E410 PolarHBondContact O-N 3.41Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.45Å; E410-W413 CarbonylContact O-C 3.42Å; E410-W413 WeakPolarHBondContact O-CA 2.84Å; E410-W413 VanDerWaalsContact O-CB 3.31Å; E410-W413 WeakPolarHBondContact O-CB 3.41Å; E410-W413 PolarHBondContact O-N 2.94Å; E410-A414 WeakPolarHBondContact O-CB 3.41Å; E410-A414 PolarHBondContact O-N 2.94Å; E410-S427 WeakPolarHBondContact OE1-CB 3.2Å; E410-S427 PolarHBondContact OE1-OG 3.07Å; E410-S427 WeakPolarHBondContact OE2-CB 3.46Å; E410-S427 PolarHBondContact OE2-OG 3.2Å; E410-S427 VanDerWaalsContact OE2-OG 3.05Å |
| 411 | I | 91.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | -179.5 | -67.5 | 160.3 | 0 | 0 | 0 | 110.6 | Y407 K408 W413 T415 W428 L431 L460 | Y407-I411 WeakPolarHBondContact O-CD1 3.42Å; Y407-I411 VanDerWaalsContact O-CG1 3.25Å; Y407-I411 WeakPolarHBondContact O-CG1 3.14Å; Y407-I411 PolarHBondContact O-N 2.75Å; K408-I411 PolarHBondContact O-N 3.1Å; I411-W413 VanDerWaalsContact C-N 3.32Å; I411-T415 HydrophobicContact CG2-CG2 4.39Å; I411-T415 WeakPolarHBondContact O-CB 3.29Å; I411-T415 VanDerWaalsContact O-CG2 3.22Å; I411-T415 WeakPolarHBondContact O-CG2 3.26Å; I411-T415 PolarHBondContact O-N 3.15Å; I411-T415 PolarHBondContact O-OG1 3.47Å; I411-W428 HydrophobicContact CD1-CD2 3.74Å; I411-W428 HydrophobicContact CD1-CE3 4.17Å; I411-W428 HydrophobicContact CD1-CG 3.92Å; I411-W428 HydrophobicContact CD1-CZ2 4.46Å; I411-W428 HydrophobicContact CG2-CZ2 3.95Å; I411-L431 HydrophobicContact CD1-CB 4.41Å; I411-L431 HydrophobicContact CD1-CD2 3.83Å; I411-L460 HydrophobicContact CB-CD2 3.99Å; I411-L460 HydrophobicContact CD1-CD2 3.81Å; I411-L460 HydrophobicContact CG2-CD1 3.97Å; I411-L460 HydrophobicContact CG2-CD2 3.87Å |
| 412 | L | 90.6 | Very high | 85.6 | Confident | 70 Ų | 70 | 40.1 Ų | 40.1 | 37% | 0.366 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 173.8 | -74.4 | -179.7 | 0 | 0 | 0 | 112 | K408 R409 E410 T415 S416 I458 L460 | K408-L412 WeakPolarHBondContact O-CG 3.26Å; K408-L412 PolarHBondContact O-N 3.48Å; R409-L412 PolarHBondContact O-N 3.46Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.45Å; L412-T415 WeakPolarHBondContact CA-OG1 3.49Å; L412-T415 PolarHBondContact O-OG1 2.86Å; L412-T415 VanDerWaalsContact O-OG1 3.07Å; L412-S416 VanDerWaalsContact O-CB 3.31Å; L412-S416 WeakPolarHBondContact O-CB 3.48Å; L412-S416 PolarHBondContact O-N 3.39Å; L412-S416 PolarHBondContact O-OG 2.8Å; L412-I458 HydrophobicContact CD1-CG2 3.24Å; L412-I458 HydrophobicContact CG-CG2 4.35Å; L412-L460 HydrophobicContact CD2-CD1 3.63Å; L412-L460 HydrophobicContact CG-CD1 3.99Å |
| 413 | W | 89.3 | Confident | 85.1 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -58.2 | 176.3 | -177.9 | -104.3 | 0 | 0 | 0 | 110.7 | Y365 I380 V383 L387 R409 E410 I411 T415 S416 T417 | Y365-W413 AromaticContact CD1-CH2 3.73Å; Y365-W413 HydrophobicContact CD1-CH2 3.73Å; Y365-W413 HydrophobicContact CD1-CZ3 4.38Å; Y365-W413 AromaticContact CD2-CH2 3.69Å; Y365-W413 HydrophobicContact CD2-CH2 3.69Å; Y365-W413 HydrophobicContact CD2-CZ2 4.03Å; Y365-W413 AromaticContact CE1-CH2 3.73Å; Y365-W413 HydrophobicContact CE1-CH2 3.73Å; Y365-W413 HydrophobicContact CE1-CZ3 4.16Å; Y365-W413 AromaticContact CE2-CH2 3.68Å; Y365-W413 HydrophobicContact CE2-CH2 3.68Å; Y365-W413 HydrophobicContact CE2-CZ2 4.08Å; Y365-W413 AromaticContact CG-CH2 3.72Å; Y365-W413 HydrophobicContact CG-CH2 3.72Å; Y365-W413 HydrophobicContact CG-CZ2 4.39Å; Y365-W413 AromaticContact CZ-CH2 3.7Å; I380-W413 PolarHBondContact O-NE1 2.86Å; V383-W413 HydrophobicContact CB-CH2 4.35Å; V383-W413 HydrophobicContact CB-CZ2 3.57Å; V383-W413 HydrophobicContact CG1-CD2 3.88Å; V383-W413 VanDerWaalsContact CG1-CE2 3.44Å; V383-W413 HydrophobicContact CG1-CE3 4.34Å; V383-W413 HydrophobicContact CG1-CG 4.42Å; V383-W413 HydrophobicContact CG1-CH2 4.02Å; V383-W413 HydrophobicContact CG1-CZ2 3.54Å; V383-W413 HydrophobicContact CG1-CZ3 4.4Å; V383-W413 HydrophobicContact CG2-CH2 4.28Å; V383-W413 HydrophobicContact CG2-CZ2 3.83Å; L387-W413 HydrophobicContact CD1-CB 3.96Å; L387-W413 HydrophobicContact CD1-CG 4.07Å; R409-W413 VanDerWaalsContact O-CB 3.25Å; R409-W413 WeakPolarHBondContact O-CB 3.24Å; R409-W413 PolarHBondContact O-N 3.27Å; E410-W413 CarbonylContact O-C 3.42Å; E410-W413 WeakPolarHBondContact O-CA 2.84Å; E410-W413 VanDerWaalsContact O-CB 3.31Å; E410-W413 WeakPolarHBondContact O-CB 3.41Å; E410-W413 PolarHBondContact O-N 2.94Å; I411-W413 VanDerWaalsContact C-N 3.32Å; W413-T415 VanDerWaalsContact C-N 3.32Å; W413-T415 PolarHBondContact O-N 3.47Å; W413-S416 PolarHBondContact O-N 2.91Å; W413-S416 PolarHBondContact O-OG 2.97Å; W413-T417 HydrophobicContact CD2-CG2 4.3Å; W413-T417 HydrophobicContact CZ2-CG2 4.24Å; W413-T417 PolarHBondContact O-N 3.49Å; W413-T417 PolarHBondContact O-OG1 3.39Å; W413-T417 VanDerWaalsContact O-OG1 3.06Å |
| 414 | A | 88.3 | Confident | 84.9 | Confident | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.4 | -38.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E410 G418 L419 I424 | E410-A414 WeakPolarHBondContact O-CB 3.41Å; E410-A414 PolarHBondContact O-N 2.94Å; A414-G418 PolarHBondContact O-N 3.26Å; A414-L419 HydrophobicContact CB-CB 4.21Å; A414-L419 HydrophobicContact CB-CD1 4.36Å; A414-L419 PolarHBondContact O-N 2.87Å; A414-I424 HydrophobicContact CB-CD1 3.98Å; A414-I424 HydrophobicContact CB-CG1 3.7Å |
| 415 | T | 87 | Confident | 84.7 | Confident | 84 Ų | 84 | 42.8 Ų | 42.8 | 52% | 0.515 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.3 | -31.5 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | I411 L412 W413 I424 | I411-T415 HydrophobicContact CG2-CG2 4.39Å; I411-T415 WeakPolarHBondContact O-CB 3.29Å; I411-T415 VanDerWaalsContact O-CG2 3.22Å; I411-T415 WeakPolarHBondContact O-CG2 3.26Å; I411-T415 PolarHBondContact O-N 3.15Å; I411-T415 PolarHBondContact O-OG1 3.47Å; L412-T415 WeakPolarHBondContact CA-OG1 3.49Å; L412-T415 PolarHBondContact O-OG1 2.86Å; L412-T415 VanDerWaalsContact O-OG1 3.07Å; W413-T415 VanDerWaalsContact C-N 3.32Å; W413-T415 PolarHBondContact O-N 3.47Å; T415-I424 HydrophobicContact CG2-CD1 4.31Å |
| 416 | S | 85.3 | Confident | 84.6 | Confident | 88 Ų | 88 | 43 Ų | 43 | 62% | 0.615 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -77.7 | -31.4 | 177.2 | 74.2 | 0 | 0 | 0 | 0 | 113.7 | L412 W413 | L412-S416 VanDerWaalsContact O-CB 3.31Å; L412-S416 WeakPolarHBondContact O-CB 3.48Å; L412-S416 PolarHBondContact O-N 3.39Å; L412-S416 PolarHBondContact O-OG 2.8Å; W413-S416 PolarHBondContact O-N 2.91Å; W413-S416 PolarHBondContact O-OG 2.97Å |
| 417 | T | 83.9 | Confident | 84.5 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -94.6 | -17 | -177.6 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | I380 W413 | I380-T417 HydrophobicContact CG2-CG2 3.81Å; W413-T417 HydrophobicContact CD2-CG2 4.3Å; W413-T417 HydrophobicContact CZ2-CG2 4.24Å; W413-T417 PolarHBondContact O-N 3.49Å; W413-T417 PolarHBondContact O-OG1 3.39Å; W413-T417 VanDerWaalsContact O-OG1 3.06Å |
| 418 | G | 77.7 | Confident | 84.5 | Confident | 65 Ų | 65 | 43 Ų | 43 | 67% | 0.67 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 29.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A414 | A414-G418 PolarHBondContact O-N 3.26Š|
| 419 | L | 71.6 | Confident | 84.5 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | trans | -65.7 | 170.4 | 175 | -76.2 | 162.4 | 0 | 0 | 0 | 112.4 | I380 E381 D384 A414 | I380-L419 HydrophobicContact CG2-CD1 3.95Å; I380-L419 HydrophobicContact CG2-CD2 4.38Å; I380-L419 HydrophobicContact CG2-CG 4.21Å; E381-L419 HydrophobicContact CG-CD2 4.23Å; D384-L419 HydrophobicContact CB-CD1 3.91Å; A414-L419 HydrophobicContact CB-CB 4.21Å; A414-L419 HydrophobicContact CB-CD1 4.36Å; A414-L419 PolarHBondContact O-N 2.87Å | ||
| 420 | S | 70.6 | Confident | 84.5 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | trans | -50.2 | 134.5 | -175.9 | 146.5 | 0 | 0 | 0 | 0 | 113.9 | K422 D423 | S420-K422 VanDerWaalsContact C-N 3.26Å; S420-K422 PolarHBondContact O-N 3.39Å; S420-K422 PolarHBondContact OG-N 3.3Å; S420-D423 WeakPolarHBondContact CB-OD2 3.33Å; S420-D423 PolarHBondContact O-N 3Å; S420-D423 PolarHBondContact OG-OD2 3.43Å | ||
| 421 | T | 64.6 | Low | 84.5 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.3 | -22.6 | 179.6 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | A425 | T421-A425 PolarHBondContact O-N 3.37Å |
| 422 | K | 71.2 | Confident | 84.5 | Confident | 74 Ų | 74 | 40.1 Ų | 40.1 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.5 | -43.2 | 179.2 | -172.2 | -178.1 | 176.4 | -174.9 | 0 | 111.5 | S420 A425 T426 T480 S791 | S420-K422 VanDerWaalsContact C-N 3.26Å; S420-K422 PolarHBondContact O-N 3.39Å; S420-K422 PolarHBondContact OG-N 3.3Å; K422-A425 PolarHBondContact O-N 3.04Å; K422-T426 PolarHBondContact O-N 3.45Å; K422-T426 PolarHBondContact O-OG1 3.41Å; K422-T480 HydrophobicContact CB-CG2 4.3Å; K422-S791 VanDerWaalsContact NZ-CB 3.29Å; K422-S791 PolarHBondContact NZ-OG 3.37Å; K422-S791 VanDerWaalsContact NZ-OG 3.09Å |
| 423 | D | 78.9 | Confident | 84.6 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.1 | -38.9 | -176 | -52.9 | -49.6 | 0 | 0 | 0 | 110.2 | S420 A425 T426 S427 | S420-D423 WeakPolarHBondContact CB-OD2 3.33Å; S420-D423 PolarHBondContact O-N 3Å; S420-D423 PolarHBondContact OG-OD2 3.43Å; D423-A425 VanDerWaalsContact C-N 3.31Å; D423-A425 PolarHBondContact O-N 2.96Å; D423-T426 WeakPolarHBondContact CA-OG1 3.41Å; D423-T426 PolarHBondContact O-N 3.45Å; D423-T426 VanDerWaalsContact O-N 3.14Å; D423-T426 PolarHBondContact O-OG1 2.85Å; D423-S427 PolarHBondContact O-N 3.45Å; D423-S427 PolarHBondContact O-OG 3.35Å; D423-S427 VanDerWaalsContact O-OG 3.11Å |
| 424 | I | 85.6 | Confident | 84.7 | Confident | 22 Ų | 22 | 38 Ų | 38 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.5 | -44 | 172.1 | -65.9 | 172 | 0 | 0 | 0 | 111.4 | A414 T415 S427 W428 | A414-I424 HydrophobicContact CB-CD1 3.98Å; A414-I424 HydrophobicContact CB-CG1 3.7Å; T415-I424 HydrophobicContact CG2-CD1 4.31Å; I424-S427 PolarHBondContact O-N 3.44Å; I424-W428 PolarHBondContact O-N 3.16Å |
| 425 | A | 85.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T421 K422 D423 W428 L429 A476 T480 L485 | T421-A425 PolarHBondContact O-N 3.37Å; K422-A425 PolarHBondContact O-N 3.04Å; D423-A425 VanDerWaalsContact C-N 3.31Å; D423-A425 PolarHBondContact O-N 2.96Å; A425-W428 PolarHBondContact O-N 3.11Å; A425-L429 PolarHBondContact O-N 3.36Å; A425-L429 VanDerWaalsContact O-N 3.12Å; A425-A476 HydrophobicContact CB-CB 3.73Å; A425-T480 HydrophobicContact CB-CG2 4.08Å; A425-L485 HydrophobicContact CB-CD2 3.54Å |
| 426 | T | 89.4 | Confident | 85 | Confident | 50 Ų | 50 | 35.6 Ų | 35.6 | 31% | 0.307 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.7 | -36.3 | 173.5 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | K422 D423 L429 S430 L485 | K422-T426 PolarHBondContact O-N 3.45Å; K422-T426 PolarHBondContact O-OG1 3.41Å; D423-T426 WeakPolarHBondContact CA-OG1 3.41Å; D423-T426 PolarHBondContact O-N 3.45Å; D423-T426 VanDerWaalsContact O-N 3.14Å; D423-T426 PolarHBondContact O-OG1 2.85Å; T426-L429 PolarHBondContact O-N 3.04Å; T426-S430 VanDerWaalsContact O-CB 3.28Å; T426-S430 WeakPolarHBondContact O-CB 3.41Å; T426-S430 PolarHBondContact O-N 2.66Å; T426-S430 PolarHBondContact O-OG 3.24Å; T426-L485 HydrophobicContact CG2-CD1 3.71Å; T426-L485 HydrophobicContact CG2-CD2 4.17Å |
| 427 | S | 91 | Very high | 85.1 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -37.5 | 176.9 | -63.2 | 0 | 0 | 0 | 0 | 112 | E410 D423 I424 S430 L431 | E410-S427 WeakPolarHBondContact OE1-CB 3.2Å; E410-S427 PolarHBondContact OE1-OG 3.07Å; E410-S427 WeakPolarHBondContact OE2-CB 3.46Å; E410-S427 PolarHBondContact OE2-OG 3.2Å; E410-S427 VanDerWaalsContact OE2-OG 3.05Å; D423-S427 PolarHBondContact O-N 3.45Å; D423-S427 PolarHBondContact O-OG 3.35Å; D423-S427 VanDerWaalsContact O-OG 3.11Å; I424-S427 PolarHBondContact O-N 3.44Å; S427-S430 PolarHBondContact O-N 2.86Å; S427-L431 VanDerWaalsContact O-CB 3.31Å; S427-L431 WeakPolarHBondContact O-CB 3.35Å; S427-L431 PolarHBondContact O-N 3.24Å |
| 428 | W | 93.5 | Very high | 85.1 | Confident | 23 Ų | 23 | 33.9 Ų | 33.9 | 9% | 0.087 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 170.7 | -87.3 | 108.4 | 0 | 0 | 0 | 113 | I411 I424 A425 S430 L431 A432 L460 N461 A473 | I411-W428 HydrophobicContact CD1-CD2 3.74Å; I411-W428 HydrophobicContact CD1-CE3 4.17Å; I411-W428 HydrophobicContact CD1-CG 3.92Å; I411-W428 HydrophobicContact CD1-CZ2 4.46Å; I411-W428 HydrophobicContact CG2-CZ2 3.95Å; I424-W428 PolarHBondContact O-N 3.16Å; A425-W428 PolarHBondContact O-N 3.11Å; W428-S430 VanDerWaalsContact C-N 3.32Å; W428-L431 HydrophobicContact CE3-CD2 3.94Å; W428-L431 HydrophobicContact CZ3-CD2 3.92Å; W428-L431 PolarHBondContact O-N 3.47Å; W428-A432 PolarHBondContact O-N 2.79Å; W428-L460 HydrophobicContact CH2-CD1 4.35Å; W428-L460 HydrophobicContact CH2-CD2 3.42Å; W428-L460 VanDerWaalsContact CH2-CD2 3.42Å; W428-L460 HydrophobicContact CH2-CG 3.64Å; W428-L460 HydrophobicContact CZ2-CD1 4.16Å; W428-L460 HydrophobicContact CZ2-CD2 3.66Å; W428-L460 HydrophobicContact CZ2-CG 3.93Å; W428-L460 HydrophobicContact CZ3-CD2 3.98Å; W428-N461 WeakPolarHBondContact CH2-O 3.3Å; W428-A473 HydrophobicContact CB-CB 3.66Å |
| 429 | L | 92.4 | Very high | 84.9 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.1 | -179.4 | 60.1 | 0 | 0 | 0 | 110.6 | A425 T426 L431 A432 Q433 L470 A473 L485 D488 E492 | A425-L429 PolarHBondContact O-N 3.36Å; A425-L429 VanDerWaalsContact O-N 3.12Å; T426-L429 PolarHBondContact O-N 3.04Å; L429-L431 PolarHBondContact O-N 3.02Å; L429-A432 WeakPolarHBondContact O-CB 3.38Å; L429-A432 PolarHBondContact O-N 2.93Å; L429-Q433 WeakPolarHBondContact O-CG 3.12Å; L429-Q433 PolarHBondContact O-N 3.21Å; L429-L470 HydrophobicContact CD1-CD2 4.3Å; L429-A473 HydrophobicContact CB-CB 4.12Å; L429-L485 HydrophobicContact CD2-CD1 4.33Å; L429-D488 HydrophobicContact CD2-CB 4.34Å; L429-E492 HydrophobicContact CD1-CB 4.35Å; L429-E492 HydrophobicContact CD1-CG 4.24Å |
| 430 | S | 92.8 | Very high | 84.4 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 177 | -81.6 | 0 | 0 | 0 | 0 | 113.4 | R395 T426 S427 W428 Q433 A434 | R395-S430 VanDerWaalsContact NH2-C 3.29Å; R395-S430 PolarHBondContact NH2-O 2.69Å; R395-S430 PolarHBondContact NH2-OG 3.36Å; T426-S430 VanDerWaalsContact O-CB 3.28Å; T426-S430 WeakPolarHBondContact O-CB 3.41Å; T426-S430 PolarHBondContact O-N 2.66Å; T426-S430 PolarHBondContact O-OG 3.24Å; S427-S430 PolarHBondContact O-N 2.86Å; W428-S430 VanDerWaalsContact C-N 3.32Å; S430-Q433 PolarHBondContact O-N 2.87Å; S430-A434 WeakPolarHBondContact O-CB 3.41Å; S430-A434 PolarHBondContact O-N 3.01Å |
| 431 | L | 93.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 172.6 | 171.4 | 59.4 | 0 | 0 | 0 | 110.7 | A404 K408 I411 S427 W428 L429 Q433 A434 Q435 L460 | A404-L431 HydrophobicContact CB-CD1 3.71Å; A404-L431 VanDerWaalsContact O-CD1 3.26Å; A404-L431 WeakPolarHBondContact O-CD1 3.18Å; K408-L431 HydrophobicContact CG-CD1 3.85Å; K408-L431 HydrophobicContact CG-CD2 3.83Å; I411-L431 HydrophobicContact CD1-CB 4.41Å; I411-L431 HydrophobicContact CD1-CD2 3.83Å; S427-L431 VanDerWaalsContact O-CB 3.31Å; S427-L431 WeakPolarHBondContact O-CB 3.35Å; S427-L431 PolarHBondContact O-N 3.24Å; W428-L431 HydrophobicContact CE3-CD2 3.94Å; W428-L431 HydrophobicContact CZ3-CD2 3.92Å; W428-L431 PolarHBondContact O-N 3.47Å; L429-L431 PolarHBondContact O-N 3.02Å; L431-Q433 PolarHBondContact O-N 3.4Å; L431-A434 PolarHBondContact O-N 3.36Å; L431-Q435 HydrophobicContact CD1-CG 3.97Å; L431-Q435 HydrophobicContact CG-CG 4.47Å; L431-Q435 WeakPolarHBondContact O-CB 3.14Å; L431-Q435 VanDerWaalsContact O-CG 3.31Å; L431-Q435 WeakPolarHBondContact O-CG 3.47Å; L431-Q435 PolarHBondContact O-N 2.93Å; L431-L460 HydrophobicContact CD2-CD2 4.03Å |
| 432 | A | 92.1 | Very high | 82.9 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W428 L429 A434 Q435 R436 L470 | W428-A432 PolarHBondContact O-N 2.79Å; L429-A432 WeakPolarHBondContact O-CB 3.38Å; L429-A432 PolarHBondContact O-N 2.93Å; A432-A434 PolarHBondContact O-N 3.16Å; A432-Q435 PolarHBondContact O-N 3.12Å; A432-R436 WeakPolarHBondContact O-CB 3.28Å; A432-R436 PolarHBondContact O-N 3.49Å; A432-L470 HydrophobicContact CB-CD2 3.66Å; A432-L470 HydrophobicContact CB-CG 3.78Å |
| 433 | Q | 91.8 | Very high | 81.5 | Confident | 61 Ų | 61 | 34.1 Ų | 34.1 | 29% | 0.285 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.6 | -71.5 | 170.7 | -19.3 | 0 | 0 | 111.7 | L429 S430 L431 R436 L437 | L429-Q433 WeakPolarHBondContact O-CG 3.12Å; L429-Q433 PolarHBondContact O-N 3.21Å; S430-Q433 PolarHBondContact O-N 2.87Å; L431-Q433 PolarHBondContact O-N 3.4Å; Q433-R436 PolarHBondContact O-N 3.04Å; Q433-L437 PolarHBondContact O-N 3.29Å |
| 434 | A | 90.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y400 C403 A404 S430 L431 A432 R436 L437 I438 | Y400-A434 WeakPolarHBondContact CB-O 3.44Å; C403-A434 HydrophobicContact CB-CB 4.36Å; A404-A434 HydrophobicContact CB-CB 4.15Å; S430-A434 WeakPolarHBondContact O-CB 3.41Å; S430-A434 PolarHBondContact O-N 3.01Å; L431-A434 PolarHBondContact O-N 3.36Å; A432-A434 PolarHBondContact O-N 3.16Å; A434-R436 VanDerWaalsContact C-N 3.28Å; A434-R436 PolarHBondContact O-N 3.22Å; A434-L437 PolarHBondContact O-N 3.44Å; A434-L437 VanDerWaalsContact O-N 3.1Å; A434-I438 PolarHBondContact O-N 3.05Å |
| 435 | Q | 91 | Very high | 77 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -37.4 | 178.3 | -74 | 179.6 | -38.1 | 0 | 0 | 113 | A404 L431 A432 L437 I438 S463 V466 S469 | A404-Q435 HydrophobicContact CB-CG 4.06Å; L431-Q435 HydrophobicContact CD1-CG 3.97Å; L431-Q435 HydrophobicContact CG-CG 4.47Å; L431-Q435 WeakPolarHBondContact O-CB 3.14Å; L431-Q435 VanDerWaalsContact O-CG 3.31Å; L431-Q435 WeakPolarHBondContact O-CG 3.47Å; L431-Q435 PolarHBondContact O-N 2.93Å; A432-Q435 PolarHBondContact O-N 3.12Å; Q435-L437 PolarHBondContact O-N 3.33Å; Q435-I438 PolarHBondContact O-N 3.49Å; Q435-S463 PolarHBondContact NE2-O 3.38Å; Q435-V466 HydrophobicContact CB-CG2 3.84Å; Q435-S469 VanDerWaalsContact OE1-CB 3.24Å; Q435-S469 PolarHBondContact OE1-OG 3.42Å |
| 436 | R | 90.2 | Very high | 74.7 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 4% | 0.038 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -29.3 | 178.8 | -158.7 | -176.8 | 171.2 | -172 | -8.7 | 112.6 | K118 D119 G120 A432 Q433 A434 V466 E492 D495 | K118-R436 WeakPolarHBondContact O-CD 3.49Å; K118-R436 WeakPolarHBondContact O-CG 3.4Å; D119-R436 WeakPolarHBondContact CA-O 3.23Å; G120-R436 PolarHBondContact N-O 3.45Å; A432-R436 WeakPolarHBondContact O-CB 3.28Å; A432-R436 PolarHBondContact O-N 3.49Å; Q433-R436 PolarHBondContact O-N 3.04Å; A434-R436 VanDerWaalsContact C-N 3.28Å; A434-R436 PolarHBondContact O-N 3.22Å; R436-V466 HydrophobicContact CB-CG1 3.87Å; R436-V466 HydrophobicContact CB-CG2 4.34Å; R436-V466 HydrophobicContact CG-CG1 4.05Å; R436-E492 IonicContact NH1-OE2 3.91Å; R436-E492 PolarHBondContact NH1-OE2 2.97Å; R436-D495 IonicContact CZ-OD2 3.61Å; R436-D495 IonicContact NH1-OD2 3.76Å; R436-D495 PolarHBondContact NH1-OD2 2.99Å; R436-D495 IonicContact NH2-OD2 3.14Å; R436-D495 PolarHBondContact NH2-OD2 3.35Å |
| 437 | L | 87.7 | Confident | 71.8 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -86.9 | -9.3 | 179.6 | -64.9 | 170 | 0 | 0 | 0 | 113.8 | G120 I123 Y400 Q433 A434 Q435 S439 | G120-L437 WeakPolarHBondContact CA-O 3.38Å; I123-L437 HydrophobicContact CD1-CD2 3.77Å; Y400-L437 HydrophobicContact CD1-CB 4.02Å; Y400-L437 HydrophobicContact CD1-CD1 3.88Å; Y400-L437 HydrophobicContact CD2-CB 3.45Å; Y400-L437 VanDerWaalsContact CD2-CB 3.45Å; Y400-L437 HydrophobicContact CE1-CB 4.25Å; Y400-L437 HydrophobicContact CE1-CD1 3.55Å; Y400-L437 HydrophobicContact CE2-CB 3.7Å; Y400-L437 HydrophobicContact CE2-CD1 4.23Å; Y400-L437 HydrophobicContact CE2-CG 4.47Å; Y400-L437 HydrophobicContact CG-CB 3.62Å; Y400-L437 HydrophobicContact CG-CD1 4.36Å; Q433-L437 PolarHBondContact O-N 3.29Å; A434-L437 PolarHBondContact O-N 3.44Å; A434-L437 VanDerWaalsContact O-N 3.1Å; Q435-L437 PolarHBondContact O-N 3.33Å; L437-S439 PolarHBondContact O-N 3.16Å |
| 438 | I | 85.1 | Confident | 69 | Low | 56 Ų | 56 | 51.7 Ų | 51.7 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | trans | -70.9 | 127.5 | 177.1 | -61.9 | 172.9 | 0 | 0 | 0 | 109.8 | D401 A404 A434 Q435 D442 | D401-I438 HydrophobicContact CB-CD1 4.27Å; D401-I438 HydrophobicContact CB-CG1 4.46Å; A404-I438 HydrophobicContact CB-CD1 4.15Å; A434-I438 PolarHBondContact O-N 3.05Å; Q435-I438 PolarHBondContact O-N 3.49Å; I438-D442 HydrophobicContact CG2-CB 4.37Å | ||
| 439 | S | 72.8 | Confident | 66.2 | Low | 11 Ų | 11 | 52.2 Ų | 52.2 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | trans | -86.4 | 151.8 | 174.1 | 100.1 | 0 | 0 | 0 | 0 | 111.5 | L437 N441 D442 | L437-S439 PolarHBondContact O-N 3.16Å; S439-N441 PolarHBondContact O-N 2.82Å; S439-N441 VanDerWaalsContact O-N 3.11Å; S439-N441 PolarHBondContact OG-N 2.89Å; S439-D442 PolarHBondContact N-OD2 3Å; S439-D442 WeakPolarHBondContact O-CB 3.33Å; S439-D442 PolarHBondContact O-N 2.86Å; S439-D442 PolarHBondContact OG-N 3.29Å; S439-D442 PolarHBondContact OG-OD1 3.46Å; S439-D442 PolarHBondContact OG-OD2 2.87Å | ||
| 440 | T | 62.1 | Low | 63.3 | Low | 112 Ų | 112 | 58 Ų | 58 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.4 | 176.5 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 441 | N | 54.4 | Low | 60.3 | Low | 83 Ų | 83 | 63.1 Ų | 63.1 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -25.6 | 177.4 | -80.1 | 6.8 | 0 | 0 | 0 | 113 | K128 S439 S443 S444 | K128-N441 PolarHBondContact NZ-ND2 3.46Å; S439-N441 PolarHBondContact O-N 2.82Å; S439-N441 VanDerWaalsContact O-N 3.11Å; S439-N441 PolarHBondContact OG-N 2.89Å; N441-S443 PolarHBondContact O-N 3.23Å; N441-S444 PolarHBondContact O-OG 3.33Å |
| 442 | D | 49 | Very low | 57.5 | Low | 27 Ų | 27 | 68.1 Ų | 68.1 | 14% | 0.144 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -68.2 | -20.9 | -169.8 | -61.6 | -11.2 | 0 | 0 | 0 | 112.2 | R172 I438 S439 S444 | R172-D442 IonicContact NH2-OD2 3.65Å; I438-D442 HydrophobicContact CG2-CB 4.37Å; S439-D442 PolarHBondContact N-OD2 3Å; S439-D442 WeakPolarHBondContact O-CB 3.33Å; S439-D442 PolarHBondContact O-N 2.86Å; S439-D442 PolarHBondContact OG-N 3.29Å; S439-D442 PolarHBondContact OG-OD1 3.46Å; S439-D442 PolarHBondContact OG-OD2 2.87Å; D442-S444 PolarHBondContact O-N 2.96Å |
| 443 | S | 40.1 | Very low | 54.5 | Low | 99 Ų | 99 | 69.9 Ų | 69.9 | 69% | 0.692 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -65.1 | -11.7 | -177.1 | 67.3 | 0 | 0 | 0 | 0 | 115.8 | N441 | N441-S443 PolarHBondContact O-N 3.23Š|
| 444 | S | 36.2 | Very low | 51.5 | Low | 100 Ų | 100 | 72.3 Ų | 72.3 | 70% | 0.699 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -108.9 | -7.3 | -173 | 65.1 | 0 | 0 | 0 | 0 | 115.5 | N441 D442 | N441-S444 PolarHBondContact O-OG 3.33Å; D442-S444 PolarHBondContact O-N 2.96Å |
| 445 | T | 33.9 | Very low | 48.9 | Very low | 92 Ų | 92 | 79 Ų | 79 | 56% | 0.564 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -133.2 | 128.8 | -171.7 | 44.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 446 | V | 38 | Very low | 46.7 | Very low | 96 Ų | 96 | 86.1 Ų | 86.1 | 58% | 0.582 | 51% | 0.506 | S | S | * | . | trans | 89.6 | 55.9 | 178.6 | -156.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 447 | S | 29.8 | Very low | 45.2 | Very low | 113 Ų | 113 | 93.6 Ų | 93.6 | 79% | 0.79 | 54% | 0.539 | S | S | * | . | trans | -113.9 | 64.2 | 153 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 448 | N | 32 | Very low | 44.3 | Very low | 117 Ų | 117 | 93.9 Ų | 93.9 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | trans | -89 | -1.7 | 171.8 | -84.1 | -8.1 | 0 | 0 | 0 | 113.4 | K450 | N448-K450 VanDerWaalsContact C-N 3.26Å; N448-K450 PolarHBondContact O-N 2.59Å | ||
| 449 | D | 34.4 | Very low | 43.9 | Very low | 33 Ų | 33 | 98.2 Ų | 98.2 | 18% | 0.176 | 56% | 0.563 | C | S | . | * | trans | -73.6 | 79.3 | 170.5 | -103.2 | -31.7 | 0 | 0 | 0 | 110 | A216 R355 N451 | A216-D449 WeakPolarHBondContact CA-OD1 3.22Å; A216-D449 VanDerWaalsContact CB-OD1 3.24Å; A216-D449 WeakPolarHBondContact CB-OD1 3.35Å; A216-D449 PolarHBondContact N-OD1 2.73Å; A216-D449 VanDerWaalsContact N-OD1 3.16Å; R355-D449 IonicContact CZ-OD2 3.8Å; R355-D449 IonicContact NH1-OD2 2.79Å; R355-D449 IonicContact NH2-OD1 2.67Å; R355-D449 PolarHBondContact NH2-OD1 2.8Å; R355-D449 IonicContact NH2-OD2 3.07Å; R355-D449 PolarHBondContact NH2-OD2 3.45Å; D449-N451 PolarHBondContact O-N 3.23Å; D449-N451 VanDerWaalsContact O-N 3.16Å | ||
| 450 | K | 30.4 | Very low | 44.6 | Very low | 138 Ų | 138 | 98.5 Ų | 98.5 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -10 | 177.8 | -73.9 | -175.4 | 178.1 | 176.9 | 0 | 113.9 | N448 | N448-K450 VanDerWaalsContact C-N 3.26Å; N448-K450 PolarHBondContact O-N 2.59Å |
| 451 | N | 31.5 | Very low | 45.6 | Very low | 113 Ų | 113 | 100 Ų | 100 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -4.2 | -177.1 | -78.9 | -17.7 | 0 | 0 | 0 | 115.2 | A216 D449 G453 | A216-N451 HydrophobicContact CB-CB 3.64Å; D449-N451 PolarHBondContact O-N 3.23Å; D449-N451 VanDerWaalsContact O-N 3.16Å; N451-G453 PolarHBondContact O-N 2.84Å |
| 452 | I | 34.5 | Very low | 47.1 | Very low | 106 Ų | 106 | 97.6 Ų | 97.6 | 54% | 0.544 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -85.5 | 97.2 | 149.5 | -56.6 | 173.1 | 0 | 0 | 0 | 102.6 | A454 | I452-A454 PolarHBondContact O-N 3.21Š|
| 453 | G | 28.3 | Very low | 49 | Very low | 37 Ų | 37 | 96.6 Ų | 96.6 | 38% | 0.381 | 56% | 0.557 | S | S | . | * | trans | -42.9 | 145.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N451 N455 | N451-G453 PolarHBondContact O-N 2.84Å; G453-N455 PolarHBondContact O-N 2.88Å | ||
| 454 | A | 30.2 | Very low | 51 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 93% | 0.934 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -60.1 | 29.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I452 Q456 | I452-A454 PolarHBondContact O-N 3.21Å; A454-Q456 PolarHBondContact O-N 3.23Å |
| 455 | N | 35.9 | Very low | 53.5 | Low | 140 Ų | 140 | 94.8 Ų | 94.8 | 75% | 0.749 | 55% | 0.547 | S | S | * | . | trans | -74.1 | 107.9 | 175.1 | -66.7 | -15.2 | 0 | 0 | 0 | 108.7 | G453 | G453-N455 PolarHBondContact O-N 2.88Š| ||
| 456 | Q | 43.7 | Very low | 56.1 | Low | 175 Ų | 175 | 91.7 Ų | 91.7 | 82% | 0.818 | 53% | 0.528 | S | S | * | . | trans | 37 | 102.2 | 144.7 | -66.7 | 170 | -15.1 | 0 | 0 | 115.5 | A454 I458 | A454-Q456 PolarHBondContact O-N 3.23Å; Q456-I458 PolarHBondContact O-N 2.82Å; Q456-I458 VanDerWaalsContact O-N 3.15Å | ||
| 457 | K | 59.4 | Low | 58.7 | Low | 167 Ų | 167 | 89 Ų | 89 | 73% | 0.726 | 51% | 0.51 | S | S | * | . | trans | -34.8 | 125 | 161 | -87 | -178 | 173.7 | 179 | 0 | 109.4 | I459 | K457-I459 WeakPolarHBondContact O-CG1 3.36Å; K457-I459 PolarHBondContact O-N 3.34Å | ||
| 458 | I | 68.4 | Low | 61.7 | Low | 43 Ų | 43 | 86.3 Ų | 86.3 | 22% | 0.221 | 49% | 0.487 | C | S | . | . | trans | -57.5 | 114.7 | -176.7 | -67.3 | 170.5 | 0 | 0 | 0 | 108.2 | E405 K408 R409 L412 Q456 L460 | E405-I458 HydrophobicContact CG-CD1 4.37Å; E405-I458 WeakPolarHBondContact OE1-CB 3.5Å; E405-I458 WeakPolarHBondContact OE1-CG1 3.49Å; E405-I458 PolarHBondContact OE1-N 3.35Å; K408-I458 HydrophobicContact CB-CG2 4.1Å; R409-I458 HydrophobicContact CB-CD1 3.78Å; R409-I458 HydrophobicContact CG-CD1 3.94Å; L412-I458 HydrophobicContact CD1-CG2 3.24Å; L412-I458 HydrophobicContact CG-CG2 4.35Å; Q456-I458 PolarHBondContact O-N 2.82Å; Q456-I458 VanDerWaalsContact O-N 3.15Å; I458-L460 PolarHBondContact O-N 3.06Å | ||
| 459 | I | 76 | Confident | 64.6 | Low | 148 Ų | 148 | 80.8 Ų | 80.8 | 76% | 0.759 | 46% | 0.458 | S | S | * | . | trans | -87 | 95.6 | 177.4 | -54.5 | 179.5 | 0 | 0 | 0 | 107.2 | K457 | K457-I459 WeakPolarHBondContact O-CG1 3.36Å; K457-I459 PolarHBondContact O-N 3.34Å | ||
| 460 | L | 87.5 | Confident | 67.4 | Low | 16 Ų | 16 | 79.4 Ų | 79.4 | 8% | 0.084 | 45% | 0.45 | C | S | . | . | trans | -96.4 | 118.1 | 171 | 176.6 | 68.9 | 0 | 0 | 0 | 109 | K408 I411 L412 W428 L431 I458 G462 S463 | K408-L460 HydrophobicContact CB-CB 4.43Å; K408-L460 HydrophobicContact CB-CD2 4.24Å; K408-L460 HydrophobicContact CG-CB 4.22Å; K408-L460 HydrophobicContact CG-CD2 4.01Å; I411-L460 HydrophobicContact CB-CD2 3.99Å; I411-L460 HydrophobicContact CD1-CD2 3.81Å; I411-L460 HydrophobicContact CG2-CD1 3.97Å; I411-L460 HydrophobicContact CG2-CD2 3.87Å; L412-L460 HydrophobicContact CD2-CD1 3.63Å; L412-L460 HydrophobicContact CG-CD1 3.99Å; W428-L460 HydrophobicContact CH2-CD1 4.35Å; W428-L460 HydrophobicContact CH2-CD2 3.42Å; W428-L460 VanDerWaalsContact CH2-CD2 3.42Å; W428-L460 HydrophobicContact CH2-CG 3.64Å; W428-L460 HydrophobicContact CZ2-CD1 4.16Å; W428-L460 HydrophobicContact CZ2-CD2 3.66Å; W428-L460 HydrophobicContact CZ2-CG 3.93Å; W428-L460 HydrophobicContact CZ3-CD2 3.98Å; L431-L460 HydrophobicContact CD2-CD2 4.03Å; I458-L460 PolarHBondContact O-N 3.06Å; L460-G462 PolarHBondContact O-N 3.39Å; L460-S463 WeakPolarHBondContact CB-OG 3.38Å; L460-S463 WeakPolarHBondContact O-CB 3.5Å; L460-S463 PolarHBondContact O-N 2.93Å; L460-S463 VanDerWaalsContact O-N 3.1Å; L460-S463 PolarHBondContact O-OG 3.48Å | ||
| 461 | N | 84 | Confident | 70.4 | Confident | 143 Ų | 143 | 75.6 Ų | 75.6 | 77% | 0.765 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 131.6 | 179.2 | -73.3 | -20.5 | 0 | 0 | 0 | 110.7 | W428 | W428-N461 WeakPolarHBondContact CH2-O 3.3Š|
| 462 | G | 85.3 | Confident | 73.4 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 10.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L460 D468 S469 S472 | L460-G462 PolarHBondContact O-N 3.39Å; G462-D468 CarbonylContact O-C 3.59Å; G462-D468 WeakPolarHBondContact O-CB 3.35Å; G462-S469 WeakPolarHBondContact O-CA 3.48Å; G462-S469 PolarHBondContact O-N 3.37Å; G462-S469 VanDerWaalsContact O-N 3.11Å; G462-S472 PolarHBondContact O-OG 3.39Å |
| 463 | S | 88.8 | Confident | 76.1 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 5% | 0.049 | 39% | 0.389 | C | S | . | . | trans | -119 | 15.5 | 176.9 | 74.4 | 0 | 0 | 0 | 0 | 115 | Q435 L460 T465 S469 | Q435-S463 PolarHBondContact NE2-O 3.38Å; L460-S463 WeakPolarHBondContact CB-OG 3.38Å; L460-S463 WeakPolarHBondContact O-CB 3.5Å; L460-S463 PolarHBondContact O-N 2.93Å; L460-S463 VanDerWaalsContact O-N 3.1Å; L460-S463 PolarHBondContact O-OG 3.48Å; S463-T465 VanDerWaalsContact C-N 3.34Å; S463-T465 PolarHBondContact O-N 3.45Å; S463-S469 WeakPolarHBondContact CA-OG 2.99Å | ||
| 464 | A | 84 | Confident | 79.2 | Confident | 93 Ų | 93 | 66 Ų | 66 | 77% | 0.769 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -66.3 | -37 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 465 | T | 87.5 | Confident | 82.1 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -125.5 | 163.3 | 173.4 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | S463 L467 D468 S469 | S463-T465 VanDerWaalsContact C-N 3.34Å; S463-T465 PolarHBondContact O-N 3.45Å; T465-L467 PolarHBondContact O-N 3.46Å; T465-D468 WeakPolarHBondContact CB-OD2 3.44Å; T465-D468 PolarHBondContact N-OD2 2.85Å; T465-D468 PolarHBondContact O-N 2.75Å; T465-D468 VanDerWaalsContact O-N 3.15Å; T465-D468 PolarHBondContact OG1-N 2.82Å; T465-D468 VanDerWaalsContact OG1-N 3.14Å; T465-D468 PolarHBondContact OG1-OD2 2.97Å; T465-S469 PolarHBondContact O-N 3.35Å; T465-S469 VanDerWaalsContact O-N 3.11Å; T465-S469 PolarHBondContact O-OG 2.84Å |
| 466 | V | 88.7 | Confident | 84.6 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.4 | -42.6 | 173 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | Q435 R436 S469 L470 Y496 | Q435-V466 HydrophobicContact CB-CG2 3.84Å; R436-V466 HydrophobicContact CB-CG1 3.87Å; R436-V466 HydrophobicContact CB-CG2 4.34Å; R436-V466 HydrophobicContact CG-CG1 4.05Å; V466-S469 PolarHBondContact O-N 3.28Å; V466-L470 HydrophobicContact CG1-CD1 4.23Å; V466-L470 WeakPolarHBondContact O-CG 3.49Å; V466-L470 PolarHBondContact O-N 3.27Å; V466-Y496 HydrophobicContact CB-CE2 4.12Å; V466-Y496 HydrophobicContact CG1-CD2 4.12Å; V466-Y496 HydrophobicContact CG1-CE2 3.94Å |
| 467 | L | 91.9 | Very high | 86.8 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 178.9 | -177.8 | 60.9 | 0 | 0 | 0 | 111.8 | T465 S469 L470 L471 L493 Y496 Y497 | T465-L467 PolarHBondContact O-N 3.46Å; L467-S469 VanDerWaalsContact C-N 3.31Å; L467-S469 PolarHBondContact O-N 3.11Å; L467-L470 PolarHBondContact O-N 3Å; L467-L471 HydrophobicContact CD1-CD1 4.34Å; L467-L471 HydrophobicContact CD1-CG 4.27Å; L467-L471 HydrophobicContact CG-CD1 4.11Å; L467-L471 HydrophobicContact CG-CG 4.47Å; L467-L471 WeakPolarHBondContact O-CB 3.32Å; L467-L471 VanDerWaalsContact O-CG 3.29Å; L467-L471 WeakPolarHBondContact O-CG 3.47Å; L467-L471 PolarHBondContact O-N 3.16Å; L467-L493 HydrophobicContact CD1-CD2 4.03Å; L467-Y496 HydrophobicContact CB-CE1 4.06Å; L467-Y496 HydrophobicContact CD1-CD1 4.15Å; L467-Y496 HydrophobicContact CD1-CE1 4.02Å; L467-Y496 HydrophobicContact CD2-CE1 4.41Å; L467-Y496 HydrophobicContact CG-CE1 4.39Å; L467-Y497 HydrophobicContact CD1-CE1 3.78Å |
| 468 | D | 92.6 | Very high | 88.1 | Confident | 58 Ų | 58 | 50 Ų | 50 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 176.5 | -60 | -44.4 | 0 | 0 | 0 | 111.1 | G462 T465 L471 S472 | G462-D468 CarbonylContact O-C 3.59Å; G462-D468 WeakPolarHBondContact O-CB 3.35Å; T465-D468 WeakPolarHBondContact CB-OD2 3.44Å; T465-D468 PolarHBondContact N-OD2 2.85Å; T465-D468 PolarHBondContact O-N 2.75Å; T465-D468 VanDerWaalsContact O-N 3.15Å; T465-D468 PolarHBondContact OG1-N 2.82Å; T465-D468 VanDerWaalsContact OG1-N 3.14Å; T465-D468 PolarHBondContact OG1-OD2 2.97Å; D468-L471 PolarHBondContact O-N 2.88Å; D468-S472 WeakPolarHBondContact O-CB 3.29Å; D468-S472 PolarHBondContact O-N 3.09Å; D468-S472 PolarHBondContact O-OG 3.5Å |
| 469 | S | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | Q435 G462 S463 T465 V466 L467 S472 A473 | Q435-S469 VanDerWaalsContact OE1-CB 3.24Å; Q435-S469 PolarHBondContact OE1-OG 3.42Å; G462-S469 WeakPolarHBondContact O-CA 3.48Å; G462-S469 PolarHBondContact O-N 3.37Å; G462-S469 VanDerWaalsContact O-N 3.11Å; S463-S469 WeakPolarHBondContact CA-OG 2.99Å; T465-S469 PolarHBondContact O-N 3.35Å; T465-S469 VanDerWaalsContact O-N 3.11Å; T465-S469 PolarHBondContact O-OG 2.84Å; V466-S469 PolarHBondContact O-N 3.28Å; L467-S469 VanDerWaalsContact C-N 3.31Å; L467-S469 PolarHBondContact O-N 3.11Å; S469-S472 PolarHBondContact O-N 2.9Å; S469-A473 WeakPolarHBondContact O-CB 3.12Å; S469-A473 PolarHBondContact O-N 2.62Å |
| 470 | L | 93.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 174.5 | -76.6 | 173.2 | 0 | 0 | 0 | 111.8 | L429 A432 V466 L467 S472 A473 Y474 E492 L493 Y496 | L429-L470 HydrophobicContact CD1-CD2 4.3Å; A432-L470 HydrophobicContact CB-CD2 3.66Å; A432-L470 HydrophobicContact CB-CG 3.78Å; V466-L470 HydrophobicContact CG1-CD1 4.23Å; V466-L470 WeakPolarHBondContact O-CG 3.49Å; V466-L470 PolarHBondContact O-N 3.27Å; L467-L470 PolarHBondContact O-N 3Å; L470-S472 VanDerWaalsContact C-N 3.3Å; L470-S472 PolarHBondContact O-N 3.36Å; L470-A473 WeakPolarHBondContact O-CB 3.34Å; L470-A473 PolarHBondContact O-N 3.14Å; L470-Y474 WeakPolarHBondContact O-CB 3.42Å; L470-Y474 PolarHBondContact O-N 2.67Å; L470-E492 HydrophobicContact CD2-CB 3.92Å; L470-L493 HydrophobicContact CB-CD2 3.69Å; L470-L493 HydrophobicContact CB-CG 4.15Å; L470-L493 HydrophobicContact CD1-CD2 4.06Å; L470-L493 HydrophobicContact CG-CD2 4.44Å; L470-Y496 HydrophobicContact CD1-CD2 4.27Å; L470-Y496 HydrophobicContact CD1-CG 4.12Å |
| 471 | L | 93.5 | Very high | 88.8 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 176.8 | -70.4 | 173.7 | 0 | 0 | 0 | 111.7 | L467 D468 K475 L493 | L467-L471 HydrophobicContact CD1-CD1 4.34Å; L467-L471 HydrophobicContact CD1-CG 4.27Å; L467-L471 HydrophobicContact CG-CD1 4.11Å; L467-L471 HydrophobicContact CG-CG 4.47Å; L467-L471 WeakPolarHBondContact O-CB 3.32Å; L467-L471 VanDerWaalsContact O-CG 3.29Å; L467-L471 WeakPolarHBondContact O-CG 3.47Å; L467-L471 PolarHBondContact O-N 3.16Å; D468-L471 PolarHBondContact O-N 2.88Å; L471-K475 WeakPolarHBondContact O-CB 3.37Å; L471-K475 VanDerWaalsContact O-CG 3.25Å; L471-K475 WeakPolarHBondContact O-CG 3.38Å; L471-K475 PolarHBondContact O-N 3.04Å; L471-L493 HydrophobicContact CD2-CD2 4.37Å |
| 472 | S | 93.5 | Very high | 88.7 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69 | -42.4 | 174.4 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | G462 D468 S469 L470 Y474 K475 A476 | G462-S472 PolarHBondContact O-OG 3.39Å; D468-S472 WeakPolarHBondContact O-CB 3.29Å; D468-S472 PolarHBondContact O-N 3.09Å; D468-S472 PolarHBondContact O-OG 3.5Å; S469-S472 PolarHBondContact O-N 2.9Å; L470-S472 VanDerWaalsContact C-N 3.3Å; L470-S472 PolarHBondContact O-N 3.36Å; S472-Y474 PolarHBondContact O-N 2.98Å; S472-K475 PolarHBondContact O-N 3.41Å; S472-A476 WeakPolarHBondContact O-CB 2.99Å; S472-A476 PolarHBondContact O-N 3.32Å |
| 473 | A | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W428 L429 S469 L470 A476 S477 | W428-A473 HydrophobicContact CB-CB 3.66Å; L429-A473 HydrophobicContact CB-CB 4.12Å; S469-A473 WeakPolarHBondContact O-CB 3.12Å; S469-A473 PolarHBondContact O-N 2.62Å; L470-A473 WeakPolarHBondContact O-CB 3.34Å; L470-A473 PolarHBondContact O-N 3.14Å; A473-A476 PolarHBondContact O-N 3.37Å; A473-S477 WeakPolarHBondContact O-CB 2.95Å; A473-S477 PolarHBondContact O-N 3.39Å; A473-S477 PolarHBondContact O-OG 2.86Å |
| 474 | Y | 92.3 | Very high | 88.4 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 13% | 0.125 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | 178.4 | 168.1 | -100.8 | 0 | 0 | 0 | 113.1 | L470 S472 S477 K478 I486 C489 L490 L493 E512 | L470-Y474 WeakPolarHBondContact O-CB 3.42Å; L470-Y474 PolarHBondContact O-N 2.67Å; S472-Y474 PolarHBondContact O-N 2.98Å; Y474-S477 WeakPolarHBondContact CA-OG 3.48Å; Y474-S477 PolarHBondContact O-OG 3.42Å; Y474-K478 HydrophobicContact CE1-CD 4.24Å; Y474-K478 HydrophobicContact CE2-CD 4.45Å; Y474-K478 PolarHBondContact O-N 3.22Å; Y474-K478 WeakPolarHBondContact OH-CE 2.99Å; Y474-K478 PolarHBondContact OH-NZ 3.1Å; Y474-I486 HydrophobicContact CD2-CG2 4.44Å; Y474-I486 HydrophobicContact CE2-CG2 4.2Å; Y474-C489 HydrophobicContact CD2-CB 4.38Å; Y474-L490 HydrophobicContact CD2-CD2 4.01Å; Y474-L490 HydrophobicContact CD2-CG 4.13Å; Y474-L490 HydrophobicContact CE2-CD1 4.34Å; Y474-L490 HydrophobicContact CE2-CD2 3.54Å; Y474-L490 HydrophobicContact CE2-CG 3.87Å; Y474-L493 HydrophobicContact CG-CD1 4.3Å; Y474-E512 PolarHBondContact OH-OE1 3.25Å; Y474-E512 PolarHBondContact OH-OE2 3.03Å |
| 475 | K | 91 | Very high | 88.5 | Confident | 143 Ų | 143 | 45.9 Ų | 45.9 | 62% | 0.622 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 172.3 | -75.6 | 171.6 | -173.3 | 175.6 | 0 | 111.5 | L471 S472 K478 | L471-K475 WeakPolarHBondContact O-CB 3.37Å; L471-K475 VanDerWaalsContact O-CG 3.25Å; L471-K475 WeakPolarHBondContact O-CG 3.38Å; L471-K475 PolarHBondContact O-N 3.04Å; S472-K475 PolarHBondContact O-N 3.41Å; K475-K478 PolarHBondContact O-N 2.74Å |
| 476 | A | 89 | Confident | 88.5 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A425 S472 A473 K478 L479 T480 | A425-A476 HydrophobicContact CB-CB 3.73Å; S472-A476 WeakPolarHBondContact O-CB 2.99Å; S472-A476 PolarHBondContact O-N 3.32Å; A473-A476 PolarHBondContact O-N 3.37Å; A476-K478 VanDerWaalsContact C-N 3.31Å; A476-K478 PolarHBondContact O-N 2.92Å; A476-L479 WeakPolarHBondContact O-CB 3.19Å; A476-L479 PolarHBondContact O-N 3.43Å; A476-T480 PolarHBondContact O-N 3.5Å |
| 477 | S | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -35.1 | 179.1 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | A473 Y474 L479 T480 G481 | A473-S477 WeakPolarHBondContact O-CB 2.95Å; A473-S477 PolarHBondContact O-N 3.39Å; A473-S477 PolarHBondContact O-OG 2.86Å; Y474-S477 WeakPolarHBondContact CA-OG 3.48Å; Y474-S477 PolarHBondContact O-OG 3.42Å; S477-L479 VanDerWaalsContact C-N 3.27Å; S477-L479 PolarHBondContact O-N 3.3Å; S477-T480 PolarHBondContact O-N 3.37Å; S477-T480 VanDerWaalsContact O-N 3.08Å; S477-T480 PolarHBondContact O-OG1 3.23Å; S477-G481 PolarHBondContact O-N 3.49Å |
| 478 | K | 87.7 | Confident | 88.3 | Confident | 102 Ų | 102 | 44.4 Ų | 44.4 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.8 | -33.3 | 171.9 | -78.7 | -170.7 | 166.6 | -175.5 | 0 | 113.8 | Y474 K475 A476 T480 I486 E512 | Y474-K478 HydrophobicContact CE1-CD 4.24Å; Y474-K478 HydrophobicContact CE2-CD 4.45Å; Y474-K478 PolarHBondContact O-N 3.22Å; Y474-K478 WeakPolarHBondContact OH-CE 2.99Å; Y474-K478 PolarHBondContact OH-NZ 3.1Å; K475-K478 PolarHBondContact O-N 2.74Å; A476-K478 VanDerWaalsContact C-N 3.31Å; A476-K478 PolarHBondContact O-N 2.92Å; K478-T480 VanDerWaalsContact C-N 3.29Å; K478-I486 HydrophobicContact CG-CD1 4.38Å; K478-E512 IonicContact NZ-OE1 3.88Å; K478-E512 PolarHBondContact NZ-OE1 3.32Å |
| 479 | L | 85.6 | Confident | 88.2 | Confident | 143 Ų | 143 | 41.7 Ų | 41.7 | 75% | 0.749 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -72.1 | -24.6 | 176.6 | -62.1 | 172.3 | 0 | 0 | 0 | 112.7 | A476 S477 | A476-L479 WeakPolarHBondContact O-CB 3.19Å; A476-L479 PolarHBondContact O-N 3.43Å; S477-L479 VanDerWaalsContact C-N 3.27Å; S477-L479 PolarHBondContact O-N 3.3Å |
| 480 | T | 82.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 22% | 0.221 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -79.2 | -21.7 | 179.6 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | K422 A425 A476 S477 K478 S482 | K422-T480 HydrophobicContact CB-CG2 4.3Å; A425-T480 HydrophobicContact CB-CG2 4.08Å; A476-T480 PolarHBondContact O-N 3.5Å; S477-T480 PolarHBondContact O-N 3.37Å; S477-T480 VanDerWaalsContact O-N 3.08Å; S477-T480 PolarHBondContact O-OG1 3.23Å; K478-T480 VanDerWaalsContact C-N 3.29Å; T480-S482 PolarHBondContact O-N 3.19Å; T480-S482 WeakPolarHBondContact OG1-CB 3.47Å; T480-S482 PolarHBondContact OG1-N 3.48Å; T480-S482 VanDerWaalsContact OG1-N 3.1Å |
| 481 | G | 76.9 | Confident | 88 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 55% | 0.546 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S477 V483 | S477-G481 PolarHBondContact O-N 3.49Å; G481-V483 PolarHBondContact O-N 2.94Å; G481-V483 VanDerWaalsContact O-N 3.15Å |
| 482 | S | 82.4 | Confident | 87.8 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | trans | -73.6 | 105.6 | 179.7 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | T480 S484 L485 I486 | T480-S482 PolarHBondContact O-N 3.19Å; T480-S482 WeakPolarHBondContact OG1-CB 3.47Å; T480-S482 PolarHBondContact OG1-N 3.48Å; T480-S482 VanDerWaalsContact OG1-N 3.1Å; S482-S484 VanDerWaalsContact C-N 3.31Å; S482-S484 PolarHBondContact O-N 3.21Å; S482-S484 PolarHBondContact OG-OG 2.83Å; S482-L485 PolarHBondContact O-N 3.24Å; S482-I486 WeakPolarHBondContact O-CG1 3.45Å; S482-I486 PolarHBondContact O-N 2.9Å | ||
| 483 | V | 84.9 | Confident | 87.8 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 30% | 0.297 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.1 | -37.3 | -176.8 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | G481 I486 A487 I516 C520 | G481-V483 PolarHBondContact O-N 2.94Å; G481-V483 VanDerWaalsContact O-N 3.15Å; V483-I486 PolarHBondContact O-N 3.45Å; V483-A487 WeakPolarHBondContact O-CB 3.15Å; V483-A487 PolarHBondContact O-N 3.26Å; V483-I516 HydrophobicContact CG1-CG2 3.32Å; V483-C520 WeakPolarHBondContact CG1-SG 3.33Å |
| 484 | S | 83.7 | Confident | 87.7 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 54% | 0.538 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.7 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | S482 I486 A487 D488 | S482-S484 VanDerWaalsContact C-N 3.31Å; S482-S484 PolarHBondContact O-N 3.21Å; S482-S484 PolarHBondContact OG-OG 2.83Å; S484-I486 PolarHBondContact O-N 3.37Å; S484-A487 WeakPolarHBondContact O-CB 3.46Å; S484-A487 PolarHBondContact O-N 2.98Å; S484-D488 PolarHBondContact O-N 3.5Å |
| 485 | L | 84.6 | Confident | 87.4 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -36.7 | -178.9 | -169.7 | 64.2 | 0 | 0 | 0 | 112.2 | A425 T426 L429 S482 A487 D488 C489 | A425-L485 HydrophobicContact CB-CD2 3.54Å; T426-L485 HydrophobicContact CG2-CD1 3.71Å; T426-L485 HydrophobicContact CG2-CD2 4.17Å; L429-L485 HydrophobicContact CD2-CD1 4.33Å; S482-L485 PolarHBondContact O-N 3.24Å; L485-A487 VanDerWaalsContact C-N 3.34Å; L485-D488 PolarHBondContact O-N 3.49Å; L485-C489 PolarHBondContact O-N 3.1Å; L485-C489 PolarHBondContact O-SG 3.42Å |
| 486 | I | 88 | Confident | 87.3 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 172.9 | -62.6 | 165.3 | 0 | 0 | 0 | 109.8 | Y474 K478 S482 V483 S484 D488 C489 L490 I516 | Y474-I486 HydrophobicContact CD2-CG2 4.44Å; Y474-I486 HydrophobicContact CE2-CG2 4.2Å; K478-I486 HydrophobicContact CG-CD1 4.38Å; S482-I486 WeakPolarHBondContact O-CG1 3.45Å; S482-I486 PolarHBondContact O-N 2.9Å; V483-I486 PolarHBondContact O-N 3.45Å; S484-I486 PolarHBondContact O-N 3.37Å; I486-D488 PolarHBondContact O-N 3Å; I486-C489 PolarHBondContact O-N 3.47Å; I486-L490 HydrophobicContact CG2-CD1 4.04Å; I486-L490 WeakPolarHBondContact O-CG 3.39Å; I486-L490 PolarHBondContact O-N 3.06Å; I486-I516 HydrophobicContact CB-CD1 4.47Å; I486-I516 HydrophobicContact CG2-CD1 3.47Å; I486-I516 VanDerWaalsContact CG2-CD1 3.47Å |
| 487 | A | 88.5 | Confident | 87.5 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V483 S484 L485 L490 K491 L513 | V483-A487 WeakPolarHBondContact O-CB 3.15Å; V483-A487 PolarHBondContact O-N 3.26Å; S484-A487 WeakPolarHBondContact O-CB 3.46Å; S484-A487 PolarHBondContact O-N 2.98Å; L485-A487 VanDerWaalsContact C-N 3.34Å; A487-L490 PolarHBondContact O-N 2.59Å; A487-K491 WeakPolarHBondContact O-CG 3.47Å; A487-K491 PolarHBondContact O-N 3Å; A487-L513 HydrophobicContact CB-CD1 4.1Å |
| 488 | D | 87.7 | Confident | 87.3 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.9 | -65.7 | -24.9 | 0 | 0 | 0 | 112.2 | L429 S484 L485 I486 L490 K491 E492 | L429-D488 HydrophobicContact CD2-CB 4.34Å; S484-D488 PolarHBondContact O-N 3.5Å; L485-D488 PolarHBondContact O-N 3.49Å; I486-D488 PolarHBondContact O-N 3Å; D488-L490 VanDerWaalsContact C-N 3.33Å; D488-L490 PolarHBondContact O-N 2.81Å; D488-K491 PolarHBondContact O-N 3.37Å; D488-K491 IonicContact OD1-NZ 3.8Å; D488-K491 PolarHBondContact OD1-NZ 3.37Å; D488-E492 PolarHBondContact O-N 3.06Å; D488-E492 VanDerWaalsContact O-N 3.1Å |
| 489 | C | 90.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 171.6 | -66 | 0 | 0 | 0 | 0 | 112 | Y474 L485 I486 E492 L493 | Y474-C489 HydrophobicContact CD2-CB 4.38Å; L485-C489 PolarHBondContact O-N 3.1Å; L485-C489 PolarHBondContact O-SG 3.42Å; I486-C489 PolarHBondContact O-N 3.47Å; C489-E492 PolarHBondContact O-N 3.44Å; C489-L493 WeakPolarHBondContact O-CB 3.34Å; C489-L493 WeakPolarHBondContact O-CG 3.39Å; C489-L493 PolarHBondContact O-N 2.95Å |
| 490 | L | 91.6 | Very high | 87 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -37.4 | 178.5 | -74.1 | 170.7 | 0 | 0 | 0 | 112.5 | Y474 I486 A487 D488 L493 L494 T509 E512 L513 I516 | Y474-L490 HydrophobicContact CD2-CD2 4.01Å; Y474-L490 HydrophobicContact CD2-CG 4.13Å; Y474-L490 HydrophobicContact CE2-CD1 4.34Å; Y474-L490 HydrophobicContact CE2-CD2 3.54Å; Y474-L490 HydrophobicContact CE2-CG 3.87Å; I486-L490 HydrophobicContact CG2-CD1 4.04Å; I486-L490 WeakPolarHBondContact O-CG 3.39Å; I486-L490 PolarHBondContact O-N 3.06Å; A487-L490 PolarHBondContact O-N 2.59Å; D488-L490 VanDerWaalsContact C-N 3.33Å; D488-L490 PolarHBondContact O-N 2.81Å; L490-L493 PolarHBondContact O-N 3.49Å; L490-L494 WeakPolarHBondContact O-CB 3.36Å; L490-L494 WeakPolarHBondContact O-CG 3.4Å; L490-L494 PolarHBondContact O-N 3.25Å; L490-T509 HydrophobicContact CB-CG2 4.29Å; L490-T509 HydrophobicContact CD2-CG2 3.57Å; L490-E512 HydrophobicContact CD1-CG 4.16Å; L490-L513 HydrophobicContact CB-CD1 3.91Å; L490-L513 HydrophobicContact CD1-CB 4.47Å; L490-L513 HydrophobicContact CD1-CD1 4.3Å; L490-I516 HydrophobicContact CD1-CD1 3.43Å; L490-I516 VanDerWaalsContact CD1-CD1 3.43Å |
| 491 | K | 90.8 | Very high | 87.1 | Confident | 92 Ų | 92 | 45.7 Ų | 45.7 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 173.8 | -73.3 | 171 | -167.8 | 161.6 | 0 | 111.4 | A487 D488 L494 D495 L513 | A487-K491 WeakPolarHBondContact O-CG 3.47Å; A487-K491 PolarHBondContact O-N 3Å; D488-K491 PolarHBondContact O-N 3.37Å; D488-K491 IonicContact OD1-NZ 3.8Å; D488-K491 PolarHBondContact OD1-NZ 3.37Å; K491-L494 WeakPolarHBondContact O-CB 3.4Å; K491-L494 PolarHBondContact O-N 3.43Å; K491-D495 PolarHBondContact O-N 3.43Å; K491-D495 VanDerWaalsContact O-N 3.08Å; K491-L513 HydrophobicContact CG-CD1 4.42Å; K491-L513 HydrophobicContact CG-CD2 4.3Å |
| 492 | E | 91 | Very high | 87.6 | Confident | 27 Ų | 27 | 48 Ų | 48 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 177 | -77.9 | -61.9 | 141.7 | 0 | 0 | 112.4 | K118 L429 R436 L470 D488 C489 D495 Y496 | K118-E492 IonicContact NZ-OE1 3.79Å; K118-E492 PolarHBondContact NZ-OE1 3.38Å; L429-E492 HydrophobicContact CD1-CB 4.35Å; L429-E492 HydrophobicContact CD1-CG 4.24Å; R436-E492 IonicContact NH1-OE2 3.91Å; R436-E492 PolarHBondContact NH1-OE2 2.97Å; L470-E492 HydrophobicContact CD2-CB 3.92Å; D488-E492 PolarHBondContact O-N 3.06Å; D488-E492 VanDerWaalsContact O-N 3.1Å; C489-E492 PolarHBondContact O-N 3.44Å; E492-D495 PolarHBondContact O-N 3.36Å; E492-Y496 WeakPolarHBondContact O-CB 3.18Å; E492-Y496 PolarHBondContact O-N 2.88Å |
| 493 | L | 92 | Very high | 87.8 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 172 | -82.6 | 167.4 | 0 | 0 | 0 | 112.3 | L467 L470 L471 Y474 C489 L490 Y496 Y497 T509 | L467-L493 HydrophobicContact CD1-CD2 4.03Å; L470-L493 HydrophobicContact CB-CD2 3.69Å; L470-L493 HydrophobicContact CB-CG 4.15Å; L470-L493 HydrophobicContact CD1-CD2 4.06Å; L470-L493 HydrophobicContact CG-CD2 4.44Å; L471-L493 HydrophobicContact CD2-CD2 4.37Å; Y474-L493 HydrophobicContact CG-CD1 4.3Å; C489-L493 WeakPolarHBondContact O-CB 3.34Å; C489-L493 WeakPolarHBondContact O-CG 3.39Å; C489-L493 PolarHBondContact O-N 2.95Å; L490-L493 PolarHBondContact O-N 3.49Å; L493-Y496 PolarHBondContact O-N 3.01Å; L493-Y497 HydrophobicContact CB-CD2 4.47Å; L493-Y497 HydrophobicContact CB-CE2 4.11Å; L493-Y497 HydrophobicContact CD2-CE2 4.11Å; L493-Y497 WeakPolarHBondContact O-CD2 3.29Å; L493-Y497 VanDerWaalsContact O-CG 3.28Å; L493-Y497 PolarHBondContact O-N 2.77Å; L493-T509 HydrophobicContact CB-CG2 4.08Å |
| 494 | L | 90.4 | Very high | 87.9 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.8 | -84.1 | 172.9 | 0 | 0 | 0 | 112.1 | L490 K491 Y496 Y497 E498 L506 T509 R510 L513 | L490-L494 WeakPolarHBondContact O-CB 3.36Å; L490-L494 WeakPolarHBondContact O-CG 3.4Å; L490-L494 PolarHBondContact O-N 3.25Å; K491-L494 WeakPolarHBondContact O-CB 3.4Å; K491-L494 PolarHBondContact O-N 3.43Å; L494-Y496 VanDerWaalsContact C-N 3.31Å; L494-Y496 PolarHBondContact O-N 3.49Å; L494-Y497 PolarHBondContact O-N 2.93Å; L494-E498 WeakPolarHBondContact O-CB 3.32Å; L494-E498 PolarHBondContact O-N 2.84Å; L494-L506 HydrophobicContact CD2-CG 4.2Å; L494-L506 WeakPolarHBondContact CD2-O 3.25Å; L494-T509 HydrophobicContact CD1-CG2 4.48Å; L494-T509 HydrophobicContact CD2-CG2 3.94Å; L494-T509 HydrophobicContact CG-CG2 3.65Å; L494-R510 HydrophobicContact CD1-CG 4.06Å; L494-R510 HydrophobicContact CD2-CB 4.21Å; L494-R510 HydrophobicContact CD2-CG 3.3Å; L494-R510 HydrophobicContact CG-CG 4.33Å; L494-L513 HydrophobicContact CD1-CB 4.41Å; L494-L513 HydrophobicContact CD1-CD2 3.67Å |
| 495 | D | 87.6 | Confident | 88.2 | Confident | 55 Ų | 55 | 58 Ų | 58 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 179.5 | -175.3 | 52.5 | 0 | 0 | 0 | 111.4 | K118 R436 K491 E492 E498 Q499 | K118-D495 WeakPolarHBondContact CD-OD2 3.42Å; K118-D495 IonicContact NZ-OD2 3.78Å; R436-D495 IonicContact CZ-OD2 3.61Å; R436-D495 IonicContact NH1-OD2 3.76Å; R436-D495 PolarHBondContact NH1-OD2 2.99Å; R436-D495 IonicContact NH2-OD2 3.14Å; R436-D495 PolarHBondContact NH2-OD2 3.35Å; K491-D495 PolarHBondContact O-N 3.43Å; K491-D495 VanDerWaalsContact O-N 3.08Å; E492-D495 PolarHBondContact O-N 3.36Å; D495-E498 PolarHBondContact O-N 3.41Å; D495-Q499 WeakPolarHBondContact O-CB 3.31Å; D495-Q499 PolarHBondContact O-N 3.21Å |
| 496 | Y | 88.8 | Confident | 88.3 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 172.4 | -175.2 | -89 | 0 | 0 | 0 | 112 | V466 L467 L470 E492 L493 L494 E498 Q499 Y500 Y502 | V466-Y496 HydrophobicContact CB-CE2 4.12Å; V466-Y496 HydrophobicContact CG1-CD2 4.12Å; V466-Y496 HydrophobicContact CG1-CE2 3.94Å; L467-Y496 HydrophobicContact CB-CE1 4.06Å; L467-Y496 HydrophobicContact CD1-CD1 4.15Å; L467-Y496 HydrophobicContact CD1-CE1 4.02Å; L467-Y496 HydrophobicContact CD2-CE1 4.41Å; L467-Y496 HydrophobicContact CG-CE1 4.39Å; L470-Y496 HydrophobicContact CD1-CD2 4.27Å; L470-Y496 HydrophobicContact CD1-CG 4.12Å; E492-Y496 WeakPolarHBondContact O-CB 3.18Å; E492-Y496 PolarHBondContact O-N 2.88Å; L493-Y496 PolarHBondContact O-N 3.01Å; L494-Y496 VanDerWaalsContact C-N 3.31Å; L494-Y496 PolarHBondContact O-N 3.49Å; Y496-E498 VanDerWaalsContact C-N 3.32Å; Y496-E498 PolarHBondContact O-N 3.49Å; Y496-Q499 PolarHBondContact O-N 3.46Å; Y496-Y500 HydrophobicContact CD1-CD2 4.33Å; Y496-Y500 AromaticContact CD2-CD2 3.99Å; Y496-Y500 HydrophobicContact CD2-CD2 3.99Å; Y496-Y500 AromaticContact CD2-CE2 3.94Å; Y496-Y500 HydrophobicContact CD2-CE2 3.94Å; Y496-Y500 HydrophobicContact CE1-CD2 4.15Å; Y496-Y500 AromaticContact CE2-CD2 3.79Å; Y496-Y500 HydrophobicContact CE2-CD2 3.79Å; Y496-Y500 AromaticContact CE2-CE2 3.59Å; Y496-Y500 HydrophobicContact CE2-CE2 3.59Å; Y496-Y500 HydrophobicContact CG-CD2 4.25Å; Y496-Y500 AromaticContact CZ-CD2 3.87Å; Y496-Y500 WeakPolarHBondContact O-CD2 3.48Å; Y496-Y500 PolarHBondContact O-N 3.11Å; Y496-Y500 VanDerWaalsContact O-N 3.08Å; Y496-Y502 HydrophobicContact CE1-CD2 4.46Å; Y496-Y502 HydrophobicContact CE1-CE2 4.08Å |
| 497 | Y | 91.9 | Very high | 88.4 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 8% | 0.078 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -34.7 | 179.9 | -66.1 | -40.1 | 0 | 0 | 0 | 112.9 | L467 L493 L494 N501 Y502 E505 T509 | L467-Y497 HydrophobicContact CD1-CE1 3.78Å; L493-Y497 HydrophobicContact CB-CD2 4.47Å; L493-Y497 HydrophobicContact CB-CE2 4.11Å; L493-Y497 HydrophobicContact CD2-CE2 4.11Å; L493-Y497 WeakPolarHBondContact O-CD2 3.29Å; L493-Y497 VanDerWaalsContact O-CG 3.28Å; L493-Y497 PolarHBondContact O-N 2.77Å; L494-Y497 PolarHBondContact O-N 2.93Å; Y497-N501 WeakPolarHBondContact O-CA 3.4Å; Y497-N501 PolarHBondContact O-N 3.3Å; Y497-Y502 AromaticContact CD1-CD2 3.78Å; Y497-Y502 HydrophobicContact CD1-CD2 3.78Å; Y497-Y502 HydrophobicContact CD1-CG 4.09Å; Y497-Y502 HydrophobicContact CE1-CD2 4.48Å; Y497-Y502 PolarHBondContact O-N 2.94Å; Y497-E505 HydrophobicContact CD1-CB 3.97Å; Y497-E505 HydrophobicContact CD2-CB 3.81Å; Y497-E505 HydrophobicContact CE1-CB 3.9Å; Y497-E505 HydrophobicContact CE1-CG 4.24Å; Y497-E505 HydrophobicContact CE2-CB 3.73Å; Y497-E505 HydrophobicContact CG-CB 3.94Å; Y497-T509 WeakPolarHBondContact CE2-OG1 3.09Å |
| 498 | E | 86.5 | Confident | 88.5 | Confident | 111 Ų | 111 | 69.9 Ų | 69.9 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66 | -47.6 | 176.5 | -169 | 158.7 | 170.2 | 0 | 0 | 111 | L494 D495 Y496 Y500 N501 L506 R510 | L494-E498 WeakPolarHBondContact O-CB 3.32Å; L494-E498 PolarHBondContact O-N 2.84Å; D495-E498 PolarHBondContact O-N 3.41Å; Y496-E498 VanDerWaalsContact C-N 3.32Å; Y496-E498 PolarHBondContact O-N 3.49Å; E498-Y500 VanDerWaalsContact C-N 3.33Å; E498-Y500 PolarHBondContact O-N 3.42Å; E498-N501 PolarHBondContact O-N 2.95Å; E498-L506 VanDerWaalsContact CA-CD1 3.41Å; E498-L506 HydrophobicContact CB-CD1 3.48Å; E498-L506 VanDerWaalsContact CB-CD1 3.48Å; E498-L506 HydrophobicContact CG-CD1 4.04Å; E498-R510 IonicContact OE2-NH2 3.27Å; E498-R510 PolarHBondContact OE2-NH2 3.17Å |
| 499 | Q | 82.9 | Confident | 88.6 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | -179.2 | -166.8 | -167.2 | -32.9 | 0 | 0 | 112.7 | D119 L122 D495 Y496 | D119-Q499 PolarHBondContact OD2-NE2 3.49Å; L122-Q499 HydrophobicContact CD1-CG 4.49Å; D495-Q499 WeakPolarHBondContact O-CB 3.31Å; D495-Q499 PolarHBondContact O-N 3.21Å; Y496-Q499 PolarHBondContact O-N 3.46Å |
| 500 | Y | 84.4 | Confident | 88.6 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 5.4 | -179.8 | -71.4 | -87.6 | 0 | 0 | 0 | 113.7 | D119 Y496 E498 Y502 | D119-Y500 PolarHBondContact OD2-OH 3.24Å; Y496-Y500 HydrophobicContact CD1-CD2 4.33Å; Y496-Y500 AromaticContact CD2-CD2 3.99Å; Y496-Y500 HydrophobicContact CD2-CD2 3.99Å; Y496-Y500 AromaticContact CD2-CE2 3.94Å; Y496-Y500 HydrophobicContact CD2-CE2 3.94Å; Y496-Y500 HydrophobicContact CE1-CD2 4.15Å; Y496-Y500 AromaticContact CE2-CD2 3.79Å; Y496-Y500 HydrophobicContact CE2-CD2 3.79Å; Y496-Y500 AromaticContact CE2-CE2 3.59Å; Y496-Y500 HydrophobicContact CE2-CE2 3.59Å; Y496-Y500 HydrophobicContact CG-CD2 4.25Å; Y496-Y500 AromaticContact CZ-CD2 3.87Å; Y496-Y500 WeakPolarHBondContact O-CD2 3.48Å; Y496-Y500 PolarHBondContact O-N 3.11Å; Y496-Y500 VanDerWaalsContact O-N 3.08Å; E498-Y500 VanDerWaalsContact C-N 3.33Å; E498-Y500 PolarHBondContact O-N 3.42Å; Y500-Y502 VanDerWaalsContact CB-CE2 3.46Å; Y500-Y502 HydrophobicContact CG-CE2 4.34Å; Y500-Y502 PolarHBondContact O-N 2.9Å |
| 501 | N | 84.1 | Confident | 88.6 | Confident | 119 Ų | 119 | 77.6 Ų | 77.6 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 34.5 | 173 | -140.3 | -4.2 | 0 | 0 | 0 | 114.6 | Y497 E498 K503 | Y497-N501 WeakPolarHBondContact O-CA 3.4Å; Y497-N501 PolarHBondContact O-N 3.3Å; E498-N501 PolarHBondContact O-N 2.95Å; N501-K503 PolarHBondContact O-N 3.23Å; N501-K503 VanDerWaalsContact O-N 3.16Å |
| 502 | Y | 87.6 | Confident | 88.6 | Confident | 102 Ų | 102 | 75.2 Ų | 75.2 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | trans | -82 | 79.7 | 173.8 | -68 | -64.1 | 0 | 0 | 0 | 110.5 | Y496 Y497 Y500 D504 L506 | Y496-Y502 HydrophobicContact CE1-CD2 4.46Å; Y496-Y502 HydrophobicContact CE1-CE2 4.08Å; Y497-Y502 AromaticContact CD1-CD2 3.78Å; Y497-Y502 HydrophobicContact CD1-CD2 3.78Å; Y497-Y502 HydrophobicContact CD1-CG 4.09Å; Y497-Y502 HydrophobicContact CE1-CD2 4.48Å; Y497-Y502 PolarHBondContact O-N 2.94Å; Y500-Y502 VanDerWaalsContact CB-CE2 3.46Å; Y500-Y502 HydrophobicContact CG-CE2 4.34Å; Y500-Y502 PolarHBondContact O-N 2.9Å; Y502-D504 PolarHBondContact O-N 3.49Å; Y502-L506 WeakPolarHBondContact O-CB 3.3Å; Y502-L506 PolarHBondContact O-N 3.48Å | ||
| 503 | K | 87.1 | Confident | 88.5 | Confident | 147 Ų | 147 | 75 Ų | 75 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | -167.9 | -67.8 | -173.4 | 176.9 | -175.6 | 0 | 114.7 | N501 L506 Q507 | N501-K503 PolarHBondContact O-N 3.23Å; N501-K503 VanDerWaalsContact O-N 3.16Å; K503-L506 PolarHBondContact O-N 3.06Å; K503-Q507 PolarHBondContact O-N 2.76Å |
| 504 | D | 87 | Confident | 88.3 | Confident | 131 Ų | 131 | 80.3 Ų | 80.3 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.5 | -45.9 | -175.2 | -65.7 | -17.3 | 0 | 0 | 0 | 110.4 | Y502 Q507 K508 | Y502-D504 PolarHBondContact O-N 3.49Å; D504-Q507 PolarHBondContact O-N 3.16Å; D504-K508 PolarHBondContact O-N 2.94Å; D504-K508 VanDerWaalsContact O-N 3.11Å |
| 505 | E | 89.9 | Confident | 88.1 | Confident | 83 Ų | 83 | 84.9 Ų | 84.9 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 174.3 | -66.6 | 77 | -174.1 | 0 | 0 | 111 | Y497 Q507 K508 T509 | Y497-E505 HydrophobicContact CD1-CB 3.97Å; Y497-E505 HydrophobicContact CD2-CB 3.81Å; Y497-E505 HydrophobicContact CE1-CB 3.9Å; Y497-E505 HydrophobicContact CE1-CG 4.24Å; Y497-E505 HydrophobicContact CE2-CB 3.73Å; Y497-E505 HydrophobicContact CG-CB 3.94Å; E505-Q507 PolarHBondContact O-N 2.75Å; E505-K508 PolarHBondContact O-N 2.81Å; E505-T509 WeakPolarHBondContact O-CB 3.36Å; E505-T509 PolarHBondContact O-N 2.82Å; E505-T509 PolarHBondContact O-OG1 3.32Å |
| 506 | L | 86.6 | Confident | 87.9 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57 | -47.7 | 177 | -179.3 | 136.3 | 0 | 0 | 0 | 111.8 | L494 E498 Y502 K503 K508 T509 R510 | L494-L506 HydrophobicContact CD2-CG 4.2Å; L494-L506 WeakPolarHBondContact CD2-O 3.25Å; E498-L506 VanDerWaalsContact CA-CD1 3.41Å; E498-L506 HydrophobicContact CB-CD1 3.48Å; E498-L506 VanDerWaalsContact CB-CD1 3.48Å; E498-L506 HydrophobicContact CG-CD1 4.04Å; Y502-L506 WeakPolarHBondContact O-CB 3.3Å; Y502-L506 PolarHBondContact O-N 3.48Å; K503-L506 PolarHBondContact O-N 3.06Å; L506-K508 PolarHBondContact O-N 2.86Å; L506-T509 PolarHBondContact O-N 2.98Å; L506-R510 WeakPolarHBondContact O-CB 3.43Å; L506-R510 WeakPolarHBondContact O-CG 3.44Å; L506-R510 PolarHBondContact O-N 3.17Å |
| 507 | Q | 89.1 | Confident | 87.4 | Confident | 122 Ų | 122 | 86.6 Ų | 86.6 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 178.8 | -173.1 | 172.4 | -0.5 | 0 | 0 | 111.7 | K503 D504 E505 R510 Q511 | K503-Q507 PolarHBondContact O-N 2.76Å; D504-Q507 PolarHBondContact O-N 3.16Å; E505-Q507 PolarHBondContact O-N 2.75Å; Q507-R510 PolarHBondContact O-N 3.21Å; Q507-Q511 WeakPolarHBondContact O-CG 3.4Å; Q507-Q511 PolarHBondContact O-N 3.48Å |
| 508 | K | 90.5 | Very high | 86.7 | Confident | 145 Ų | 145 | 91 Ų | 91 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 177.5 | -174.4 | -179.8 | 178.4 | -177.3 | 0 | 112.1 | D504 E505 L506 R510 Q511 E512 | D504-K508 PolarHBondContact O-N 2.94Å; D504-K508 VanDerWaalsContact O-N 3.11Å; E505-K508 PolarHBondContact O-N 2.81Å; L506-K508 PolarHBondContact O-N 2.86Å; K508-R510 VanDerWaalsContact C-N 3.32Å; K508-R510 PolarHBondContact O-N 2.83Å; K508-Q511 PolarHBondContact O-N 2.8Å; K508-E512 PolarHBondContact O-N 3.31Å |
| 509 | T | 90.3 | Very high | 85.9 | Confident | 11 Ų | 11 | 89 Ų | 89 | 7% | 0.067 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.5 | -33.6 | 178.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | L490 L493 L494 Y497 E505 L506 E512 L513 | L490-T509 HydrophobicContact CB-CG2 4.29Å; L490-T509 HydrophobicContact CD2-CG2 3.57Å; L493-T509 HydrophobicContact CB-CG2 4.08Å; L494-T509 HydrophobicContact CD1-CG2 4.48Å; L494-T509 HydrophobicContact CD2-CG2 3.94Å; L494-T509 HydrophobicContact CG-CG2 3.65Å; Y497-T509 WeakPolarHBondContact CE2-OG1 3.09Å; E505-T509 WeakPolarHBondContact O-CB 3.36Å; E505-T509 PolarHBondContact O-N 2.82Å; E505-T509 PolarHBondContact O-OG1 3.32Å; L506-T509 PolarHBondContact O-N 2.98Å; T509-E512 PolarHBondContact O-N 2.83Å; T509-L513 WeakPolarHBondContact O-CB 3.33Å; T509-L513 PolarHBondContact O-N 2.77Å |
| 510 | R | 91.4 | Very high | 84.9 | Confident | 119 Ų | 119 | 88.7 Ų | 88.7 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 173.9 | -75.6 | -170.4 | -173.7 | -141.1 | 0.1 | 110.8 | L494 E498 L506 Q507 K508 E512 L513 E514 | L494-R510 HydrophobicContact CD1-CG 4.06Å; L494-R510 HydrophobicContact CD2-CB 4.21Å; L494-R510 HydrophobicContact CD2-CG 3.3Å; L494-R510 HydrophobicContact CG-CG 4.33Å; E498-R510 IonicContact OE2-NH2 3.27Å; E498-R510 PolarHBondContact OE2-NH2 3.17Å; L506-R510 WeakPolarHBondContact O-CB 3.43Å; L506-R510 WeakPolarHBondContact O-CG 3.44Å; L506-R510 PolarHBondContact O-N 3.17Å; Q507-R510 PolarHBondContact O-N 3.21Å; K508-R510 VanDerWaalsContact C-N 3.32Å; K508-R510 PolarHBondContact O-N 2.83Å; R510-E512 PolarHBondContact O-N 2.9Å; R510-L513 PolarHBondContact O-N 3.33Å; R510-E514 WeakPolarHBondContact O-CB 3.47Å; R510-E514 PolarHBondContact O-N 2.92Å |
| 511 | Q | 91.2 | Very high | 83.4 | Confident | 99 Ų | 99 | 89.5 Ų | 89.5 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.7 | -72.7 | 174.7 | -10.4 | 0 | 0 | 112 | Q507 K508 E514 Q515 | Q507-Q511 WeakPolarHBondContact O-CG 3.4Å; Q507-Q511 PolarHBondContact O-N 3.48Å; K508-Q511 PolarHBondContact O-N 2.8Å; Q511-E514 PolarHBondContact O-N 2.81Å; Q511-Q515 WeakPolarHBondContact O-CB 3.46Å; Q511-Q515 VanDerWaalsContact O-CG 3.27Å; Q511-Q515 WeakPolarHBondContact O-CG 3.4Å; Q511-Q515 PolarHBondContact O-N 3.03Å |
| 512 | E | 90.7 | Very high | 81.8 | Confident | 42 Ų | 42 | 86 Ų | 86 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67 | -40.3 | 178.3 | -169.7 | 170.6 | -173.7 | 0 | 0 | 112.2 | Y474 K478 L490 K508 T509 R510 E514 Q515 I516 | Y474-E512 PolarHBondContact OH-OE1 3.25Å; Y474-E512 PolarHBondContact OH-OE2 3.03Å; K478-E512 IonicContact NZ-OE1 3.88Å; K478-E512 PolarHBondContact NZ-OE1 3.32Å; L490-E512 HydrophobicContact CD1-CG 4.16Å; K508-E512 PolarHBondContact O-N 3.31Å; T509-E512 PolarHBondContact O-N 2.83Å; R510-E512 PolarHBondContact O-N 2.9Å; E512-E514 VanDerWaalsContact C-N 3.31Å; E512-E514 PolarHBondContact O-N 2.75Å; E512-Q515 PolarHBondContact O-N 3.03Å; E512-I516 HydrophobicContact CG-CD1 4.43Å; E512-I516 WeakPolarHBondContact O-CG1 3.46Å; E512-I516 PolarHBondContact O-N 3.05Å |
| 513 | L | 88.3 | Confident | 79.7 | Confident | 22 Ų | 22 | 87.2 Ų | 87.2 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 174.2 | -174.4 | 72.2 | 0 | 0 | 0 | 111.4 | A487 L490 K491 L494 T509 R510 I516 K517 | A487-L513 HydrophobicContact CB-CD1 4.1Å; L490-L513 HydrophobicContact CB-CD1 3.91Å; L490-L513 HydrophobicContact CD1-CB 4.47Å; L490-L513 HydrophobicContact CD1-CD1 4.3Å; K491-L513 HydrophobicContact CG-CD1 4.42Å; K491-L513 HydrophobicContact CG-CD2 4.3Å; L494-L513 HydrophobicContact CD1-CB 4.41Å; L494-L513 HydrophobicContact CD1-CD2 3.67Å; T509-L513 WeakPolarHBondContact O-CB 3.33Å; T509-L513 PolarHBondContact O-N 2.77Å; R510-L513 PolarHBondContact O-N 3.33Å; L513-I516 PolarHBondContact O-N 2.88Å; L513-K517 WeakPolarHBondContact O-CG 3.39Å; L513-K517 PolarHBondContact O-N 2.8Å |
| 514 | E | 88.5 | Confident | 77.8 | Confident | 117 Ų | 117 | 84.8 Ų | 84.8 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 178.3 | -163.9 | 164.3 | -156.1 | 0 | 0 | 111.9 | R510 Q511 E512 I516 K517 Q518 | R510-E514 WeakPolarHBondContact O-CB 3.47Å; R510-E514 PolarHBondContact O-N 2.92Å; Q511-E514 PolarHBondContact O-N 2.81Å; E512-E514 VanDerWaalsContact C-N 3.31Å; E512-E514 PolarHBondContact O-N 2.75Å; E514-I516 VanDerWaalsContact C-N 3.35Å; E514-I516 PolarHBondContact O-N 3.15Å; E514-K517 PolarHBondContact O-N 2.63Å; E514-Q518 WeakPolarHBondContact O-CB 3.44Å; E514-Q518 VanDerWaalsContact O-CG 3.27Å; E514-Q518 WeakPolarHBondContact O-CG 3.17Å; E514-Q518 PolarHBondContact O-N 3.19Å |
| 515 | Q | 86.6 | Confident | 75.5 | Confident | 115 Ų | 115 | 81 Ų | 81 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 170.9 | -76.3 | 173.1 | 5.7 | 0 | 0 | 111.7 | Q511 E512 Q518 T519 | Q511-Q515 WeakPolarHBondContact O-CB 3.46Å; Q511-Q515 VanDerWaalsContact O-CG 3.27Å; Q511-Q515 WeakPolarHBondContact O-CG 3.4Å; Q511-Q515 PolarHBondContact O-N 3.03Å; E512-Q515 PolarHBondContact O-N 3.03Å; Q515-Q518 PolarHBondContact O-N 2.97Å; Q515-T519 WeakPolarHBondContact O-CG2 3.19Å; Q515-T519 PolarHBondContact O-N 3.22Å; Q515-T519 PolarHBondContact O-OG1 3.32Å |
| 516 | I | 82.8 | Confident | 72.9 | Confident | 24 Ų | 24 | 84.8 Ų | 84.8 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 178 | -72.5 | 173.5 | 0 | 0 | 0 | 111 | V483 I486 L490 E512 L513 E514 Q518 T519 C520 | V483-I516 HydrophobicContact CG1-CG2 3.32Å; I486-I516 HydrophobicContact CB-CD1 4.47Å; I486-I516 HydrophobicContact CG2-CD1 3.47Å; I486-I516 VanDerWaalsContact CG2-CD1 3.47Å; L490-I516 HydrophobicContact CD1-CD1 3.43Å; L490-I516 VanDerWaalsContact CD1-CD1 3.43Å; E512-I516 HydrophobicContact CG-CD1 4.43Å; E512-I516 WeakPolarHBondContact O-CG1 3.46Å; E512-I516 PolarHBondContact O-N 3.05Å; L513-I516 PolarHBondContact O-N 2.88Å; E514-I516 VanDerWaalsContact C-N 3.35Å; E514-I516 PolarHBondContact O-N 3.15Å; I516-Q518 VanDerWaalsContact C-N 3.32Å; I516-Q518 PolarHBondContact O-N 2.94Å; I516-T519 VanDerWaalsContact CA-OG1 3.29Å; I516-T519 WeakPolarHBondContact CA-OG1 3.46Å; I516-T519 PolarHBondContact O-N 2.94Å; I516-T519 PolarHBondContact O-OG1 3.46Å; I516-C520 PolarHBondContact O-N 3.04Å |
| 517 | K | 78.4 | Confident | 70.1 | Confident | 91 Ų | 91 | 89.6 Ų | 89.6 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 173.7 | -74.8 | -173 | 175.6 | -155.7 | 0 | 111.2 | L513 E514 T519 C520 D521 D671 | L513-K517 WeakPolarHBondContact O-CG 3.39Å; L513-K517 PolarHBondContact O-N 2.8Å; E514-K517 PolarHBondContact O-N 2.63Å; K517-T519 PolarHBondContact O-N 2.9Å; K517-C520 WeakPolarHBondContact O-CB 3.5Å; K517-C520 PolarHBondContact O-N 3.41Å; K517-D521 PolarHBondContact O-N 2.86Å; K517-D671 IonicContact NZ-OD1 2.84Å; K517-D671 IonicContact NZ-OD2 2.66Å |
| 518 | Q | 76.5 | Confident | 67.2 | Low | 114 Ų | 114 | 87.3 Ų | 87.3 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 175.9 | -71.5 | 172.7 | 10.7 | 0 | 0 | 112.9 | E514 Q515 I516 D521 A522 | E514-Q518 WeakPolarHBondContact O-CB 3.44Å; E514-Q518 VanDerWaalsContact O-CG 3.27Å; E514-Q518 WeakPolarHBondContact O-CG 3.17Å; E514-Q518 PolarHBondContact O-N 3.19Å; Q515-Q518 PolarHBondContact O-N 2.97Å; I516-Q518 VanDerWaalsContact C-N 3.32Å; I516-Q518 PolarHBondContact O-N 2.94Å; Q518-D521 PolarHBondContact O-N 3.1Å; Q518-A522 VanDerWaalsContact O-CB 3.25Å; Q518-A522 WeakPolarHBondContact O-CB 3.33Å; Q518-A522 PolarHBondContact O-N 3.36Å |
| 519 | T | 70 | Confident | 64.2 | Low | 68 Ų | 68 | 89 Ų | 89 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.4 | -33.5 | 176.1 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | Q515 I516 K517 D521 A522 Q523 | Q515-T519 WeakPolarHBondContact O-CG2 3.19Å; Q515-T519 PolarHBondContact O-N 3.22Å; Q515-T519 PolarHBondContact O-OG1 3.32Å; I516-T519 VanDerWaalsContact CA-OG1 3.29Å; I516-T519 WeakPolarHBondContact CA-OG1 3.46Å; I516-T519 PolarHBondContact O-N 2.94Å; I516-T519 PolarHBondContact O-OG1 3.46Å; K517-T519 PolarHBondContact O-N 2.9Å; T519-D521 VanDerWaalsContact C-N 3.33Å; T519-A522 PolarHBondContact O-N 3.43Å; T519-Q523 VanDerWaalsContact O-CB 3.27Å; T519-Q523 WeakPolarHBondContact O-CB 3.37Å; T519-Q523 VanDerWaalsContact O-CG 3.3Å; T519-Q523 WeakPolarHBondContact O-CG 3.32Å; T519-Q523 PolarHBondContact O-N 2.92Å |
| 520 | C | 62 | Low | 61.3 | Low | 59 Ų | 59 | 95.2 Ų | 95.2 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 170.4 | -79.2 | 0 | 0 | 0 | 0 | 111.3 | V483 I516 K517 | V483-C520 WeakPolarHBondContact CG1-SG 3.33Å; I516-C520 PolarHBondContact O-N 3.04Å; K517-C520 WeakPolarHBondContact O-CB 3.5Å; K517-C520 PolarHBondContact O-N 3.41Å |
| 521 | D | 52.8 | Low | 58.2 | Low | 118 Ų | 118 | 97.2 Ų | 97.2 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.5 | -39 | 176.6 | -65.3 | -25.4 | 0 | 0 | 0 | 111.4 | K517 Q518 T519 S524 | K517-D521 PolarHBondContact O-N 2.86Å; Q518-D521 PolarHBondContact O-N 3.1Å; T519-D521 VanDerWaalsContact C-N 3.33Å; D521-S524 PolarHBondContact O-OG 3.16Å |
| 522 | A | 50.6 | Low | 55.1 | Low | 45 Ų | 45 | 101 Ų | 101 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -81.2 | -29.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q518 T519 S524 S525 | Q518-A522 VanDerWaalsContact O-CB 3.25Å; Q518-A522 WeakPolarHBondContact O-CB 3.33Å; Q518-A522 PolarHBondContact O-N 3.36Å; T519-A522 PolarHBondContact O-N 3.43Å; A522-S524 PolarHBondContact O-N 3Å; A522-S525 PolarHBondContact O-N 3.08Å; A522-S525 PolarHBondContact O-OG 3.01Å |
| 523 | Q | 43.7 | Very low | 51.9 | Low | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.1 | -19.4 | 173.8 | -78.8 | -176.6 | -12.3 | 0 | 0 | 111.9 | T519 S525 | T519-Q523 VanDerWaalsContact O-CB 3.27Å; T519-Q523 WeakPolarHBondContact O-CB 3.37Å; T519-Q523 VanDerWaalsContact O-CG 3.3Å; T519-Q523 WeakPolarHBondContact O-CG 3.32Å; T519-Q523 PolarHBondContact O-N 2.92Å; Q523-S525 PolarHBondContact O-N 2.79Å |
| 524 | S | 47.1 | Very low | 48.9 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -10.5 | 166.6 | 84.7 | 0 | 0 | 0 | 0 | 113.7 | D521 A522 | D521-S524 PolarHBondContact O-OG 3.16Å; A522-S524 PolarHBondContact O-N 3Å |
| 525 | S | 39.1 | Very low | 46 | Very low | 52 Ų | 52 | 114.6 Ų | 114.6 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -118.2 | -3.4 | -173.4 | 67.3 | 0 | 0 | 0 | 0 | 117 | A522 Q523 Y783 | A522-S525 PolarHBondContact O-N 3.08Å; A522-S525 PolarHBondContact O-OG 3.01Å; Q523-S525 PolarHBondContact O-N 2.79Å; S525-Y783 PolarHBondContact O-OH 3.25Å |
| 526 | H | 33.8 | Very low | 43 | Very low | 162 Ų | 162 | 117.4 Ų | 117.4 | 75% | 0.75 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -131.8 | 17.7 | -170.6 | -81.2 | -52.1 | 0 | 0 | 0 | 117.9 | ||
| 527 | Q | 28.9 | Very low | 40.3 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | trans | -115.8 | 71.3 | 168.9 | -72.9 | -172.1 | -16.8 | 0 | 0 | 111.4 | ||||
| 528 | E | 27.5 | Very low | 37.8 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 35% | 0.346 | 65% | 0.653 | S | S | . | * | trans | -140.7 | 89.3 | 156.3 | -86.9 | -168.4 | 164.5 | 0 | 0 | 107.1 | Y783 S784 | E528-Y783 HydrophobicContact CB-CD1 4.45Å; E528-Y783 HydrophobicContact CB-CE1 3.86Å; E528-Y783 HydrophobicContact CG-CD1 3.52Å; E528-Y783 HydrophobicContact CG-CE1 3.39Å; E528-Y783 HydrophobicContact CG-CG 4.42Å; E528-Y783 WeakPolarHBondContact OE1-CA 3.41Å; E528-Y783 WeakPolarHBondContact OE1-CD1 3.35Å; E528-Y783 WeakPolarHBondContact OE2-CD1 3.45Å; E528-Y783 WeakPolarHBondContact OE2-CE1 3.28Å; E528-S784 PolarHBondContact OE1-N 2.8Å; E528-S784 PolarHBondContact OE1-OG 2.96Å | ||
| 529 | E | 28.7 | Very low | 35.4 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 166.6 | 125.3 | 145.7 | -92.6 | 170.2 | -166.4 | 0 | 0 | 109.3 | ||
| 530 | N | 28 | Very low | 33.3 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | 84.7 | 89.9 | 173 | -47.6 | -38.4 | 0 | 0 | 0 | 116.5 | ||||
| 531 | N | 27.1 | Very low | 31.5 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | 177.2 | 101.5 | 102.3 | -82.2 | -17.9 | 0 | 0 | 0 | 109.4 | |||||
| 532 | E | 25.3 | Very low | 30.3 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | trans | -72.5 | 152.8 | 152 | -69.2 | 178.5 | 160.7 | 0 | 0 | 108.5 | ||||
| 533 | Q | 24 | Very low | 29.1 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 99.2 | 126.7 | 161.6 | -103.5 | 148 | -34.5 | 0 | 0 | 120.2 | ||||
| 534 | E | 25.3 | Very low | 28.3 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | 82.3 | 126.4 | 157.7 | -61.9 | 175.5 | -172.9 | 0 | 0 | 115.9 | ||||
| 535 | D | 26.9 | Very low | 27.3 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | cis | -158.1 | 126.8 | -1.6 | -83.2 | -40.8 | 0 | 0 | 0 | 106.1 | ||||
| 536 | E | 24.7 | Very low | 26.8 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | 17.8 | 134.9 | 114.8 | -69.6 | -172.1 | 176.2 | 0 | 0 | 117.8 | |||||
| 537 | D | 25.7 | Very low | 26.3 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 82.7 | 99.4 | 160.6 | -52.9 | -25.5 | 0 | 0 | 0 | 118.9 | ||||
| 538 | E | 25.6 | Very low | 26.1 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | -167.6 | 103.8 | 104.2 | -98.7 | -171.4 | -172.2 | 0 | 0 | 110.5 | V540 | E538-V540 PolarHBondContact O-N 2.83Å; E538-V540 VanDerWaalsContact O-N 3.14Å | |||
| 539 | E | 25.8 | Very low | 26 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -64.3 | 99 | 169.4 | -69.4 | -178.6 | 145.9 | 0 | 0 | 110.5 | ||||
| 540 | V | 26.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 145 Ų | 145 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -92 | 102.4 | 162.9 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | E538 D542 | E538-V540 PolarHBondContact O-N 2.83Å; E538-V540 VanDerWaalsContact O-N 3.14Å; V540-D542 PolarHBondContact O-N 3.23Å | ||
| 541 | G | 25.4 | Very low | 26 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -60.2 | 112.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S543 | G541-S543 PolarHBondContact O-N 3.02Š| ||
| 542 | D | 26.9 | Very low | 26.2 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -83.3 | 103.8 | 172.8 | -150 | 6.7 | 0 | 0 | 0 | 108.7 | V540 D544 R792 | V540-D542 PolarHBondContact O-N 3.23Å; D542-D544 PolarHBondContact O-N 3.04Å; D542-R792 IonicContact OD2-NH2 3Å | ||
| 543 | S | 24.8 | Very low | 26.8 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -91 | 65.6 | -175.9 | 64.8 | 0 | 0 | 0 | 0 | 112 | G541 K545 | G541-S543 PolarHBondContact O-N 3.02Å; S543-K545 PolarHBondContact O-N 3.24Å | ||
| 544 | D | 28 | Very low | 27.5 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -88.5 | 77.8 | 167.9 | -96.2 | -18.7 | 0 | 0 | 0 | 110.5 | D542 | D542-D544 PolarHBondContact O-N 3.04Š| ||
| 545 | K | 26.8 | Very low | 28.3 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | trans | -102.3 | 95.3 | 160.5 | -75.4 | -175.4 | 178.8 | 176.7 | 0 | 107.7 | S543 | S543-K545 PolarHBondContact O-N 3.24Š| ||
| 546 | N | 27.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -175 | 33.2 | 151.7 | -91.7 | -16 | 0 | 0 | 0 | 115.2 | S548 | N546-S548 PolarHBondContact O-N 2.93Š| ||
| 547 | T | 24.3 | Very low | 30.1 | Very low | 144 Ų | 144 | 118.6 Ų | 118.6 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | trans | -86 | 66.2 | 149.6 | 30.3 | 0 | 0 | 0 | 0 | 108.5 | S549 | T547-S549 PolarHBondContact O-N 3.46Å; T547-S549 VanDerWaalsContact O-N 3.15Å | ||
| 548 | S | 24.2 | Very low | 31.1 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | trans | -66.6 | 114 | 163.5 | 58.9 | 0 | 0 | 0 | 0 | 107 | N546 I550 | N546-S548 PolarHBondContact O-N 2.93Å; S548-I550 PolarHBondContact O-N 2.92Å | ||
| 549 | S | 25.3 | Very low | 32 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 83% | 0.825 | 65% | 0.653 | S | S | * | * | trans | -53.1 | 84.2 | 165.6 | 45.6 | 0 | 0 | 0 | 0 | 110 | T547 S551 | T547-S549 PolarHBondContact O-N 3.46Å; T547-S549 VanDerWaalsContact O-N 3.15Å; S549-S551 PolarHBondContact O-N 3.08Å | ||
| 550 | I | 27 | Very low | 33 | Very low | 150 Ų | 150 | 106.5 Ų | 106.5 | 77% | 0.769 | 62% | 0.616 | S | S | * | * | trans | -74.6 | 107.3 | 166.4 | -83 | 167.2 | 0 | 0 | 0 | 105.4 | S548 | S548-I550 PolarHBondContact O-N 2.92Š| ||
| 551 | S | 29.4 | Very low | 33.8 | Very low | 82 Ų | 82 | 101.6 Ų | 101.6 | 57% | 0.573 | 59% | 0.585 | S | S | * | * | trans | -38.2 | 133.6 | -173.3 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | S549 D553 | S549-S551 PolarHBondContact O-N 3.08Å; S551-D553 PolarHBondContact O-N 3.32Å | ||
| 552 | D | 32.5 | Very low | 34.9 | Very low | 131 Ų | 131 | 105.1 Ų | 105.1 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | trans | -54.8 | 90.6 | 158.9 | -76.4 | -50.1 | 0 | 0 | 0 | 109.2 | R309 E554 | R309-D552 IonicContact NH2-OD1 2.97Å; D552-E554 PolarHBondContact O-N 2.94Å | ||
| 553 | D | 37.8 | Very low | 35.9 | Very low | 100 Ų | 100 | 104.3 Ų | 104.3 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | trans | -74.3 | 56.9 | 177.3 | -116.6 | 2.4 | 0 | 0 | 0 | 109.6 | S551 T555 G556 V557 | S551-D553 PolarHBondContact O-N 3.32Å; D553-T555 PolarHBondContact O-N 3.27Å; D553-T555 VanDerWaalsContact O-N 3.16Å; D553-G556 WeakPolarHBondContact O-CA 3.29Å; D553-G556 PolarHBondContact O-N 3.31Å; D553-V557 PolarHBondContact O-N 3.49Å; D553-V557 VanDerWaalsContact O-N 3.08Å | ||
| 554 | E | 38.4 | Very low | 36.4 | Very low | 108 Ų | 108 | 99.7 Ų | 99.7 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -52.1 | -33.9 | 170.3 | -80.9 | -154.3 | 132.7 | 0 | 0 | 110.4 | R305 D552 V557 I558 | R305-E554 IonicContact NH2-OE1 3.46Å; R305-E554 PolarHBondContact NH2-OE1 2.96Å; D552-E554 PolarHBondContact O-N 2.94Å; E554-V557 PolarHBondContact O-N 3.15Å; E554-I558 WeakPolarHBondContact O-CB 3.4Å; E554-I558 WeakPolarHBondContact O-CD1 3.35Å; E554-I558 WeakPolarHBondContact O-CG1 3.12Å; E554-I558 PolarHBondContact O-N 3.34Å |
| 555 | T | 40.7 | Very low | 36.9 | Very low | 101 Ų | 101 | 97.4 Ų | 97.4 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 175 | -23.5 | 0 | 0 | 0 | 0 | 111.8 | D553 I558 Q559 | D553-T555 PolarHBondContact O-N 3.27Å; D553-T555 VanDerWaalsContact O-N 3.16Å; T555-I558 PolarHBondContact O-N 3.33Å; T555-Q559 VanDerWaalsContact O-CB 3.25Å; T555-Q559 WeakPolarHBondContact O-CB 3.44Å; T555-Q559 PolarHBondContact O-N 2.81Å |
| 556 | G | 46.5 | Very low | 37.2 | Very low | 22 Ų | 22 | 93.9 Ų | 93.9 | 23% | 0.227 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | D553 F560 | D553-G556 WeakPolarHBondContact O-CA 3.29Å; D553-G556 PolarHBondContact O-N 3.31Å; G556-F560 WeakPolarHBondContact O-CB 3.25Å; G556-F560 PolarHBondContact O-N 2.97Å |
| 557 | V | 44.4 | Very low | 37.8 | Very low | 25 Ų | 25 | 90.5 Ų | 90.5 | 15% | 0.152 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 176.6 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | F308 D553 E554 L561 | F308-V557 HydrophobicContact CD1-CG2 4.03Å; F308-V557 HydrophobicContact CE1-CG2 4.28Å; F308-V557 HydrophobicContact CG-CG2 4.44Å; D553-V557 PolarHBondContact O-N 3.49Å; D553-V557 VanDerWaalsContact O-N 3.08Å; E554-V557 PolarHBondContact O-N 3.15Å; V557-L561 HydrophobicContact CG1-CD1 4.03Å; V557-L561 HydrophobicContact CG1-CG 4.43Å; V557-L561 WeakPolarHBondContact O-CB 3.38Å; V557-L561 VanDerWaalsContact O-CG 3.24Å; V557-L561 WeakPolarHBondContact O-CG 3.3Å; V557-L561 PolarHBondContact O-N 2.84Å |
| 558 | I | 46.6 | Very low | 38.7 | Very low | 100 Ų | 100 | 87.4 Ų | 87.4 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -49.2 | 177.8 | -69.1 | 166.4 | 0 | 0 | 0 | 110.7 | E554 T555 F560 L561 E562 | E554-I558 WeakPolarHBondContact O-CB 3.4Å; E554-I558 WeakPolarHBondContact O-CD1 3.35Å; E554-I558 WeakPolarHBondContact O-CG1 3.12Å; E554-I558 PolarHBondContact O-N 3.34Å; T555-I558 PolarHBondContact O-N 3.33Å; I558-F560 VanDerWaalsContact C-N 3.28Å; I558-F560 PolarHBondContact O-N 2.93Å; I558-L561 PolarHBondContact O-N 3.3Å; I558-E562 PolarHBondContact O-N 3.49Å |
| 559 | Q | 44.7 | Very low | 39.6 | Very low | 137 Ų | 137 | 91.4 Ų | 91.4 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -34.6 | -179.2 | -160.6 | 172.5 | 22 | 0 | 0 | 111.6 | T555 | T555-Q559 VanDerWaalsContact O-CB 3.25Å; T555-Q559 WeakPolarHBondContact O-CB 3.44Å; T555-Q559 PolarHBondContact O-N 2.81Å |
| 560 | F | 46 | Very low | 40.5 | Very low | 37 Ų | 37 | 86.7 Ų | 86.7 | 16% | 0.162 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -72.3 | -38.1 | 174.2 | -170.9 | -101.6 | 0 | 0 | 0 | 112.7 | M283 F308 M311 G556 I558 E562 T563 L564 | M283-F560 HydrophobicContact CE-CE1 3.69Å; M283-F560 HydrophobicContact CE-CZ 4.42Å; M283-F560 HydrophobicContact SD-CE1 4.3Å; F308-F560 HydrophobicContact CD2-CD1 4.36Å; F308-F560 HydrophobicContact CE2-CD1 4.43Å; F308-F560 HydrophobicContact CE2-CG 4.41Å; M311-F560 HydrophobicContact CE-CZ 4.27Å; G556-F560 WeakPolarHBondContact O-CB 3.25Å; G556-F560 PolarHBondContact O-N 2.97Å; I558-F560 VanDerWaalsContact C-N 3.28Å; I558-F560 PolarHBondContact O-N 2.93Å; F560-E562 PolarHBondContact O-N 3.37Å; F560-T563 PolarHBondContact O-N 2.83Å; F560-T563 PolarHBondContact O-OG1 3.36Å; F560-L564 HydrophobicContact CD1-CD1 3.98Å; F560-L564 HydrophobicContact CD1-CG 4.3Å; F560-L564 HydrophobicContact CE1-CD1 3.87Å; F560-L564 HydrophobicContact CE1-CD2 3.85Å; F560-L564 HydrophobicContact CE1-CG 4.11Å; F560-L564 HydrophobicContact CZ-CD2 4.09Å |
| 561 | L | 43.8 | Very low | 41.4 | Very low | 32 Ų | 32 | 83.6 Ų | 83.6 | 17% | 0.168 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -59.5 | -34.1 | 177 | -83.2 | 169.2 | 0 | 0 | 0 | 112.5 | R287 I304 V557 I558 T563 L564 | R287-L561 PolarHBondContact NH1-O 3.47Å; I304-L561 HydrophobicContact CD1-CD2 4.49Å; I304-L561 HydrophobicContact CG2-CD2 4.09Å; V557-L561 HydrophobicContact CG1-CD1 4.03Å; V557-L561 HydrophobicContact CG1-CG 4.43Å; V557-L561 WeakPolarHBondContact O-CB 3.38Å; V557-L561 VanDerWaalsContact O-CG 3.24Å; V557-L561 WeakPolarHBondContact O-CG 3.3Å; V557-L561 PolarHBondContact O-N 2.84Å; I558-L561 PolarHBondContact O-N 3.3Å; L561-T563 VanDerWaalsContact C-N 3.31Å; L561-T563 PolarHBondContact O-N 2.99Å; L561-L564 HydrophobicContact CD2-CD1 4.46Å |
| 562 | E | 48.4 | Very low | 42.2 | Very low | 146 Ų | 146 | 86.5 Ų | 86.5 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.6 | -31.4 | 175 | -69.5 | -177.8 | 169.1 | 0 | 0 | 112.6 | I558 F560 L564 | I558-E562 PolarHBondContact O-N 3.49Å; F560-E562 PolarHBondContact O-N 3.37Å; E562-L564 PolarHBondContact O-N 2.95Å |
| 563 | T | 47.4 | Very low | 42.6 | Very low | 101 Ų | 101 | 82 Ų | 82 | 62% | 0.62 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -80.3 | -7.8 | -176.2 | 58.6 | 0 | 0 | 0 | 0 | 116.1 | F560 L561 S565 | F560-T563 PolarHBondContact O-N 2.83Å; F560-T563 PolarHBondContact O-OG1 3.36Å; L561-T563 VanDerWaalsContact C-N 3.31Å; L561-T563 PolarHBondContact O-N 2.99Å; T563-S565 VanDerWaalsContact C-N 3.35Å; T563-S565 PolarHBondContact O-N 3.11Å |
| 564 | L | 35.9 | Very low | 42.9 | Very low | 13 Ų | 13 | 77.4 Ų | 77.4 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.3 | -169.4 | -71.4 | 171.2 | 0 | 0 | 0 | 116.3 | R280 K284 F560 L561 E562 S566 | R280-L564 HydrophobicContact CG-CD2 3.5Å; R280-L564 VanDerWaalsContact CG-CD2 3.5Å; K284-L564 WeakPolarHBondContact CE-O 3.49Å; K284-L564 HydrophobicContact CG-CB 4.3Å; K284-L564 PolarHBondContact NZ-O 2.88Å; F560-L564 HydrophobicContact CD1-CD1 3.98Å; F560-L564 HydrophobicContact CD1-CG 4.3Å; F560-L564 HydrophobicContact CE1-CD1 3.87Å; F560-L564 HydrophobicContact CE1-CD2 3.85Å; F560-L564 HydrophobicContact CE1-CG 4.11Å; F560-L564 HydrophobicContact CZ-CD2 4.09Å; L561-L564 HydrophobicContact CD2-CD1 4.46Å; E562-L564 PolarHBondContact O-N 2.95Å; L564-S566 PolarHBondContact O-N 3.25Å |
| 565 | S | 36.9 | Very low | 43 | Very low | 85 Ų | 85 | 73.7 Ų | 73.7 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | trans | -87.5 | 29.1 | -156.9 | -165 | 0 | 0 | 0 | 0 | 119.1 | T563 | T563-S565 VanDerWaalsContact C-N 3.35Å; T563-S565 PolarHBondContact O-N 3.11Å | ||
| 566 | S | 34.5 | Very low | 42.5 | Very low | 107 Ų | 107 | 74.5 Ų | 74.5 | 75% | 0.748 | 41% | 0.414 | S | S | * | . | trans | -141.4 | 26.6 | -175.1 | 92 | 0 | 0 | 0 | 0 | 120.4 | L564 | L564-S566 PolarHBondContact O-N 3.25Š| ||
| 567 | D | 38.4 | Very low | 41.7 | Very low | 82 Ų | 82 | 77.9 Ų | 77.9 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | trans | -104 | 100.3 | 174.1 | -80.7 | -33 | 0 | 0 | 0 | 112.4 | K284 E569 L570 | K284-D567 IonicContact NZ-OD2 4Å; K284-D567 PolarHBondContact NZ-OD2 2.92Å; D567-E569 VanDerWaalsContact C-N 3.29Å; D567-E569 PolarHBondContact O-N 3.24Å; D567-L570 PolarHBondContact O-N 3.09Å | ||
| 568 | S | 44.9 | Very low | 40.9 | Very low | 79 Ų | 79 | 84.8 Ų | 84.8 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60 | -31 | -178.5 | 178.1 | 0 | 0 | 0 | 0 | 114.1 | Q572 | S568-Q572 PolarHBondContact O-N 3.44Å; S568-Q572 VanDerWaalsContact O-N 3.12Å |
| 569 | E | 42.5 | Very low | 39.9 | Very low | 163 Ų | 163 | 87.6 Ų | 87.6 | 76% | 0.762 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.8 | -34.4 | -177.1 | -67 | -177.5 | 172.2 | 0 | 0 | 112.9 | D567 C573 | D567-E569 VanDerWaalsContact C-N 3.29Å; D567-E569 PolarHBondContact O-N 3.24Å; E569-C573 PolarHBondContact O-N 3.26Å |
| 570 | L | 44.5 | Very low | 38.9 | Very low | 20 Ų | 20 | 89.6 Ų | 89.6 | 11% | 0.105 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -75.6 | -35.5 | 179.2 | -167.5 | 68.2 | 0 | 0 | 0 | 111.3 | K284 V285 D567 C573 I574 | K284-L570 HydrophobicContact CB-CD2 3.44Å; K284-L570 VanDerWaalsContact CB-CD2 3.44Å; K284-L570 HydrophobicContact CD-CD2 3.84Å; K284-L570 HydrophobicContact CG-CD2 4.28Å; V285-L570 HydrophobicContact CG2-CD1 3.98Å; V285-L570 HydrophobicContact CG2-CD2 4.13Å; V285-L570 HydrophobicContact CG2-CG 4.35Å; D567-L570 PolarHBondContact O-N 3.09Å; L570-C573 PolarHBondContact O-N 2.92Å; L570-I574 HydrophobicContact CD1-CD1 4.46Å; L570-I574 HydrophobicContact CG-CD1 4.19Å; L570-I574 WeakPolarHBondContact O-CG1 3.14Å; L570-I574 PolarHBondContact O-N 3.48Å |
| 571 | E | 45.7 | Very low | 38.1 | Very low | 84 Ų | 84 | 94.7 Ų | 94.7 | 39% | 0.393 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 175.8 | -69.2 | 178.8 | 176.5 | 0 | 0 | 111.6 | C573 I574 G575 | E571-C573 VanDerWaalsContact C-N 3.33Å; E571-C573 PolarHBondContact O-N 3.03Å; E571-I574 PolarHBondContact O-N 3Å; E571-I574 VanDerWaalsContact O-N 3.15Å; E571-G575 PolarHBondContact O-N 3.24Å |
| 572 | Q | 46 | Very low | 37.2 | Very low | 143 Ų | 143 | 102.5 Ų | 102.5 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.1 | -39.3 | 174.8 | -85.1 | -176.8 | -3.2 | 0 | 0 | 113.1 | S568 I574 | S568-Q572 PolarHBondContact O-N 3.44Å; S568-Q572 VanDerWaalsContact O-N 3.12Å; Q572-I574 VanDerWaalsContact C-N 3.26Å; Q572-I574 PolarHBondContact O-N 3.11Å |
| 573 | C | 39.8 | Very low | 36.1 | Very low | 36 Ų | 36 | 105.5 Ų | 105.5 | 24% | 0.243 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -69.5 | -21.5 | 178.3 | -72.1 | 0 | 0 | 0 | 0 | 113.6 | E569 L570 E571 | E569-C573 PolarHBondContact O-N 3.26Å; L570-C573 PolarHBondContact O-N 2.92Å; E571-C573 VanDerWaalsContact C-N 3.33Å; E571-C573 PolarHBondContact O-N 3.03Å |
| 574 | I | 44.7 | Very low | 34.9 | Very low | 5 Ų | 5 | 109.3 Ų | 109.3 | 3% | 0.026 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -105 | -20.4 | -173.8 | -62.4 | 170.3 | 0 | 0 | 0 | 111.4 | K266 V285 L288 L570 E571 Q572 | K266-I574 HydrophobicContact CD-CG2 4.23Å; K266-I574 PolarHBondContact NZ-O 3.32Å; V285-I574 HydrophobicContact CB-CD1 4.24Å; V285-I574 HydrophobicContact CG1-CD1 4Å; V285-I574 HydrophobicContact CG2-CD1 3.92Å; L288-I574 HydrophobicContact CB-CG2 4Å; L288-I574 HydrophobicContact CD1-CB 4.03Å; L288-I574 HydrophobicContact CD1-CD1 3.46Å; L288-I574 VanDerWaalsContact CD1-CD1 3.46Å; L288-I574 HydrophobicContact CD1-CG1 4.32Å; L288-I574 HydrophobicContact CD1-CG2 3.87Å; L288-I574 HydrophobicContact CG-CG2 4.48Å; L570-I574 HydrophobicContact CD1-CD1 4.46Å; L570-I574 HydrophobicContact CG-CD1 4.19Å; L570-I574 WeakPolarHBondContact O-CG1 3.14Å; L570-I574 PolarHBondContact O-N 3.48Å; E571-I574 PolarHBondContact O-N 3Å; E571-I574 VanDerWaalsContact O-N 3.15Å; Q572-I574 VanDerWaalsContact C-N 3.26Å; Q572-I574 PolarHBondContact O-N 3.11Å |
| 575 | G | 40.2 | Very low | 34.5 | Very low | 30 Ų | 30 | 115.4 Ų | 115.4 | 31% | 0.309 | 62% | 0.616 | S | S | . | * | trans | 87.4 | 126.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | E571 | E571-G575 PolarHBondContact O-N 3.24Š| ||
| 576 | N | 30 | Very low | 34 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | trans | -54 | 139.2 | -178.5 | -69.3 | -4.9 | 0 | 0 | 0 | 112.8 | E578 | N576-E578 PolarHBondContact O-N 2.9Š| ||
| 577 | A | 30.4 | Very low | 33.6 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -73.5 | 44.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 578 | E | 27.3 | Very low | 32.9 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 80% | 0.799 | 66% | 0.659 | S | S | * | * | trans | -118.5 | 94.7 | 176.7 | -73.3 | -177.4 | 170.2 | 0 | 0 | 110.2 | N576 | N576-E578 PolarHBondContact O-N 2.9Š| ||
| 579 | L | 25.5 | Very low | 31.9 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | trans | 166.9 | 76 | 145.6 | -96.3 | 147.4 | 0 | 0 | 0 | 109.1 | ||||
| 580 | M | 25 | Very low | 31.1 | Very low | 179 Ų | 179 | 126.8 Ų | 126.8 | 88% | 0.882 | 67% | 0.665 | S | S | * | * | trans | -78.7 | 108.2 | 148.5 | -74.9 | -103.1 | -67.1 | 0 | 0 | 105.8 | ||||
| 581 | D | 27.7 | Very low | 30.1 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | trans | 148.4 | 77.7 | 155.1 | -79.2 | -14.5 | 0 | 0 | 0 | 110.3 | ||||
| 582 | E | 26.3 | Very low | 29.1 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | trans | -154.8 | 66.8 | 155.8 | -111.4 | 175 | -151.1 | 0 | 0 | 108.5 | ||||
| 583 | F | 24.1 | Very low | 28.2 | Very low | 209 Ų | 209 | 131.4 Ų | 131.4 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | trans | -94.1 | 105.1 | 160.2 | -97.2 | -87.9 | 0 | 0 | 0 | 107.8 | ||||
| 584 | Q | 23.1 | Very low | 27.7 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | trans | -177.2 | 119.3 | 137.5 | -103.6 | 166.8 | 5.7 | 0 | 0 | 112 | ||||
| 585 | D | 28 | Very low | 27 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | 47.7 | 114.5 | 149.3 | -68 | -28.9 | 0 | 0 | 0 | 120.4 | ||||
| 586 | T | 26.7 | Very low | 26.7 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | -165.1 | 99.3 | 114.3 | 31.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 587 | M | 24.5 | Very low | 27.1 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | trans | -61.2 | 124.5 | 162.3 | -70.6 | -90.7 | -107.3 | 0 | 0 | 110.3 | ||||
| 588 | K | 23.8 | Very low | 27.6 | Very low | 214 Ų | 214 | 124.8 Ų | 124.8 | 93% | 0.93 | 65% | 0.648 | S | S | * | * | trans | 177.4 | 121.1 | 141.7 | -97 | 155.8 | -168.9 | -176.8 | 0 | 112.8 | ||||
| 589 | G | 24.6 | Very low | 28.4 | Very low | 80 Ų | 80 | 120.8 Ų | 120.8 | 83% | 0.825 | 63% | 0.628 | S | S | * | * | trans | 103.2 | 65.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 590 | K | 25.1 | Very low | 29.4 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | trans | -88.4 | 124.4 | 167.7 | -85.4 | -178.6 | 171.2 | -174.9 | 0 | 110.6 | ||||
| 591 | K | 24.9 | Very low | 30.7 | Very low | 200 Ų | 200 | 111.4 Ų | 111.4 | 87% | 0.87 | 59% | 0.585 | S | S | * | * | trans | -108.5 | 126.7 | 165.6 | -81.3 | -177.8 | 177.6 | 173.9 | 0 | 109.1 | ||||
| 592 | S | 24.5 | Very low | 31 | Very low | 108 Ų | 108 | 111 Ų | 111 | 76% | 0.755 | 58% | 0.58 | S | S | * | * | trans | -41.5 | 128.7 | -179 | 158.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 593 | G | 26.1 | Very low | 32.4 | Very low | 36 Ų | 36 | 108 Ų | 108 | 37% | 0.371 | 56% | 0.564 | S | S | . | * | trans | -115.3 | 92.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 594 | K | 28.5 | Very low | 34.3 | Very low | 68 Ų | 68 | 98.9 Ų | 98.9 | 30% | 0.296 | 53% | 0.529 | S | S | . | . | trans | 5.6 | 110.4 | 154.9 | -56 | 179.3 | -179.2 | 177.8 | 0 | 119.4 | V104 V159 | V104-K594 HydrophobicContact CG1-CD 4.37Å; V159-K594 HydrophobicContact CG1-CD 3.87Å | ||
| 595 | A | 30.6 | Very low | 36.9 | Very low | 9 Ų | 9 | 90.9 Ų | 90.9 | 7% | 0.074 | 49% | 0.492 | C | S | . | . | trans | -58.4 | 146 | 165.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | G628 | A595-G628 CarbonylContact C-O 3.5Å; A595-G628 WeakPolarHBondContact CA-O 3.37Å; A595-G628 WeakPolarHBondContact CB-O 3.38Å | ||
| 596 | L | 35.1 | Very low | 39.3 | Very low | 10 Ų | 10 | 84.2 Ų | 84.2 | 5% | 0.052 | 46% | 0.456 | C | S | . | . | trans | 179.3 | 108.2 | 162.2 | -96.2 | 162.6 | 0 | 0 | 0 | 119.1 | L111 N163 H166 L627 G628 | L111-L596 HydrophobicContact CB-CD2 4.28Å; L111-L596 HydrophobicContact CD2-CD1 3.66Å; L111-L596 HydrophobicContact CD2-CD2 3.09Å; L111-L596 HydrophobicContact CD2-CG 3.95Å; L111-L596 HydrophobicContact CG-CD2 3.41Å; L111-L596 VanDerWaalsContact CG-CD2 3.41Å; N163-L596 WeakPolarHBondContact OD1-CD1 2.84Å; H166-L596 HydrophobicContact CB-CD1 3.84Å; L596-L627 CarbonylContact C-O 3.34Å; L596-L627 WeakPolarHBondContact CA-O 3.49Å; L596-L627 PolarHBondContact N-O 2.78Å; L596-G628 PolarHBondContact N-O 2.91Å; L596-G628 VanDerWaalsContact N-O 3.16Å | ||
| 597 | C | 36.4 | Very low | 41.6 | Very low | 40 Ų | 40 | 79.1 Ų | 79.1 | 27% | 0.27 | 43% | 0.426 | S | S | . | . | trans | 158 | 117 | 133.4 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | R169 L627 | R169-C597 PolarHBondContact NH2-SG 2.95Å; C597-L627 PolarHBondContact N-O 3.43Å | ||
| 598 | L | 42.5 | Very low | 44.4 | Very low | 14 Ų | 14 | 70.9 Ų | 70.9 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | trans | -135.8 | 116.2 | -176.3 | -35.8 | 145.7 | 0 | 0 | 0 | 110.8 | E115 H629 P630 | E115-L598 HydrophobicContact CG-CB 4.42Å; E115-L598 WeakPolarHBondContact OE1-CB 3.02Å; E115-L598 WeakPolarHBondContact OE1-CD1 3.18Å; E115-L598 VanDerWaalsContact OE1-CG 3.22Å; E115-L598 WeakPolarHBondContact OE1-CG 3.46Å; E115-L598 PolarHBondContact OE1-N 2.94Å; E115-L598 VanDerWaalsContact OE2-CB 3.28Å; E115-L598 WeakPolarHBondContact OE2-CB 3.49Å; E115-L598 WeakPolarHBondContact OE2-CD1 3.22Å; E115-L598 WeakPolarHBondContact OE2-CG 3.29Å; L598-H629 HydrophobicContact CD2-CB 3.68Å; L598-H629 WeakPolarHBondContact CD2-CD2 3.38Å; L598-H629 WeakPolarHBondContact CD2-CE1 3.33Å; L598-H629 WeakPolarHBondContact CD2-ND1 3.27Å; L598-H629 WeakPolarHBondContact CD2-NE2 3.42Å; L598-P630 VanDerWaalsContact CD1-CD 3.45Å; L598-P630 HydrophobicContact CD1-CG 3.16Å; L598-P630 HydrophobicContact CD2-CG 3.94Å; L598-P630 HydrophobicContact CG-CG 4.22Å | ||
| 599 | K | 42.7 | Very low | 47.3 | Very low | 87 Ų | 87 | 60.7 Ų | 60.7 | 38% | 0.378 | 34% | 0.341 | S | S | . | . | trans | -104.1 | 163 | 165.7 | -90.7 | 165.9 | 167.5 | -178.6 | 0 | 108.3 | T396 L397 P607 | T396-K599 WeakPolarHBondContact O-CD 3.34Å; T396-K599 WeakPolarHBondContact O-CE 3.09Å; T396-K599 PolarHBondContact O-NZ 3.42Å; L397-K599 PolarHBondContact O-NZ 3.19Å; K599-P607 WeakPolarHBondContact O-CD 3.25Å | ||
| 600 | T | 47.5 | Very low | 50 | Low | 82 Ų | 82 | 59 Ų | 59 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | trans | -130.9 | 151.9 | 175.6 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | G604 E605 T606 | T600-G604 VanDerWaalsContact CG2-O 3.3Å; T600-G604 WeakPolarHBondContact CG2-O 3.41Å; T600-E605 CarbonylContact C-O 3.49Å; T600-E605 VanDerWaalsContact CA-O 3.27Å; T600-E605 WeakPolarHBondContact CA-O 3.46Å; T600-T606 HydrophobicContact CG2-CG2 3.63Å | ||
| 601 | N | 51 | Low | 52.7 | Low | 59 Ų | 59 | 52.5 Ų | 52.5 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | trans | -88.5 | -173.6 | 175.4 | 74 | 13.5 | 0 | 0 | 0 | 111.9 | K603 G604 E605 | N601-K603 PolarHBondContact O-N 3.27Å; N601-K603 PolarHBondContact OD1-N 2.89Å; N601-G604 WeakPolarHBondContact O-CA 3.14Å; N601-G604 PolarHBondContact O-N 3.26Å; N601-G604 PolarHBondContact OD1-N 3.02Å; N601-E605 PolarHBondContact N-O 2.98Å; N601-E605 PolarHBondContact ND2-OE2 3.32Å; N601-E605 WeakPolarHBondContact OD1-CB 3.49Å; N601-E605 PolarHBondContact OD1-N 3.34Å; N601-E605 VanDerWaalsContact OD1-N 3.08Å | ||
| 602 | M | 35 | Very low | 55.8 | Low | 134 Ų | 134 | 43 Ų | 43 | 66% | 0.66 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.8 | -178.9 | -69.8 | -169.5 | 65.9 | 0 | 0 | 115.3 | E392 G604 | E392-M602 VanDerWaalsContact OE1-CG 3.25Å; E392-M602 WeakPolarHBondContact OE1-CG 3.38Å; M602-G604 PolarHBondContact O-N 3.48Å |
| 603 | K | 56 | Low | 58.9 | Low | 134 Ų | 134 | 39.4 Ų | 39.4 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.3 | 175.7 | -65.5 | 173.5 | 176.3 | -176.7 | 0 | 112.3 | N601 E605 G636 | N601-K603 PolarHBondContact O-N 3.27Å; N601-K603 PolarHBondContact OD1-N 2.89Å; K603-E605 HydrophobicContact CB-CG 3.88Å; K603-E605 HydrophobicContact CD-CG 4.33Å; K603-E605 WeakPolarHBondContact CD-OE1 3.33Å; K603-E605 IonicContact NZ-OE1 2.81Å; K603-E605 PolarHBondContact NZ-OE1 2.8Å; K603-E605 PolarHBondContact O-N 3.48Å; K603-G636 WeakPolarHBondContact O-CA 3.3Å; K603-G636 PolarHBondContact O-N 3.49Å |
| 604 | G | 63.3 | Low | 61.4 | Low | 18 Ų | 18 | 41.9 Ų | 41.9 | 19% | 0.186 | 22% | 0.222 | C | C | . | . | trans | 73.8 | 3.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T600 N601 M602 T606 D635 | T600-G604 VanDerWaalsContact CG2-O 3.3Å; T600-G604 WeakPolarHBondContact CG2-O 3.41Å; N601-G604 WeakPolarHBondContact O-CA 3.14Å; N601-G604 PolarHBondContact O-N 3.26Å; N601-G604 PolarHBondContact OD1-N 3.02Å; M602-G604 PolarHBondContact O-N 3.48Å; G604-T606 PolarHBondContact O-N 3.43Å; G604-D635 WeakPolarHBondContact O-CA 3.08Å | ||
| 605 | E | 77.8 | Confident | 64 | Low | 13 Ų | 13 | 40.2 Ų | 40.2 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -65 | 126.4 | 178.3 | -65.1 | 164 | 179.3 | 0 | 0 | 108.7 | T600 N601 K603 H609 V610 D635 | T600-E605 CarbonylContact C-O 3.49Å; T600-E605 VanDerWaalsContact CA-O 3.27Å; T600-E605 WeakPolarHBondContact CA-O 3.46Å; N601-E605 PolarHBondContact N-O 2.98Å; N601-E605 PolarHBondContact ND2-OE2 3.32Å; N601-E605 WeakPolarHBondContact OD1-CB 3.49Å; N601-E605 PolarHBondContact OD1-N 3.34Å; N601-E605 VanDerWaalsContact OD1-N 3.08Å; K603-E605 HydrophobicContact CB-CG 3.88Å; K603-E605 HydrophobicContact CD-CG 4.33Å; K603-E605 WeakPolarHBondContact CD-OE1 3.33Å; K603-E605 IonicContact NZ-OE1 2.81Å; K603-E605 PolarHBondContact NZ-OE1 2.8Å; K603-E605 PolarHBondContact O-N 3.48Å; E605-H609 HydrophobicContact CB-CB 3.73Å; E605-H609 HydrophobicContact CG-CB 4.1Å; E605-V610 HydrophobicContact CB-CG2 4.22Å; E605-D635 HydrophobicContact CG-CB 4.21Å | ||
| 606 | T | 78.6 | Confident | 66.5 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | trans | -73 | 162.6 | 168.5 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | T600 G604 L608 H609 V610 H629 V633 | T600-T606 HydrophobicContact CG2-CG2 3.63Å; G604-T606 PolarHBondContact O-N 3.43Å; T606-L608 PolarHBondContact O-N 3Å; T606-L608 PolarHBondContact OG1-N 3.46Å; T606-H609 PolarHBondContact N-ND1 3.47Å; T606-H609 VanDerWaalsContact N-ND1 3.2Å; T606-H609 WeakPolarHBondContact O-CB 3.31Å; T606-H609 PolarHBondContact O-N 3.4Å; T606-H609 PolarHBondContact OG1-N 2.93Å; T606-H609 PolarHBondContact OG1-ND1 2.48Å; T606-V610 PolarHBondContact O-N 2.78Å; T606-V610 VanDerWaalsContact O-N 3.15Å; T606-H629 WeakPolarHBondContact CB-NE2 3.07Å; T606-H629 PolarHBondContact OG1-CE1 2.99Å; T606-H629 VanDerWaalsContact OG1-CE1 3.32Å; T606-H629 PolarHBondContact OG1-NE2 3.37Å; T606-V633 HydrophobicContact CG2-CB 3.95Å; T606-V633 HydrophobicContact CG2-CG1 3.59Å | ||
| 607 | P | 74.5 | Confident | 68.9 | Low | 40 Ų | 40 | 42.9 Ų | 42.9 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -49.9 | -29.8 | 170.6 | -29.7 | 29.5 | 0 | 0 | 0 | 113.2 | K599 V610 A611 L623 | K599-P607 WeakPolarHBondContact O-CD 3.25Å; P607-V610 PolarHBondContact O-N 3.01Å; P607-A611 VanDerWaalsContact O-CB 3.28Å; P607-A611 WeakPolarHBondContact O-CB 3.44Å; P607-A611 PolarHBondContact O-N 3.35Å; P607-L623 VanDerWaalsContact C-CD1 3.5Å; P607-L623 HydrophobicContact CB-CD1 3.81Å; P607-L623 HydrophobicContact CB-CD2 3.72Å; P607-L623 HydrophobicContact CB-CG 4.45Å; P607-L623 HydrophobicContact CG-CD2 4.5Å; P607-L623 WeakPolarHBondContact O-CD1 3.14Å |
| 608 | L | 83.6 | Confident | 70.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.4 | -36.5 | 176.7 | -171.2 | 60.8 | 0 | 0 | 0 | 112.9 | T606 A612 V620 L623 I624 H629 P641 L657 | T606-L608 PolarHBondContact O-N 3Å; T606-L608 PolarHBondContact OG1-N 3.46Å; L608-A612 WeakPolarHBondContact O-CB 3.49Å; L608-A612 PolarHBondContact O-N 3.47Å; L608-V620 HydrophobicContact CD1-CB 4.14Å; L608-V620 HydrophobicContact CD1-CG1 3.93Å; L608-V620 HydrophobicContact CD1-CG2 4Å; L608-L623 HydrophobicContact CB-CD1 4.22Å; L608-L623 HydrophobicContact CD1-CB 4.37Å; L608-L623 HydrophobicContact CD1-CD1 4.24Å; L608-I624 HydrophobicContact CD1-CD1 4.01Å; L608-I624 HydrophobicContact CD1-CG1 4.16Å; L608-I624 HydrophobicContact CD2-CD1 4.18Å; L608-I624 HydrophobicContact CD2-CG1 4.21Å; L608-H629 VanDerWaalsContact CB-CE1 3.44Å; L608-H629 WeakPolarHBondContact CB-CE1 3.19Å; L608-H629 WeakPolarHBondContact CB-NE2 3.39Å; L608-P641 HydrophobicContact CB-CG 4.2Å; L608-P641 HydrophobicContact CD2-CB 4.32Å; L608-P641 HydrophobicContact CD2-CG 3.93Å; L608-P641 HydrophobicContact CG-CB 3.95Å; L608-P641 HydrophobicContact CG-CG 3.85Å; L608-L657 HydrophobicContact CD1-CD2 4.19Å; L608-L657 HydrophobicContact CD2-CD2 4.19Å; L608-L657 HydrophobicContact CG-CD2 4.35Å |
| 609 | H | 85.9 | Confident | 72.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -49.8 | 170.5 | -69.7 | 88.5 | 0 | 0 | 0 | 110.6 | E605 T606 A611 A612 I613 V633 W639 L640 P641 E644 | E605-H609 HydrophobicContact CB-CB 3.73Å; E605-H609 HydrophobicContact CG-CB 4.1Å; T606-H609 PolarHBondContact N-ND1 3.47Å; T606-H609 VanDerWaalsContact N-ND1 3.2Å; T606-H609 WeakPolarHBondContact O-CB 3.31Å; T606-H609 PolarHBondContact O-N 3.4Å; T606-H609 PolarHBondContact OG1-N 2.93Å; T606-H609 PolarHBondContact OG1-ND1 2.48Å; H609-A611 VanDerWaalsContact C-N 3.3Å; H609-A611 PolarHBondContact O-N 2.83Å; H609-A612 CarbonylContact O-C 3.44Å; H609-A612 WeakPolarHBondContact O-CA 3.46Å; H609-A612 WeakPolarHBondContact O-CB 3.18Å; H609-A612 PolarHBondContact O-N 2.94Å; H609-I613 WeakPolarHBondContact O-CG1 3.48Å; H609-I613 PolarHBondContact O-N 3.25Å; H609-V633 PolarHBondContact CE1-O 2.82Å; H609-V633 PolarHBondContact NE2-O 2.73Å; H609-W639 PolarHBondContact NE2-O 2.83Å; H609-L640 VanDerWaalsContact NE2-C 3.33Å; H609-P641 WeakPolarHBondContact NE2-CD 3.47Å; H609-E644 HydrophobicContact CB-CG 4.45Å |
| 610 | V | 79.3 | Confident | 73.9 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.5 | -42.2 | -179.7 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | E605 T606 P607 I613 N614 | E605-V610 HydrophobicContact CB-CG2 4.22Å; T606-V610 PolarHBondContact O-N 2.78Å; T606-V610 VanDerWaalsContact O-N 3.15Å; P607-V610 PolarHBondContact O-N 3.01Å; V610-I613 PolarHBondContact O-N 3.26Å; V610-N614 VanDerWaalsContact O-CB 3.29Å; V610-N614 WeakPolarHBondContact O-CB 3.48Å; V610-N614 VanDerWaalsContact O-CG 3.25Å; V610-N614 PolarHBondContact O-N 3.22Å; V610-N614 PolarHBondContact O-ND2 3.15Å; V610-N614 VanDerWaalsContact O-ND2 3.15Å |
| 611 | A | 83.4 | Confident | 75.3 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 5% | 0.05 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P607 H609 N614 G615 D616 H619 V620 L623 | P607-A611 VanDerWaalsContact O-CB 3.28Å; P607-A611 WeakPolarHBondContact O-CB 3.44Å; P607-A611 PolarHBondContact O-N 3.35Å; H609-A611 VanDerWaalsContact C-N 3.3Å; H609-A611 PolarHBondContact O-N 2.83Å; A611-N614 PolarHBondContact O-N 3.5Å; A611-G615 PolarHBondContact O-N 3.16Å; A611-G615 VanDerWaalsContact O-N 3.15Å; A611-D616 PolarHBondContact O-N 3.38Å; A611-H619 HydrophobicContact CB-CB 3.78Å; A611-V620 HydrophobicContact CB-CG2 3.75Å; A611-L623 HydrophobicContact CB-CD1 4.21Å |
| 612 | A | 90.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L608 H609 N614 G615 P641 E644 A645 R650 I653 | L608-A612 WeakPolarHBondContact O-CB 3.49Å; L608-A612 PolarHBondContact O-N 3.47Å; H609-A612 CarbonylContact O-C 3.44Å; H609-A612 WeakPolarHBondContact O-CA 3.46Å; H609-A612 WeakPolarHBondContact O-CB 3.18Å; H609-A612 PolarHBondContact O-N 2.94Å; A612-N614 VanDerWaalsContact C-N 3.32Å; A612-N614 PolarHBondContact O-N 3.38Å; A612-G615 PolarHBondContact O-N 3.42Å; A612-P641 HydrophobicContact CB-CB 4.32Å; A612-P641 WeakPolarHBondContact CB-O 3.4Å; A612-E644 HydrophobicContact CB-CB 4.22Å; A612-A645 HydrophobicContact CB-CB 4.39Å; A612-R650 WeakPolarHBondContact O-CG 3.4Å; A612-I653 HydrophobicContact CB-CG2 4.17Å |
| 613 | I | 88.3 | Confident | 78.2 | Confident | 32 Ų | 32 | 27 Ų | 27 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.9 | -49.2 | 174.8 | -67.2 | 166 | 0 | 0 | 0 | 110.6 | H609 V610 G615 E644 R650 | H609-I613 WeakPolarHBondContact O-CG1 3.48Å; H609-I613 PolarHBondContact O-N 3.25Å; V610-I613 PolarHBondContact O-N 3.26Å; I613-G615 PolarHBondContact O-N 3.44Å; I613-E644 HydrophobicContact CD1-CG 4.1Å; I613-E644 HydrophobicContact CG1-CB 3.76Å; I613-E644 HydrophobicContact CG1-CG 3.78Å; I613-E644 WeakPolarHBondContact CG1-OE2 3.15Å; I613-R650 PolarHBondContact O-NE 3.29Å; I613-R650 PolarHBondContact O-NH2 3.41Å; I613-R650 VanDerWaalsContact O-NH2 3.15Å |
| 614 | N | 79.7 | Confident | 79.2 | Confident | 88 Ų | 88 | 21.6 Ų | 21.6 | 47% | 0.471 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -71.7 | -12.6 | -175.9 | -74.1 | -29.6 | 0 | 0 | 0 | 114.3 | V610 A611 A612 D616 | V610-N614 VanDerWaalsContact O-CB 3.29Å; V610-N614 WeakPolarHBondContact O-CB 3.48Å; V610-N614 VanDerWaalsContact O-CG 3.25Å; V610-N614 PolarHBondContact O-N 3.22Å; V610-N614 PolarHBondContact O-ND2 3.15Å; V610-N614 VanDerWaalsContact O-ND2 3.15Å; A611-N614 PolarHBondContact O-N 3.5Å; A612-N614 VanDerWaalsContact C-N 3.32Å; A612-N614 PolarHBondContact O-N 3.38Å; N614-D616 VanDerWaalsContact C-N 3.28Å; N614-D616 HydrophobicContact CB-CB 4.47Å |
| 615 | G | 83.4 | Confident | 79.8 | Confident | 33 Ų | 33 | 23.3 Ų | 23.3 | 34% | 0.34 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 22.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A611 A612 I613 M617 I653 | A611-G615 PolarHBondContact O-N 3.16Å; A611-G615 VanDerWaalsContact O-N 3.15Å; A612-G615 PolarHBondContact O-N 3.42Å; I613-G615 PolarHBondContact O-N 3.44Å; G615-M617 PolarHBondContact O-N 3Å; G615-I653 VanDerWaalsContact C-CD1 3.4Å; G615-I653 VanDerWaalsContact CA-CD1 3.47Å |
| 616 | D | 82.9 | Confident | 78.7 | Confident | 29 Ų | 29 | 23.2 Ų | 23.2 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | trans | -89 | 82.8 | -176.9 | -169.2 | -9.3 | 0 | 0 | 0 | 112 | Q299 A611 N614 N618 H619 V620 | Q299-D616 WeakPolarHBondContact CG-OD1 3.43Å; Q299-D616 PolarHBondContact NE2-OD1 2.97Å; Q299-D616 PolarHBondContact NE2-OD2 3.44Å; A611-D616 PolarHBondContact O-N 3.38Å; N614-D616 VanDerWaalsContact C-N 3.28Å; N614-D616 HydrophobicContact CB-CB 4.47Å; D616-N618 VanDerWaalsContact C-N 3.25Å; D616-N618 PolarHBondContact O-N 3.39Å; D616-N618 PolarHBondContact OD1-N 3.26Å; D616-H619 HydrophobicContact CB-CB 4.16Å; D616-H619 PolarHBondContact O-N 3.37Å; D616-H619 PolarHBondContact OD1-N 2.93Å; D616-H619 IonicContact OD2-CG 3.57Å; D616-H619 IonicContact OD2-ND1 3.09Å; D616-H619 PolarHBondContact OD2-ND1 3.22Å; D616-H619 VanDerWaalsContact OD2-ND1 3.14Å; D616-V620 WeakPolarHBondContact O-CG2 3.47Å; D616-V620 PolarHBondContact O-N 3.4Å; D616-V620 VanDerWaalsContact O-N 3.1Å | ||
| 617 | M | 84.3 | Confident | 77.6 | Confident | 46 Ų | 46 | 23.9 Ų | 23.9 | 23% | 0.227 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.2 | -35 | -179.4 | -174.8 | 64.4 | -175 | 0 | 0 | 113.6 | G615 V620 V621 I653 Y656 | G615-M617 PolarHBondContact O-N 3Å; M617-V620 WeakPolarHBondContact O-CB 3.41Å; M617-V620 PolarHBondContact O-N 2.75Å; M617-V621 HydrophobicContact CE-CG2 3.93Å; M617-V621 HydrophobicContact CG-CG2 4.46Å; M617-V621 WeakPolarHBondContact O-CB 3.44Å; M617-V621 WeakPolarHBondContact O-CG2 3.5Å; M617-V621 PolarHBondContact O-N 3.19Å; M617-I653 HydrophobicContact CB-CG1 4.34Å; M617-I653 HydrophobicContact SD-CG1 3.88Å; M617-Y656 VanDerWaalsContact CE-CB 3.42Å; M617-Y656 HydrophobicContact CE-CD1 4.02Å; M617-Y656 HydrophobicContact CE-CD2 3.21Å; M617-Y656 HydrophobicContact CE-CE2 3.9Å; M617-Y656 HydrophobicContact CE-CG 3.27Å; M617-Y656 HydrophobicContact SD-CG 4.18Å |
| 618 | N | 71 | Confident | 76.8 | Confident | 24 Ų | 24 | 22.3 Ų | 22.3 | 13% | 0.128 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76.1 | -36 | -177.2 | -54.6 | -54.6 | 0 | 0 | 0 | 111.4 | S296 Q299 D616 V620 V621 K622 | S296-N618 VanDerWaalsContact CA-ND2 3.31Å; S296-N618 WeakPolarHBondContact CA-ND2 3.26Å; S296-N618 VanDerWaalsContact CB-CG 3.5Å; S296-N618 WeakPolarHBondContact CB-ND2 3.24Å; S296-N618 WeakPolarHBondContact CB-OD1 3.3Å; S296-N618 PolarHBondContact OG-ND2 3.13Å; S296-N618 PolarHBondContact OG-OD1 2.84Å; Q299-N618 PolarHBondContact OE1-ND2 3.32Å; D616-N618 VanDerWaalsContact C-N 3.25Å; D616-N618 PolarHBondContact O-N 3.39Å; D616-N618 PolarHBondContact OD1-N 3.26Å; N618-V620 VanDerWaalsContact C-N 3.33Å; N618-V621 PolarHBondContact O-N 3.08Å; N618-K622 WeakPolarHBondContact O-CB 3.41Å; N618-K622 PolarHBondContact O-N 2.75Å |
| 619 | H | 75.7 | Confident | 76.1 | Confident | 33 Ų | 33 | 22.5 Ų | 22.5 | 15% | 0.153 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 170.6 | -110.9 | 111.4 | 0 | 0 | 0 | 111.4 | D345 A611 D616 V621 K622 L623 | D345-H619 IonicContact OD2-CE1 3.9Å; D345-H619 IonicContact OD2-NE2 3.49Å; A611-H619 HydrophobicContact CB-CB 3.78Å; D616-H619 HydrophobicContact CB-CB 4.16Å; D616-H619 PolarHBondContact O-N 3.37Å; D616-H619 PolarHBondContact OD1-N 2.93Å; D616-H619 IonicContact OD2-CG 3.57Å; D616-H619 IonicContact OD2-ND1 3.09Å; D616-H619 PolarHBondContact OD2-ND1 3.22Å; D616-H619 VanDerWaalsContact OD2-ND1 3.14Å; H619-V621 VanDerWaalsContact C-N 3.34Å; H619-V621 PolarHBondContact O-N 2.94Å; H619-K622 PolarHBondContact O-N 2.78Å; H619-L623 VanDerWaalsContact O-CB 3.25Å; H619-L623 WeakPolarHBondContact O-CB 3.46Å; H619-L623 WeakPolarHBondContact O-CD1 3.32Å; H619-L623 WeakPolarHBondContact O-CG 3.42Å; H619-L623 PolarHBondContact O-N 2.77Å |
| 620 | V | 80.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.9 | -50.6 | 173.9 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | L608 A611 D616 M617 N618 L623 I624 I653 Y656 L657 | L608-V620 HydrophobicContact CD1-CB 4.14Å; L608-V620 HydrophobicContact CD1-CG1 3.93Å; L608-V620 HydrophobicContact CD1-CG2 4Å; A611-V620 HydrophobicContact CB-CG2 3.75Å; D616-V620 WeakPolarHBondContact O-CG2 3.47Å; D616-V620 PolarHBondContact O-N 3.4Å; D616-V620 VanDerWaalsContact O-N 3.1Å; M617-V620 WeakPolarHBondContact O-CB 3.41Å; M617-V620 PolarHBondContact O-N 2.75Å; N618-V620 VanDerWaalsContact C-N 3.33Å; V620-L623 PolarHBondContact O-N 2.78Å; V620-I624 HydrophobicContact CG1-CD1 3.86Å; V620-I624 WeakPolarHBondContact O-CB 3.41Å; V620-I624 WeakPolarHBondContact O-CG1 3.44Å; V620-I624 PolarHBondContact O-N 3.44Å; V620-I653 HydrophobicContact CG2-CD1 4.12Å; V620-I653 HydrophobicContact CG2-CG1 4.4Å; V620-I653 HydrophobicContact CG2-CG2 3.99Å; V620-Y656 HydrophobicContact CG1-CD1 3.62Å; V620-Y656 HydrophobicContact CG1-CE1 3.88Å; V620-L657 HydrophobicContact CG1-CD2 4.12Å |
| 621 | V | 77.5 | Confident | 75.1 | Confident | 17 Ų | 17 | 20.9 Ų | 20.9 | 10% | 0.103 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 178.6 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L260 M617 N618 H619 I624 E625 Y656 | L260-V621 HydrophobicContact CD1-CG1 3.6Å; L260-V621 HydrophobicContact CD2-CG1 3.31Å; L260-V621 HydrophobicContact CG-CG1 4.06Å; M617-V621 HydrophobicContact CE-CG2 3.93Å; M617-V621 HydrophobicContact CG-CG2 4.46Å; M617-V621 WeakPolarHBondContact O-CB 3.44Å; M617-V621 WeakPolarHBondContact O-CG2 3.5Å; M617-V621 PolarHBondContact O-N 3.19Å; N618-V621 PolarHBondContact O-N 3.08Å; H619-V621 VanDerWaalsContact C-N 3.34Å; H619-V621 PolarHBondContact O-N 2.94Å; V621-I624 PolarHBondContact O-N 2.96Å; V621-E625 HydrophobicContact CG1-CG 4.4Å; V621-E625 VanDerWaalsContact O-CB 3.32Å; V621-E625 WeakPolarHBondContact O-CB 3.25Å; V621-E625 PolarHBondContact O-N 2.78Å; V621-Y656 HydrophobicContact CG2-CD2 4.48Å; V621-Y656 HydrophobicContact CG2-CE1 3.84Å; V621-Y656 HydrophobicContact CG2-CE2 3.79Å; V621-Y656 VanDerWaalsContact CG2-CZ 3.43Å; V621-Y656 WeakPolarHBondContact CG2-OH 3.5Å |
| 622 | K | 71.7 | Confident | 75.1 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -63.4 | -43.9 | 177.7 | 173.4 | 174.1 | -178.5 | -175.5 | 0 | 111.8 | Y202 N264 E267 N618 H619 V626 L627 | Y202-K622 VanDerWaalsContact CZ-CE 3.49Å; Y202-K622 WeakPolarHBondContact OH-CE 3.33Å; Y202-K622 PolarHBondContact OH-NZ 3.48Å; Y202-K622 VanDerWaalsContact OH-NZ 3.12Å; N264-K622 WeakPolarHBondContact ND2-CG 3.18Å; E267-K622 IonicContact OE2-NZ 3.79Å; N618-K622 WeakPolarHBondContact O-CB 3.41Å; N618-K622 PolarHBondContact O-N 2.75Å; H619-K622 PolarHBondContact O-N 2.78Å; K622-V626 WeakPolarHBondContact O-CA 3.41Å; K622-V626 WeakPolarHBondContact O-CB 3.5Å; K622-V626 PolarHBondContact O-N 3.32Å; K622-V626 VanDerWaalsContact O-N 3.09Å; K622-L627 PolarHBondContact O-N 3.46Å |
| 623 | L | 74.7 | Confident | 74.4 | Confident | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -61.2 | -50 | 176.4 | -72.8 | 164.2 | 0 | 0 | 0 | 109.8 | P607 L608 A611 H619 V620 L627 G628 H629 | P607-L623 VanDerWaalsContact C-CD1 3.5Å; P607-L623 HydrophobicContact CB-CD1 3.81Å; P607-L623 HydrophobicContact CB-CD2 3.72Å; P607-L623 HydrophobicContact CB-CG 4.45Å; P607-L623 HydrophobicContact CG-CD2 4.5Å; P607-L623 WeakPolarHBondContact O-CD1 3.14Å; L608-L623 HydrophobicContact CB-CD1 4.22Å; L608-L623 HydrophobicContact CD1-CB 4.37Å; L608-L623 HydrophobicContact CD1-CD1 4.24Å; A611-L623 HydrophobicContact CB-CD1 4.21Å; H619-L623 VanDerWaalsContact O-CB 3.25Å; H619-L623 WeakPolarHBondContact O-CB 3.46Å; H619-L623 WeakPolarHBondContact O-CD1 3.32Å; H619-L623 WeakPolarHBondContact O-CG 3.42Å; H619-L623 PolarHBondContact O-N 2.77Å; V620-L623 PolarHBondContact O-N 2.78Å; L623-L627 HydrophobicContact CD2-CD1 3.7Å; L623-L627 CarbonylContact O-C 3.58Å; L623-L627 VanDerWaalsContact O-C 3.3Å; L623-L627 WeakPolarHBondContact O-CB 3.46Å; L623-G628 CarbonylContact O-C 3.56Å; L623-G628 VanDerWaalsContact O-CA 3.29Å; L623-G628 WeakPolarHBondContact O-CA 3.12Å; L623-G628 PolarHBondContact O-N 3.14Å; L623-H629 HydrophobicContact CB-CB 3.83Å; L623-H629 VanDerWaalsContact O-CB 3.3Å; L623-H629 WeakPolarHBondContact O-CB 3.41Å; L623-H629 PolarHBondContact O-N 2.97Å |
| 624 | I | 77.3 | Confident | 74.1 | Confident | 22 Ų | 22 | 23.4 Ų | 23.4 | 11% | 0.113 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -78.3 | -37.2 | -174.2 | -65.3 | 170.7 | 0 | 0 | 0 | 113.7 | L608 V620 V621 G628 V631 Y656 L657 H660 | L608-I624 HydrophobicContact CD1-CD1 4.01Å; L608-I624 HydrophobicContact CD1-CG1 4.16Å; L608-I624 HydrophobicContact CD2-CD1 4.18Å; L608-I624 HydrophobicContact CD2-CG1 4.21Å; V620-I624 HydrophobicContact CG1-CD1 3.86Å; V620-I624 WeakPolarHBondContact O-CB 3.41Å; V620-I624 WeakPolarHBondContact O-CG1 3.44Å; V620-I624 PolarHBondContact O-N 3.44Å; V621-I624 PolarHBondContact O-N 2.96Å; I624-G628 WeakPolarHBondContact O-CA 3.4Å; I624-V631 HydrophobicContact CD1-CG2 3.78Å; I624-V631 HydrophobicContact CG1-CG2 4.06Å; I624-V631 HydrophobicContact CG2-CG2 4.34Å; I624-Y656 HydrophobicContact CD1-CD1 4.41Å; I624-Y656 HydrophobicContact CD1-CE1 4.04Å; I624-L657 HydrophobicContact CD1-CD2 3.9Å; I624-H660 HydrophobicContact CD1-CB 4.46Å; I624-H660 HydrophobicContact CG2-CB 4.21Å |
| 625 | E | 75.1 | Confident | 74.1 | Confident | 54 Ų | 54 | 20.1 Ų | 20.1 | 25% | 0.252 | 12% | 0.118 | S | C | . | . | I | π-helix | trans | -95.3 | -30 | -173.7 | -63.3 | -165.9 | -155.2 | 0 | 0 | 113.5 | R199 L260 V621 Y656 | R199-E625 PolarHBondContact NH2-O 3.05Å; L260-E625 HydrophobicContact CD2-CB 3.52Å; L260-E625 HydrophobicContact CD2-CG 3.9Å; L260-E625 WeakPolarHBondContact CD2-OE2 3.36Å; V621-E625 HydrophobicContact CG1-CG 4.4Å; V621-E625 VanDerWaalsContact O-CB 3.32Å; V621-E625 WeakPolarHBondContact O-CB 3.25Å; V621-E625 PolarHBondContact O-N 2.78Å; E625-Y656 WeakPolarHBondContact CG-OH 3.41Å; E625-Y656 PolarHBondContact OE1-OH 2.84Å |
| 626 | V | 54.7 | Low | 73.3 | Confident | 10 Ų | 10 | 21.7 Ų | 21.7 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -107.5 | -48.5 | -171.7 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | L260 L261 N264 K622 G628 | L260-V626 HydrophobicContact CD2-CG2 4.39Å; L261-V626 HydrophobicContact CD2-CB 3.87Å; L261-V626 HydrophobicContact CD2-CG1 3.55Å; L261-V626 HydrophobicContact CD2-CG2 3.36Å; L261-V626 HydrophobicContact CG-CG2 3.97Å; N264-V626 WeakPolarHBondContact ND2-CB 3.33Å; N264-V626 WeakPolarHBondContact ND2-CG2 3.35Å; K622-V626 WeakPolarHBondContact O-CA 3.41Å; K622-V626 WeakPolarHBondContact O-CB 3.5Å; K622-V626 PolarHBondContact O-N 3.32Å; K622-V626 VanDerWaalsContact O-N 3.09Å; V626-G628 VanDerWaalsContact C-N 3.26Å |
| 627 | L | 55.2 | Low | 72.9 | Confident | 15 Ų | 15 | 22.1 Ų | 22.1 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -83.3 | -8.9 | 171.1 | -59.6 | 173.7 | 0 | 0 | 0 | 111.4 | Y202 Q203 L596 C597 K622 L623 H629 | Y202-L627 HydrophobicContact CD1-CD2 4.46Å; Y202-L627 HydrophobicContact CE1-CD2 3.87Å; Q203-L627 VanDerWaalsContact NE2-CD2 3.27Å; L596-L627 CarbonylContact C-O 3.34Å; L596-L627 WeakPolarHBondContact CA-O 3.49Å; L596-L627 PolarHBondContact N-O 2.78Å; C597-L627 PolarHBondContact N-O 3.43Å; K622-L627 PolarHBondContact O-N 3.46Å; L623-L627 HydrophobicContact CD2-CD1 3.7Å; L623-L627 CarbonylContact O-C 3.58Å; L623-L627 VanDerWaalsContact O-C 3.3Å; L623-L627 WeakPolarHBondContact O-CB 3.46Å; L627-H629 PolarHBondContact O-N 3.11Å |
| 628 | G | 58.2 | Low | 72.7 | Confident | 8 Ų | 8 | 20.9 Ų | 20.9 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | trans | 30.1 | 74.7 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A595 L596 L623 I624 V626 P630 | A595-G628 CarbonylContact C-O 3.5Å; A595-G628 WeakPolarHBondContact CA-O 3.37Å; A595-G628 WeakPolarHBondContact CB-O 3.38Å; L596-G628 PolarHBondContact N-O 2.91Å; L596-G628 VanDerWaalsContact N-O 3.16Å; L623-G628 CarbonylContact O-C 3.56Å; L623-G628 VanDerWaalsContact O-CA 3.29Å; L623-G628 WeakPolarHBondContact O-CA 3.12Å; L623-G628 PolarHBondContact O-N 3.14Å; I624-G628 WeakPolarHBondContact O-CA 3.4Å; V626-G628 VanDerWaalsContact C-N 3.26Å; G628-P630 WeakPolarHBondContact O-CD 3.38Å | ||
| 629 | H | 67.9 | Low | 73.7 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | trans | -78.4 | 118.9 | 172.1 | -173.4 | -50.1 | 0 | 0 | 0 | 108.6 | L598 T606 L608 L623 L627 V631 | L598-H629 HydrophobicContact CD2-CB 3.68Å; L598-H629 WeakPolarHBondContact CD2-CD2 3.38Å; L598-H629 WeakPolarHBondContact CD2-CE1 3.33Å; L598-H629 WeakPolarHBondContact CD2-ND1 3.27Å; L598-H629 WeakPolarHBondContact CD2-NE2 3.42Å; T606-H629 WeakPolarHBondContact CB-NE2 3.07Å; T606-H629 PolarHBondContact OG1-CE1 2.99Å; T606-H629 VanDerWaalsContact OG1-CE1 3.32Å; T606-H629 PolarHBondContact OG1-NE2 3.37Å; L608-H629 VanDerWaalsContact CB-CE1 3.44Å; L608-H629 WeakPolarHBondContact CB-CE1 3.19Å; L608-H629 WeakPolarHBondContact CB-NE2 3.39Å; L623-H629 HydrophobicContact CB-CB 3.83Å; L623-H629 VanDerWaalsContact O-CB 3.3Å; L623-H629 WeakPolarHBondContact O-CB 3.41Å; L623-H629 PolarHBondContact O-N 2.97Å; L627-H629 PolarHBondContact O-N 3.11Å; H629-V631 PolarHBondContact O-N 3.33Å | ||
| 630 | P | 67.2 | Low | 74.5 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | trans | -48.2 | 130.6 | 165.8 | 14.6 | -34.8 | 0 | 0 | 0 | 112.1 | L598 G628 V633 | L598-P630 VanDerWaalsContact CD1-CD 3.45Å; L598-P630 HydrophobicContact CD1-CG 3.16Å; L598-P630 HydrophobicContact CD2-CG 3.94Å; L598-P630 HydrophobicContact CG-CG 4.22Å; G628-P630 WeakPolarHBondContact O-CD 3.38Å; P630-V633 HydrophobicContact CB-CG2 3.89Å; P630-V633 HydrophobicContact CG-CG2 3.68Å | ||
| 631 | V | 78.7 | Confident | 75.1 | Confident | 6 Ų | 6 | 20.4 Ų | 20.4 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -27.1 | -170.4 | -180 | 0 | 0 | 0 | 0 | 112.6 | I624 H629 P641 L657 H660 A662 | I624-V631 HydrophobicContact CD1-CG2 3.78Å; I624-V631 HydrophobicContact CG1-CG2 4.06Å; I624-V631 HydrophobicContact CG2-CG2 4.34Å; H629-V631 PolarHBondContact O-N 3.33Å; V631-P641 WeakPolarHBondContact O-CD 3.14Å; V631-L657 HydrophobicContact CG1-CB 4.45Å; V631-L657 HydrophobicContact CG1-CD2 3.88Å; V631-H660 HydrophobicContact CG2-CB 4.02Å; V631-H660 WeakPolarHBondContact CG2-O 3.42Å; V631-A662 HydrophobicContact CG1-CB 3.79Å |
| 632 | N | 83.5 | Confident | 75.9 | Confident | 6 Ų | 6 | 19.7 Ų | 19.7 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 37 | -171.1 | -62.6 | -59.1 | 0 | 0 | 0 | 113.6 | P634 L640 G661 A662 K663 | N632-P634 WeakPolarHBondContact O-CD 3.44Å; N632-L640 HydrophobicContact CB-CD2 4.42Å; N632-G661 PolarHBondContact ND2-O 3Å; N632-A662 VanDerWaalsContact OD1-CA 3.27Å; N632-A662 WeakPolarHBondContact OD1-CA 2.86Å; N632-K663 HydrophobicContact CB-CD 4.44Å; N632-K663 PolarHBondContact OD1-N 2.88Å |
| 633 | V | 75.5 | Confident | 77 | Confident | 19 Ų | 19 | 19.5 Ų | 19.5 | 12% | 0.115 | 13% | 0.131 | C | C | . | . | trans | -78.9 | 126.2 | 171 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | T606 H609 P630 | T606-V633 HydrophobicContact CG2-CB 3.95Å; T606-V633 HydrophobicContact CG2-CG1 3.59Å; H609-V633 PolarHBondContact CE1-O 2.82Å; H609-V633 PolarHBondContact NE2-O 2.73Å; P630-V633 HydrophobicContact CB-CG2 3.89Å; P630-V633 HydrophobicContact CG-CG2 3.68Å | ||
| 634 | P | 80.7 | Confident | 77.9 | Confident | 66 Ų | 66 | 19.9 Ų | 19.9 | 43% | 0.429 | 13% | 0.133 | S | C | . | . | trans | -77.6 | 145.5 | 172.4 | 29.6 | -31.9 | 0 | 0 | 0 | 111.7 | N632 W639 L640 | N632-P634 WeakPolarHBondContact O-CD 3.44Å; P634-W639 CarbonylContact C-O 3.45Å; P634-W639 WeakPolarHBondContact CA-O 3.31Å; P634-L640 HydrophobicContact CB-CD2 4.16Å | ||
| 635 | D | 80.1 | Confident | 78.8 | Confident | 18 Ų | 18 | 18.8 Ų | 18.8 | 10% | 0.096 | 13% | 0.128 | C | C | . | . | trans | -75.7 | -173.5 | 168.1 | 76.3 | -1.2 | 0 | 0 | 0 | 112.2 | G604 E605 A637 G638 W639 | G604-D635 WeakPolarHBondContact O-CA 3.08Å; E605-D635 HydrophobicContact CG-CB 4.21Å; D635-A637 PolarHBondContact O-N 3.36Å; D635-A637 VanDerWaalsContact OD1-CA 3.28Å; D635-A637 WeakPolarHBondContact OD1-CA 3.49Å; D635-A637 WeakPolarHBondContact OD1-CB 3.37Å; D635-A637 PolarHBondContact OD1-N 3.34Å; D635-G638 PolarHBondContact O-N 2.66Å; D635-G638 PolarHBondContact OD1-N 3.05Å; D635-W639 PolarHBondContact N-O 3.3Å; D635-W639 PolarHBondContact OD1-N 3.04Å | ||
| 636 | G | 66.4 | Low | 79.7 | Confident | 66 Ų | 66 | 16.2 Ų | 16.2 | 68% | 0.68 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | K603 | K603-G636 WeakPolarHBondContact O-CA 3.3Å; K603-G636 PolarHBondContact O-N 3.49Å |
| 637 | A | 74.8 | Confident | 81.4 | Confident | 38 Ų | 38 | 18.5 Ų | 18.5 | 31% | 0.314 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D635 W639 Y669 | D635-A637 PolarHBondContact O-N 3.36Å; D635-A637 VanDerWaalsContact OD1-CA 3.28Å; D635-A637 WeakPolarHBondContact OD1-CA 3.49Å; D635-A637 WeakPolarHBondContact OD1-CB 3.37Å; D635-A637 PolarHBondContact OD1-N 3.34Å; A637-W639 PolarHBondContact O-N 2.9Å; A637-Y669 HydrophobicContact CB-CD2 4.3Å; A637-Y669 VanDerWaalsContact O-CA 3.23Å; A637-Y669 WeakPolarHBondContact O-CA 3.46Å; A637-Y669 WeakPolarHBondContact O-CB 3.44Å; A637-Y669 WeakPolarHBondContact O-CD2 3.4Å |
| 638 | G | 81.2 | Confident | 83 | Confident | 20 Ų | 20 | 21 Ų | 21 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 74.2 | 1.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D635 G668 | D635-G638 PolarHBondContact O-N 2.66Å; D635-G638 PolarHBondContact OD1-N 3.05Å; G638-G668 CarbonylContact O-C 3.58Å; G638-G668 VanDerWaalsContact O-CA 3.28Å; G638-G668 WeakPolarHBondContact O-CA 3.39Å |
| 639 | W | 90.9 | Very high | 84.6 | Confident | 44 Ų | 44 | 22.6 Ų | 22.6 | 17% | 0.167 | 14% | 0.143 | C | C | . | . | trans | -69.6 | 149.1 | 174.4 | -82.5 | 20.5 | 0 | 0 | 0 | 110.3 | H609 P634 D635 A637 H643 E644 F647 E679 | H609-W639 PolarHBondContact NE2-O 2.83Å; P634-W639 CarbonylContact C-O 3.45Å; P634-W639 WeakPolarHBondContact CA-O 3.31Å; D635-W639 PolarHBondContact N-O 3.3Å; D635-W639 PolarHBondContact OD1-N 3.04Å; A637-W639 PolarHBondContact O-N 2.9Å; W639-H643 HydrophobicContact CB-CB 4.07Å; W639-H643 HydrophobicContact CD2-CB 3.95Å; W639-H643 HydrophobicContact CE3-CB 4.11Å; W639-H643 HydrophobicContact CG-CB 3.96Å; W639-E644 HydrophobicContact CE3-CG 4.29Å; W639-F647 HydrophobicContact CH2-CB 4.32Å; W639-F647 AromaticContact CH2-CD2 3.81Å; W639-F647 HydrophobicContact CH2-CD2 3.81Å; W639-F647 HydrophobicContact CH2-CE2 4.34Å; W639-F647 HydrophobicContact CH2-CG 4.08Å; W639-F647 HydrophobicContact CZ3-CB 4.18Å; W639-F647 HydrophobicContact CZ3-CD2 4.4Å; W639-F647 HydrophobicContact CZ3-CG 4.21Å; W639-E679 HydrophobicContact CZ2-CG 4.19Å | ||
| 640 | L | 91.9 | Very high | 85.8 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -100.2 | 162.4 | 171.8 | -62.3 | 179.7 | 0 | 0 | 0 | 109 | H609 N632 P634 I642 H643 E644 K663 D666 | H609-L640 VanDerWaalsContact NE2-C 3.33Å; N632-L640 HydrophobicContact CB-CD2 4.42Å; P634-L640 HydrophobicContact CB-CD2 4.16Å; L640-I642 HydrophobicContact CB-CG2 3.93Å; L640-I642 HydrophobicContact CD1-CG2 4.41Å; L640-I642 PolarHBondContact O-N 3.49Å; L640-H643 WeakPolarHBondContact CB-ND1 3.18Å; L640-H643 PolarHBondContact N-ND1 2.9Å; L640-H643 WeakPolarHBondContact O-CA 3.29Å; L640-H643 WeakPolarHBondContact O-CB 3.2Å; L640-H643 PolarHBondContact O-N 3.12Å; L640-E644 PolarHBondContact O-N 2.9Å; L640-K663 HydrophobicContact CD1-CB 3.91Å; L640-K663 HydrophobicContact CD1-CD 4.42Å; L640-D666 HydrophobicContact CD1-CB 3.54Å; L640-D666 HydrophobicContact CG-CB 4.44Å | ||
| 641 | P | 93.2 | Very high | 87 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.4 | -25.6 | 175.4 | -26.2 | 35.1 | 0 | 0 | 0 | 113.8 | L608 H609 A612 V631 E644 A645 L657 | L608-P641 HydrophobicContact CB-CG 4.2Å; L608-P641 HydrophobicContact CD2-CB 4.32Å; L608-P641 HydrophobicContact CD2-CG 3.93Å; L608-P641 HydrophobicContact CG-CB 3.95Å; L608-P641 HydrophobicContact CG-CG 3.85Å; H609-P641 WeakPolarHBondContact NE2-CD 3.47Å; A612-P641 HydrophobicContact CB-CB 4.32Å; A612-P641 WeakPolarHBondContact CB-O 3.4Å; V631-P641 WeakPolarHBondContact O-CD 3.14Å; P641-E644 PolarHBondContact O-N 3.32Å; P641-A645 PolarHBondContact O-N 3.24Å; P641-L657 HydrophobicContact CB-CD1 4.05Å; P641-L657 HydrophobicContact CB-CD2 4.49Å |
| 642 | I | 95.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.4 | -29.8 | 174.4 | -169.8 | 164.7 | 0 | 0 | 0 | 113.4 | L640 E644 A646 L657 L658 A662 L664 P676 F692 | L640-I642 HydrophobicContact CB-CG2 3.93Å; L640-I642 HydrophobicContact CD1-CG2 4.41Å; L640-I642 PolarHBondContact O-N 3.49Å; I642-E644 VanDerWaalsContact C-N 3.34Å; I642-A646 VanDerWaalsContact O-CB 3.24Å; I642-A646 WeakPolarHBondContact O-CB 3.39Å; I642-A646 PolarHBondContact O-N 3.43Å; I642-L657 HydrophobicContact CB-CD1 4.33Å; I642-L658 HydrophobicContact CD1-CD1 4.3Å; I642-L658 HydrophobicContact CD1-CD2 3.46Å; I642-L658 VanDerWaalsContact CD1-CD2 3.46Å; I642-L658 HydrophobicContact CD1-CG 3.6Å; I642-A662 HydrophobicContact CB-CB 3.96Å; I642-A662 HydrophobicContact CD1-CB 3.7Å; I642-A662 HydrophobicContact CG1-CB 4.4Å; I642-A662 HydrophobicContact CG2-CB 4.19Å; I642-L664 HydrophobicContact CD1-CD1 4.4Å; I642-P676 HydrophobicContact CG1-CB 4.44Å; I642-P676 HydrophobicContact CG2-CG 3.96Å; I642-F692 HydrophobicContact CD1-CE1 3.92Å; I642-F692 HydrophobicContact CD1-CZ 3.98Å; I642-F692 HydrophobicContact CG1-CE1 4.1Å; I642-F692 HydrophobicContact CG1-CZ 3.67Å |
| 643 | H | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 171.3 | -67 | 88.6 | 0 | 0 | 0 | 109.8 | W639 L640 A646 F647 D666 G668 P676 | W639-H643 HydrophobicContact CB-CB 4.07Å; W639-H643 HydrophobicContact CD2-CB 3.95Å; W639-H643 HydrophobicContact CE3-CB 4.11Å; W639-H643 HydrophobicContact CG-CB 3.96Å; L640-H643 WeakPolarHBondContact CB-ND1 3.18Å; L640-H643 PolarHBondContact N-ND1 2.9Å; L640-H643 WeakPolarHBondContact O-CA 3.29Å; L640-H643 WeakPolarHBondContact O-CB 3.2Å; L640-H643 PolarHBondContact O-N 3.12Å; H643-A646 WeakPolarHBondContact O-CB 3.43Å; H643-A646 PolarHBondContact O-N 2.86Å; H643-F647 WeakPolarHBondContact O-CB 3.07Å; H643-F647 PolarHBondContact O-N 2.9Å; H643-D666 IonicContact CE1-OD1 2.75Å; H643-D666 PolarHBondContact NE2-O 3.26Å; H643-G668 PolarHBondContact NE2-N 3.46Å; H643-P676 WeakPolarHBondContact NE2-CD 3.32Å |
| 644 | E | 94.2 | Very high | 89 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.2 | -66.1 | -64.9 | -179.7 | 0 | 0 | 112.5 | H609 A612 I613 W639 L640 P641 I642 A646 F647 H648 | H609-E644 HydrophobicContact CB-CG 4.45Å; A612-E644 HydrophobicContact CB-CB 4.22Å; I613-E644 HydrophobicContact CD1-CG 4.1Å; I613-E644 HydrophobicContact CG1-CB 3.76Å; I613-E644 HydrophobicContact CG1-CG 3.78Å; I613-E644 WeakPolarHBondContact CG1-OE2 3.15Å; W639-E644 HydrophobicContact CE3-CG 4.29Å; L640-E644 PolarHBondContact O-N 2.9Å; P641-E644 PolarHBondContact O-N 3.32Å; I642-E644 VanDerWaalsContact C-N 3.34Å; E644-A646 PolarHBondContact O-N 2.88Å; E644-F647 PolarHBondContact O-N 3.26Å; E644-H648 WeakPolarHBondContact O-CB 3.06Å; E644-H648 PolarHBondContact O-CD2 3.45Å; E644-H648 VanDerWaalsContact O-CD2 3.27Å; E644-H648 PolarHBondContact O-N 2.84Å; E644-H648 IonicContact OE2-CD2 2.68Å; E644-H648 IonicContact OE2-NE2 2.97Å |
| 645 | A | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A612 P641 D649 R650 I653 A654 L657 | A612-A645 HydrophobicContact CB-CB 4.39Å; P641-A645 PolarHBondContact O-N 3.24Å; A645-D649 PolarHBondContact O-N 2.87Å; A645-R650 HydrophobicContact CB-CB 4.16Å; A645-R650 PolarHBondContact O-N 3.17Å; A645-I653 HydrophobicContact CB-CG2 4.1Å; A645-A654 HydrophobicContact CB-CB 4.01Å; A645-L657 HydrophobicContact CB-CD1 4.26Å |
| 646 | A | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.6 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I642 H643 E644 H648 D649 P676 A680 A685 T688 F692 | I642-A646 VanDerWaalsContact O-CB 3.24Å; I642-A646 WeakPolarHBondContact O-CB 3.39Å; I642-A646 PolarHBondContact O-N 3.43Å; H643-A646 WeakPolarHBondContact O-CB 3.43Å; H643-A646 PolarHBondContact O-N 2.86Å; E644-A646 PolarHBondContact O-N 2.88Å; A646-H648 VanDerWaalsContact C-N 3.28Å; A646-H648 PolarHBondContact O-N 3.49Å; A646-D649 PolarHBondContact O-N 3.07Å; A646-P676 HydrophobicContact CB-CB 4.02Å; A646-P676 VanDerWaalsContact CB-O 3.26Å; A646-P676 WeakPolarHBondContact CB-O 3.47Å; A646-A680 HydrophobicContact CB-CB 4.23Å; A646-A685 WeakPolarHBondContact O-CB 3.28Å; A646-T688 HydrophobicContact CB-CG2 4.38Å; A646-F692 HydrophobicContact CB-CE2 3.47Å; A646-F692 VanDerWaalsContact CB-CE2 3.47Å; A646-F692 HydrophobicContact CB-CZ 3.85Å |
| 647 | F | 91.7 | Very high | 91.4 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 25% | 0.254 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 177.9 | -172.3 | -94.9 | 0 | 0 | 0 | 110.6 | W639 H643 E644 D649 N683 | W639-F647 HydrophobicContact CH2-CB 4.32Å; W639-F647 AromaticContact CH2-CD2 3.81Å; W639-F647 HydrophobicContact CH2-CD2 3.81Å; W639-F647 HydrophobicContact CH2-CE2 4.34Å; W639-F647 HydrophobicContact CH2-CG 4.08Å; W639-F647 HydrophobicContact CZ3-CB 4.18Å; W639-F647 HydrophobicContact CZ3-CD2 4.4Å; W639-F647 HydrophobicContact CZ3-CG 4.21Å; H643-F647 WeakPolarHBondContact O-CB 3.07Å; H643-F647 PolarHBondContact O-N 2.9Å; E644-F647 PolarHBondContact O-N 3.26Å; F647-D649 PolarHBondContact O-N 3.3Å; F647-N683 HydrophobicContact CD2-CB 4.16Å; F647-N683 HydrophobicContact CE2-CB 4.2Å; F647-N683 PolarHBondContact O-ND2 3.2Å |
| 648 | H | 89.3 | Confident | 92.2 | Very high | 68 Ų | 68 | 28.7 Ų | 28.7 | 32% | 0.315 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 13.3 | -177.3 | -68 | -69 | 0 | 0 | 0 | 115.9 | E644 A646 R650 | E644-H648 WeakPolarHBondContact O-CB 3.06Å; E644-H648 PolarHBondContact O-CD2 3.45Å; E644-H648 VanDerWaalsContact O-CD2 3.27Å; E644-H648 PolarHBondContact O-N 2.84Å; E644-H648 IonicContact OE2-CD2 2.68Å; E644-H648 IonicContact OE2-NE2 2.97Å; A646-H648 VanDerWaalsContact C-N 3.28Å; A646-H648 PolarHBondContact O-N 3.49Å; H648-R650 HydrophobicContact CB-CG 3.83Å; H648-R650 WeakPolarHBondContact O-CD 3.39Å; H648-R650 PolarHBondContact O-N 2.89Å |
| 649 | D | 90.1 | Very high | 92.5 | Very high | 41 Ų | 41 | 31.4 Ų | 31.4 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 37.1 | -173.4 | -155.6 | 26.4 | 0 | 0 | 0 | 114.8 | A645 A646 F647 S651 A685 T687 T688 | A645-D649 PolarHBondContact O-N 2.87Å; A646-D649 PolarHBondContact O-N 3.07Å; F647-D649 PolarHBondContact O-N 3.3Å; D649-S651 PolarHBondContact O-N 3.28Å; D649-A685 HydrophobicContact CB-CB 3.42Å; D649-A685 VanDerWaalsContact CB-CB 3.42Å; D649-A685 WeakPolarHBondContact OD1-CB 3.36Å; D649-T687 WeakPolarHBondContact OD1-CB 3.33Å; D649-T687 PolarHBondContact OD2-OG1 3.08Å; D649-T687 VanDerWaalsContact OD2-OG1 3.06Å; D649-T688 WeakPolarHBondContact CA-OG1 3.49Å; D649-T688 VanDerWaalsContact OD1-CB 3.32Å; D649-T688 WeakPolarHBondContact OD1-CB 3.35Å; D649-T688 PolarHBondContact OD1-N 3.5Å; D649-T688 PolarHBondContact OD1-OG1 2.84Å |
| 650 | R | 93.7 | Very high | 92.2 | Very high | 98 Ų | 98 | 32.1 Ų | 32.1 | 37% | 0.37 | 15% | 0.154 | S | C | . | . | trans | -83 | 61.5 | 178 | -52.1 | -56.7 | -165.7 | -171.4 | -1.4 | 111.1 | A612 I613 A645 H648 E652 I653 A654 | A612-R650 WeakPolarHBondContact O-CG 3.4Å; I613-R650 PolarHBondContact O-NE 3.29Å; I613-R650 PolarHBondContact O-NH2 3.41Å; I613-R650 VanDerWaalsContact O-NH2 3.15Å; A645-R650 HydrophobicContact CB-CB 4.16Å; A645-R650 PolarHBondContact O-N 3.17Å; H648-R650 HydrophobicContact CB-CG 3.83Å; H648-R650 WeakPolarHBondContact O-CD 3.39Å; H648-R650 PolarHBondContact O-N 2.89Å; R650-E652 VanDerWaalsContact C-N 3.32Å; R650-E652 PolarHBondContact O-N 3.28Å; R650-I653 HydrophobicContact CB-CB 4.18Å; R650-I653 HydrophobicContact CB-CD1 4.4Å; R650-I653 PolarHBondContact O-N 2.95Å; R650-A654 PolarHBondContact O-N 2.9Å | ||
| 651 | S | 92.1 | Very high | 91.7 | Very high | 29 Ų | 29 | 32 Ų | 32 | 20% | 0.203 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -48.2 | -43.8 | -174.8 | 51.9 | 0 | 0 | 0 | 0 | 115 | D649 A654 T655 T688 | D649-S651 PolarHBondContact O-N 3.28Å; S651-A654 PolarHBondContact O-N 3.11Å; S651-T655 WeakPolarHBondContact O-CB 3.45Å; S651-T655 PolarHBondContact O-N 2.72Å; S651-T655 PolarHBondContact O-OG1 2.89Å; S651-T688 WeakPolarHBondContact CA-OG1 3.33Å; S651-T688 PolarHBondContact N-OG1 3Å |
| 652 | E | 92.1 | Very high | 91.4 | Very high | 144 Ų | 144 | 32.4 Ų | 32.4 | 67% | 0.673 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -64.5 | -44.7 | 178.5 | -65.6 | 175.9 | 177.8 | 0 | 0 | 112.6 | R650 T655 Y656 | R650-E652 VanDerWaalsContact C-N 3.32Å; R650-E652 PolarHBondContact O-N 3.28Å; E652-T655 WeakPolarHBondContact O-CB 3.29Å; E652-T655 PolarHBondContact O-N 2.8Å; E652-Y656 PolarHBondContact O-N 3.3Å |
| 653 | I | 94.1 | Very high | 91 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 176.2 | -68.3 | 179.3 | 0 | 0 | 0 | 110.1 | A612 G615 M617 V620 A645 R650 T655 Y656 L657 | A612-I653 HydrophobicContact CB-CG2 4.17Å; G615-I653 VanDerWaalsContact C-CD1 3.4Å; G615-I653 VanDerWaalsContact CA-CD1 3.47Å; M617-I653 HydrophobicContact CB-CG1 4.34Å; M617-I653 HydrophobicContact SD-CG1 3.88Å; V620-I653 HydrophobicContact CG2-CD1 4.12Å; V620-I653 HydrophobicContact CG2-CG1 4.4Å; V620-I653 HydrophobicContact CG2-CG2 3.99Å; A645-I653 HydrophobicContact CB-CG2 4.1Å; R650-I653 HydrophobicContact CB-CB 4.18Å; R650-I653 HydrophobicContact CB-CD1 4.4Å; R650-I653 PolarHBondContact O-N 2.95Å; I653-T655 PolarHBondContact O-N 3.39Å; I653-Y656 PolarHBondContact O-N 2.93Å; I653-Y656 VanDerWaalsContact O-N 3.12Å; I653-L657 HydrophobicContact CG2-CD1 3.65Å; I653-L657 HydrophobicContact CG2-CG 3.9Å; I653-L657 WeakPolarHBondContact O-CB 3.45Å; I653-L657 VanDerWaalsContact O-CG 3.26Å; I653-L657 WeakPolarHBondContact O-CG 3.34Å; I653-L657 PolarHBondContact O-N 3.46Å |
| 654 | A | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A645 R650 S651 L658 T688 F692 | A645-A654 HydrophobicContact CB-CB 4.01Å; R650-A654 PolarHBondContact O-N 2.9Å; S651-A654 PolarHBondContact O-N 3.11Å; A654-L658 WeakPolarHBondContact O-CB 3.31Å; A654-L658 VanDerWaalsContact O-CG 3.22Å; A654-L658 WeakPolarHBondContact O-CG 3.27Å; A654-L658 PolarHBondContact O-N 3.19Å; A654-T688 HydrophobicContact CB-CG2 3.7Å; A654-F692 HydrophobicContact CB-CE1 3.8Å; A654-F692 HydrophobicContact CB-CZ 4.05Å |
| 655 | T | 93 | Very high | 90.5 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 22% | 0.221 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 174.5 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | S651 E652 I653 L658 D659 R695 | S651-T655 WeakPolarHBondContact O-CB 3.45Å; S651-T655 PolarHBondContact O-N 2.72Å; S651-T655 PolarHBondContact O-OG1 2.89Å; E652-T655 WeakPolarHBondContact O-CB 3.29Å; E652-T655 PolarHBondContact O-N 2.8Å; I653-T655 PolarHBondContact O-N 3.39Å; T655-L658 PolarHBondContact O-N 2.72Å; T655-D659 PolarHBondContact O-N 3.07Å; T655-R695 PolarHBondContact O-NH1 2.79Å |
| 656 | Y | 90.3 | Very high | 90.3 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.3 | -43.2 | -179.8 | -174 | -93.6 | 0 | 0 | 0 | 112.8 | M617 V620 V621 I624 E625 E652 I653 L658 D659 H660 | M617-Y656 VanDerWaalsContact CE-CB 3.42Å; M617-Y656 HydrophobicContact CE-CD1 4.02Å; M617-Y656 HydrophobicContact CE-CD2 3.21Å; M617-Y656 HydrophobicContact CE-CE2 3.9Å; M617-Y656 HydrophobicContact CE-CG 3.27Å; M617-Y656 HydrophobicContact SD-CG 4.18Å; V620-Y656 HydrophobicContact CG1-CD1 3.62Å; V620-Y656 HydrophobicContact CG1-CE1 3.88Å; V621-Y656 HydrophobicContact CG2-CD2 4.48Å; V621-Y656 HydrophobicContact CG2-CE1 3.84Å; V621-Y656 HydrophobicContact CG2-CE2 3.79Å; V621-Y656 VanDerWaalsContact CG2-CZ 3.43Å; V621-Y656 WeakPolarHBondContact CG2-OH 3.5Å; I624-Y656 HydrophobicContact CD1-CD1 4.41Å; I624-Y656 HydrophobicContact CD1-CE1 4.04Å; E625-Y656 WeakPolarHBondContact CG-OH 3.41Å; E625-Y656 PolarHBondContact OE1-OH 2.84Å; E652-Y656 PolarHBondContact O-N 3.3Å; I653-Y656 PolarHBondContact O-N 2.93Å; I653-Y656 VanDerWaalsContact O-N 3.12Å; Y656-L658 VanDerWaalsContact C-N 3.3Å; Y656-L658 PolarHBondContact O-N 3.28Å; Y656-D659 CarbonylContact O-C 3.54Å; Y656-D659 WeakPolarHBondContact O-CB 3.23Å; Y656-D659 PolarHBondContact O-N 2.97Å; Y656-D659 VanDerWaalsContact O-N 3.12Å; Y656-H660 AromaticContact CD1-CE1 4Å; Y656-H660 AromaticContact CD1-ND1 3.66Å; Y656-H660 AromaticContact CD2-CE1 3.64Å; Y656-H660 AromaticContact CD2-ND1 3.91Å; Y656-H660 AromaticContact CE1-CE1 3.56Å; Y656-H660 AromaticContact CE1-ND1 3.54Å; Y656-H660 AromaticContact CE2-CE1 3.17Å; Y656-H660 WeakPolarHBondContact CE2-CE1 3.34Å; Y656-H660 AromaticContact CE2-ND1 3.82Å; Y656-H660 AromaticContact CE2-NE2 3.97Å; Y656-H660 AromaticContact CG-ND1 3.85Å; Y656-H660 AromaticContact CZ-CE1 3.12Å; Y656-H660 AromaticContact CZ-ND1 3.62Å; Y656-H660 AromaticContact CZ-NE2 3.59Å; Y656-H660 PolarHBondContact O-N 3.37Å; Y656-H660 PolarHBondContact O-ND1 3.08Å; Y656-H660 PolarHBondContact OH-NE2 3.24Å |
| 657 | L | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 174.5 | -72.7 | 176 | 0 | 0 | 0 | 110.6 | L608 V620 I624 V631 P641 I642 A645 I653 H660 G661 A662 | L608-L657 HydrophobicContact CD1-CD2 4.19Å; L608-L657 HydrophobicContact CD2-CD2 4.19Å; L608-L657 HydrophobicContact CG-CD2 4.35Å; V620-L657 HydrophobicContact CG1-CD2 4.12Å; I624-L657 HydrophobicContact CD1-CD2 3.9Å; V631-L657 HydrophobicContact CG1-CB 4.45Å; V631-L657 HydrophobicContact CG1-CD2 3.88Å; P641-L657 HydrophobicContact CB-CD1 4.05Å; P641-L657 HydrophobicContact CB-CD2 4.49Å; I642-L657 HydrophobicContact CB-CD1 4.33Å; A645-L657 HydrophobicContact CB-CD1 4.26Å; I653-L657 HydrophobicContact CG2-CD1 3.65Å; I653-L657 HydrophobicContact CG2-CG 3.9Å; I653-L657 WeakPolarHBondContact O-CB 3.45Å; I653-L657 VanDerWaalsContact O-CG 3.26Å; I653-L657 WeakPolarHBondContact O-CG 3.34Å; I653-L657 PolarHBondContact O-N 3.46Å; L657-H660 CarbonylContact O-C 3.48Å; L657-H660 VanDerWaalsContact O-C 3.26Å; L657-H660 WeakPolarHBondContact O-CA 3.48Å; L657-H660 PolarHBondContact O-N 3.04Å; L657-H660 VanDerWaalsContact O-N 3.1Å; L657-G661 PolarHBondContact O-N 2.87Å; L657-A662 VanDerWaalsContact C-CB 3.46Å; L657-A662 HydrophobicContact CB-CB 3.78Å; L657-A662 VanDerWaalsContact O-CB 3.27Å; L657-A662 WeakPolarHBondContact O-CB 3.05Å; L657-A662 PolarHBondContact O-N 3.34Å |
| 658 | L | 91.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 173.9 | -73.4 | 170.9 | 0 | 0 | 0 | 112.6 | I642 A654 T655 Y656 H660 G661 A662 L664 F692 R695 | I642-L658 HydrophobicContact CD1-CD1 4.3Å; I642-L658 HydrophobicContact CD1-CD2 3.46Å; I642-L658 VanDerWaalsContact CD1-CD2 3.46Å; I642-L658 HydrophobicContact CD1-CG 3.6Å; A654-L658 WeakPolarHBondContact O-CB 3.31Å; A654-L658 VanDerWaalsContact O-CG 3.22Å; A654-L658 WeakPolarHBondContact O-CG 3.27Å; A654-L658 PolarHBondContact O-N 3.19Å; T655-L658 PolarHBondContact O-N 2.72Å; Y656-L658 VanDerWaalsContact C-N 3.3Å; Y656-L658 PolarHBondContact O-N 3.28Å; L658-H660 PolarHBondContact O-N 3.47Å; L658-G661 PolarHBondContact O-N 3.25Å; L658-G661 VanDerWaalsContact O-N 3.1Å; L658-A662 HydrophobicContact CD2-CB 4.46Å; L658-L664 HydrophobicContact CD1-CD1 4.24Å; L658-L664 HydrophobicContact CD2-CB 3.76Å; L658-L664 HydrophobicContact CD2-CD1 3.97Å; L658-L664 HydrophobicContact CD2-CD2 4.45Å; L658-L664 HydrophobicContact CD2-CG 4.27Å; L658-F692 HydrophobicContact CD1-CD1 3.94Å; L658-F692 HydrophobicContact CD1-CE1 3.93Å; L658-R695 HydrophobicContact CD1-CB 4.01Å; L658-R695 HydrophobicContact CD1-CG 3.8Å |
| 659 | D | 87.5 | Confident | 89 | Confident | 77 Ų | 77 | 41.6 Ų | 41.6 | 41% | 0.412 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.2 | -18.4 | 175.4 | -65.7 | -14.3 | 0 | 0 | 0 | 112.3 | E32 T655 Y656 R695 | E32-D659 VanDerWaalsContact O-O 3.13Å; T655-D659 PolarHBondContact O-N 3.07Å; Y656-D659 CarbonylContact O-C 3.54Å; Y656-D659 WeakPolarHBondContact O-CB 3.23Å; Y656-D659 PolarHBondContact O-N 2.97Å; Y656-D659 VanDerWaalsContact O-N 3.12Å; D659-R695 IonicContact OD1-CZ 3.46Å; D659-R695 IonicContact OD1-NH1 3.86Å; D659-R695 PolarHBondContact OD1-NH1 2.7Å; D659-R695 IonicContact OD1-NH2 3.84Å; D659-R695 PolarHBondContact OD1-NH2 3.03Å; D659-R695 IonicContact OD2-NH2 2.95Å |
| 660 | H | 83.5 | Confident | 88 | Confident | 59 Ų | 59 | 43.3 Ų | 43.3 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 15.7 | 175.8 | -65.3 | 75.1 | 0 | 0 | 0 | 112.9 | I624 V631 Y656 L657 L658 | I624-H660 HydrophobicContact CD1-CB 4.46Å; I624-H660 HydrophobicContact CG2-CB 4.21Å; V631-H660 HydrophobicContact CG2-CB 4.02Å; V631-H660 WeakPolarHBondContact CG2-O 3.42Å; Y656-H660 AromaticContact CD1-CE1 4Å; Y656-H660 AromaticContact CD1-ND1 3.66Å; Y656-H660 AromaticContact CD2-CE1 3.64Å; Y656-H660 AromaticContact CD2-ND1 3.91Å; Y656-H660 AromaticContact CE1-CE1 3.56Å; Y656-H660 AromaticContact CE1-ND1 3.54Å; Y656-H660 AromaticContact CE2-CE1 3.17Å; Y656-H660 WeakPolarHBondContact CE2-CE1 3.34Å; Y656-H660 AromaticContact CE2-ND1 3.82Å; Y656-H660 AromaticContact CE2-NE2 3.97Å; Y656-H660 AromaticContact CG-ND1 3.85Å; Y656-H660 AromaticContact CZ-CE1 3.12Å; Y656-H660 AromaticContact CZ-ND1 3.62Å; Y656-H660 AromaticContact CZ-NE2 3.59Å; Y656-H660 PolarHBondContact O-N 3.37Å; Y656-H660 PolarHBondContact O-ND1 3.08Å; Y656-H660 PolarHBondContact OH-NE2 3.24Å; L657-H660 CarbonylContact O-C 3.48Å; L657-H660 VanDerWaalsContact O-C 3.26Å; L657-H660 WeakPolarHBondContact O-CA 3.48Å; L657-H660 PolarHBondContact O-N 3.04Å; L657-H660 VanDerWaalsContact O-N 3.1Å; L658-H660 PolarHBondContact O-N 3.47Å |
| 661 | G | 81.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 17.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | G34 N632 L657 L658 K663 | G34-G661 VanDerWaalsContact C-CA 3.42Å; G34-G661 CarbonylContact O-C 3.55Å; G34-G661 VanDerWaalsContact O-CA 3.27Å; G34-G661 WeakPolarHBondContact O-CA 3.3Å; G34-G661 VanDerWaalsContact O-O 3.08Å; N632-G661 PolarHBondContact ND2-O 3Å; L657-G661 PolarHBondContact O-N 2.87Å; L658-G661 PolarHBondContact O-N 3.25Å; L658-G661 VanDerWaalsContact O-N 3.1Å; G661-K663 PolarHBondContact O-N 2.98Å |
| 662 | A | 87.8 | Confident | 86.1 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | trans | -59.4 | 135 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V631 N632 I642 L657 L658 L664 | V631-A662 HydrophobicContact CG1-CB 3.79Å; N632-A662 VanDerWaalsContact OD1-CA 3.27Å; N632-A662 WeakPolarHBondContact OD1-CA 2.86Å; I642-A662 HydrophobicContact CB-CB 3.96Å; I642-A662 HydrophobicContact CD1-CB 3.7Å; I642-A662 HydrophobicContact CG1-CB 4.4Å; I642-A662 HydrophobicContact CG2-CB 4.19Å; L657-A662 VanDerWaalsContact C-CB 3.46Å; L657-A662 HydrophobicContact CB-CB 3.78Å; L657-A662 VanDerWaalsContact O-CB 3.27Å; L657-A662 WeakPolarHBondContact O-CB 3.05Å; L657-A662 PolarHBondContact O-N 3.34Å; L658-A662 HydrophobicContact CD2-CB 4.46Å; A662-L664 PolarHBondContact O-N 3.29Å; A662-L664 VanDerWaalsContact O-N 3.08Å | ||
| 663 | K | 86.5 | Confident | 85.7 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | trans | -72.9 | 100.8 | 177.4 | -67.8 | 175.9 | 179.6 | -179.9 | 0 | 110.3 | N632 L640 G661 D665 D666 | N632-K663 HydrophobicContact CB-CD 4.44Å; N632-K663 PolarHBondContact OD1-N 2.88Å; L640-K663 HydrophobicContact CD1-CB 3.91Å; L640-K663 HydrophobicContact CD1-CD 4.42Å; G661-K663 PolarHBondContact O-N 2.98Å; K663-D665 VanDerWaalsContact C-N 3.3Å; K663-D665 PolarHBondContact O-N 3.36Å; K663-D666 HydrophobicContact CB-CB 3.85Å; K663-D666 PolarHBondContact O-N 3.44Å | ||
| 664 | L | 90.7 | Very high | 85.4 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -31.6 | -176.7 | -177.5 | 57 | 0 | 0 | 0 | 114.5 | I642 L658 A662 P676 F692 R695 A697 | I642-L664 HydrophobicContact CD1-CD1 4.4Å; L658-L664 HydrophobicContact CD1-CD1 4.24Å; L658-L664 HydrophobicContact CD2-CB 3.76Å; L658-L664 HydrophobicContact CD2-CD1 3.97Å; L658-L664 HydrophobicContact CD2-CD2 4.45Å; L658-L664 HydrophobicContact CD2-CG 4.27Å; A662-L664 PolarHBondContact O-N 3.29Å; A662-L664 VanDerWaalsContact O-N 3.08Å; L664-P676 VanDerWaalsContact O-CD 3.29Å; L664-P676 WeakPolarHBondContact O-CD 3.22Å; L664-P676 WeakPolarHBondContact O-CG 3.09Å; L664-F692 HydrophobicContact CD1-CB 3.82Å; L664-F692 HydrophobicContact CD1-CD1 3.42Å; L664-F692 VanDerWaalsContact CD1-CD1 3.42Å; L664-F692 HydrophobicContact CD1-CD2 4.04Å; L664-F692 HydrophobicContact CD1-CE1 3.89Å; L664-F692 HydrophobicContact CD1-CE2 4.45Å; L664-F692 HydrophobicContact CD1-CG 3.49Å; L664-F692 VanDerWaalsContact CD1-CG 3.49Å; L664-F692 HydrophobicContact CD1-CZ 4.39Å; L664-R695 HydrophobicContact CD2-CB 3.95Å; L664-A697 HydrophobicContact CD1-CB 4.23Å; L664-A697 HydrophobicContact CD2-CB 3.83Å; L664-A697 VanDerWaalsContact CD2-N 3.28Å; L664-A697 HydrophobicContact CG-CB 3.89Å |
| 665 | D | 88.9 | Confident | 85.3 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 19.5 | -174.5 | -65.8 | -39.7 | 0 | 0 | 0 | 112.6 | K663 A697 N698 | K663-D665 VanDerWaalsContact C-N 3.3Å; K663-D665 PolarHBondContact O-N 3.36Å; D665-A697 VanDerWaalsContact OD1-CA 3.31Å; D665-A697 WeakPolarHBondContact OD1-CA 3.37Å; D665-N698 HydrophobicContact CB-CB 4.47Å; D665-N698 PolarHBondContact OD1-N 2.89Å; D665-N698 PolarHBondContact OD2-N 3.28Å |
| 666 | D | 89.3 | Confident | 85.3 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | trans | -61.9 | 142.8 | 170.6 | -163.5 | -73.8 | 0 | 0 | 0 | 109.3 | L640 H643 K663 G668 T675 P676 | L640-D666 HydrophobicContact CD1-CB 3.54Å; L640-D666 HydrophobicContact CG-CB 4.44Å; H643-D666 IonicContact CE1-OD1 2.75Å; H643-D666 PolarHBondContact NE2-O 3.26Å; K663-D666 HydrophobicContact CB-CB 3.85Å; K663-D666 PolarHBondContact O-N 3.44Å; D666-G668 VanDerWaalsContact C-N 3.33Å; D666-G668 PolarHBondContact OD1-N 3.34Å; D666-T675 WeakPolarHBondContact O-CA 3.34Å; D666-P676 VanDerWaalsContact O-CD 3.23Å; D666-P676 WeakPolarHBondContact O-CD 3.31Å | ||
| 667 | T | 86.5 | Confident | 85.5 | Confident | 44 Ų | 44 | 37.9 Ų | 37.9 | 27% | 0.27 | 19% | 0.194 | S | C | . | . | trans | -91.2 | -0.8 | -174.1 | 58 | 0 | 0 | 0 | 0 | 113.1 | Y669 Y673 S674 T675 | T667-Y669 PolarHBondContact O-N 2.92Å; T667-Y673 HydrophobicContact CG2-CD1 4.27Å; T667-Y673 CarbonylContact O-C 3.26Å; T667-Y673 WeakPolarHBondContact O-CA 3.44Å; T667-S674 CarbonylContact C-O 3.58Å; T667-S674 PolarHBondContact O-N 3.26Å; T667-S674 VanDerWaalsContact O-O 3.08Å; T667-T675 HydrophobicContact CG2-CG2 4.46Å | ||
| 668 | G | 84 | Confident | 85.4 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | trans | 57.3 | -121.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | G638 H643 D666 P670 | G638-G668 CarbonylContact O-C 3.58Å; G638-G668 VanDerWaalsContact O-CA 3.28Å; G638-G668 WeakPolarHBondContact O-CA 3.39Å; H643-G668 PolarHBondContact NE2-N 3.46Å; D666-G668 VanDerWaalsContact C-N 3.33Å; D666-G668 PolarHBondContact OD1-N 3.34Å; G668-P670 WeakPolarHBondContact O-CD 3.43Å | ||
| 669 | Y | 77.5 | Confident | 85.4 | Confident | 90 Ų | 90 | 38 Ų | 38 | 35% | 0.353 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -62.9 | 120.4 | -173.2 | -173.2 | -134.4 | 0 | 0 | 0 | 112.2 | A637 T667 D671 D672 Y673 | A637-Y669 HydrophobicContact CB-CD2 4.3Å; A637-Y669 VanDerWaalsContact O-CA 3.23Å; A637-Y669 WeakPolarHBondContact O-CA 3.46Å; A637-Y669 WeakPolarHBondContact O-CB 3.44Å; A637-Y669 WeakPolarHBondContact O-CD2 3.4Å; T667-Y669 PolarHBondContact O-N 2.92Å; Y669-D671 HydrophobicContact CD1-CB 3.93Å; Y669-D671 HydrophobicContact CE1-CB 3.49Å; Y669-D671 VanDerWaalsContact CE1-CB 3.49Å; Y669-D671 PolarHBondContact O-N 3.18Å; Y669-D672 HydrophobicContact CD1-CB 4.28Å; Y669-D672 PolarHBondContact O-N 2.96Å; Y669-Y673 PolarHBondContact O-N 3.04Å |
| 670 | P | 69.5 | Low | 85.6 | Confident | 76 Ų | 76 | 34.4 Ų | 34.4 | 49% | 0.494 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.3 | -176 | -23.2 | 32.1 | 0 | 0 | 0 | 114.9 | G668 Y673 | G668-P670 WeakPolarHBondContact O-CD 3.43Å; P670-Y673 VanDerWaalsContact O-CD2 3.3Å; P670-Y673 WeakPolarHBondContact O-CD2 3.47Å; P670-Y673 WeakPolarHBondContact O-CE2 3.29Å |
| 671 | D | 70.6 | Confident | 85.9 | Confident | 58 Ų | 58 | 31.7 Ų | 31.7 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11.5 | 178.9 | -80.9 | -33.3 | 0 | 0 | 0 | 113.9 | K517 Y669 K704 | K517-D671 IonicContact NZ-OD1 2.84Å; K517-D671 IonicContact NZ-OD2 2.66Å; Y669-D671 HydrophobicContact CD1-CB 3.93Å; Y669-D671 HydrophobicContact CE1-CB 3.49Å; Y669-D671 VanDerWaalsContact CE1-CB 3.49Å; Y669-D671 PolarHBondContact O-N 3.18Å; D671-K704 WeakPolarHBondContact O-CD 3.3Å; D671-K704 PolarHBondContact O-NZ 2.8Å; D671-K704 IonicContact OD1-NZ 2.64Å; D671-K704 PolarHBondContact OD1-NZ 3.49Å |
| 672 | D | 75.8 | Confident | 86.2 | Confident | 50 Ų | 50 | 38.1 Ų | 38.1 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -31.2 | 176.4 | -148.8 | 38.4 | 0 | 0 | 0 | 112.3 | Y669 S674 K704 Q705 | Y669-D672 HydrophobicContact CD1-CB 4.28Å; Y669-D672 PolarHBondContact O-N 2.96Å; D672-S674 PolarHBondContact O-N 2.79Å; D672-S674 WeakPolarHBondContact OD2-CB 3.46Å; D672-S674 PolarHBondContact OD2-OG 3.41Å; D672-K704 WeakPolarHBondContact O-CB 3.41Å; D672-K704 PolarHBondContact O-N 2.8Å; D672-Q705 PolarHBondContact OD1-NE2 3.31Å; D672-Q705 PolarHBondContact OD1-OE1 3.32Å |
| 673 | Y | 81.9 | Confident | 86.1 | Confident | 110 Ų | 110 | 41.1 Ų | 41.1 | 43% | 0.431 | 21% | 0.206 | S | C | . | . | trans | 52.7 | 36.9 | -171.5 | -70.5 | -92 | 0 | 0 | 0 | 112.3 | T667 Y669 P670 H701 K704 | T667-Y673 HydrophobicContact CG2-CD1 4.27Å; T667-Y673 CarbonylContact O-C 3.26Å; T667-Y673 WeakPolarHBondContact O-CA 3.44Å; Y669-Y673 PolarHBondContact O-N 3.04Å; P670-Y673 VanDerWaalsContact O-CD2 3.3Å; P670-Y673 WeakPolarHBondContact O-CD2 3.47Å; P670-Y673 WeakPolarHBondContact O-CE2 3.29Å; Y673-H701 PolarHBondContact O-NE2 2.97Å; Y673-K704 HydrophobicContact CD2-CB 4.01Å; Y673-K704 HydrophobicContact CD2-CD 4.26Å; Y673-K704 HydrophobicContact CD2-CG 4.16Å; Y673-K704 HydrophobicContact CE2-CD 4.49Å | ||
| 674 | S | 88.1 | Confident | 86.1 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | trans | -88.1 | 127 | -179.1 | -74 | 0 | 0 | 0 | 0 | 110.5 | T667 D672 E679 | T667-S674 CarbonylContact C-O 3.58Å; T667-S674 PolarHBondContact O-N 3.26Å; T667-S674 VanDerWaalsContact O-O 3.08Å; D672-S674 PolarHBondContact O-N 2.79Å; D672-S674 WeakPolarHBondContact OD2-CB 3.46Å; D672-S674 PolarHBondContact OD2-OG 3.41Å; S674-E679 WeakPolarHBondContact CB-OE1 3.26Å | ||
| 675 | T | 92.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -76 | 163.5 | 175.2 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | D666 T667 L677 F678 E679 H701 | D666-T675 WeakPolarHBondContact O-CA 3.34Å; T667-T675 HydrophobicContact CG2-CG2 4.46Å; T675-L677 PolarHBondContact O-N 3.25Å; T675-F678 WeakPolarHBondContact O-CA 3.48Å; T675-F678 WeakPolarHBondContact O-CB 3.44Å; T675-F678 PolarHBondContact O-N 3.45Å; T675-F678 WeakPolarHBondContact OG1-CD2 3.24Å; T675-E679 PolarHBondContact O-N 2.82Å; T675-E679 VanDerWaalsContact O-N 3.09Å; T675-H701 HydrophobicContact CG2-CB 4.36Å; T675-H701 VanDerWaalsContact CG2-CD2 3.46Å; T675-H701 WeakPolarHBondContact CG2-CD2 3.5Å | ||
| 676 | P | 93.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51.7 | -32.4 | 173.6 | -28.2 | 34.1 | 0 | 0 | 0 | 113.3 | I642 H643 A646 L664 D666 A680 F692 | I642-P676 HydrophobicContact CG1-CB 4.44Å; I642-P676 HydrophobicContact CG2-CG 3.96Å; H643-P676 WeakPolarHBondContact NE2-CD 3.32Å; A646-P676 HydrophobicContact CB-CB 4.02Å; A646-P676 VanDerWaalsContact CB-O 3.26Å; A646-P676 WeakPolarHBondContact CB-O 3.47Å; L664-P676 VanDerWaalsContact O-CD 3.29Å; L664-P676 WeakPolarHBondContact O-CD 3.22Å; L664-P676 WeakPolarHBondContact O-CG 3.09Å; D666-P676 VanDerWaalsContact O-CD 3.23Å; D666-P676 WeakPolarHBondContact O-CD 3.31Å; P676-A680 WeakPolarHBondContact O-CB 3.37Å; P676-A680 PolarHBondContact O-N 2.84Å; P676-F692 HydrophobicContact CB-CD2 4.12Å; P676-F692 HydrophobicContact CB-CE2 3.4Å; P676-F692 HydrophobicContact CB-CZ 3.99Å |
| 677 | L | 94.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.8 | -37.6 | 174.8 | -179.7 | 60.7 | 0 | 0 | 0 | 113 | T675 A680 I681 A689 F692 V693 A697 L699 L709 | T675-L677 PolarHBondContact O-N 3.25Å; L677-A680 PolarHBondContact O-N 3.08Å; L677-I681 HydrophobicContact CD1-CD1 4.44Å; L677-I681 HydrophobicContact CD1-CG1 4.4Å; L677-I681 WeakPolarHBondContact O-CG1 3.45Å; L677-I681 PolarHBondContact O-N 3.4Å; L677-I681 VanDerWaalsContact O-N 3.15Å; L677-A689 HydrophobicContact CD1-CB 3.8Å; L677-F692 HydrophobicContact CB-CD2 4.28Å; L677-F692 HydrophobicContact CD1-CB 4.18Å; L677-V693 HydrophobicContact CD1-CG2 4.12Å; L677-V693 HydrophobicContact CD2-CG2 4.16Å; L677-A697 HydrophobicContact CB-CB 4.36Å; L677-A697 HydrophobicContact CD2-CB 3.84Å; L677-L699 HydrophobicContact CD2-CD2 3.92Å; L677-L709 HydrophobicContact CD2-CD1 4.11Å; L677-L709 HydrophobicContact CD2-CD2 3.58Å; L677-L709 HydrophobicContact CG-CD1 3.91Å; L677-L709 HydrophobicContact CG-CD2 4.25Å |
| 678 | F | 91.7 | Very high | 86.7 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 173.2 | -93.8 | -118.1 | 0 | 0 | 0 | 110.4 | T675 A680 I681 H682 H701 N703 E707 L709 L712 | T675-F678 WeakPolarHBondContact O-CA 3.48Å; T675-F678 WeakPolarHBondContact O-CB 3.44Å; T675-F678 PolarHBondContact O-N 3.45Å; T675-F678 WeakPolarHBondContact OG1-CD2 3.24Å; F678-A680 VanDerWaalsContact C-N 3.35Å; F678-A680 PolarHBondContact O-N 3.37Å; F678-I681 PolarHBondContact O-N 2.9Å; F678-H682 WeakPolarHBondContact O-CB 3.16Å; F678-H682 PolarHBondContact O-N 2.93Å; F678-H701 HydrophobicContact CE2-CB 4.1Å; F678-H701 AromaticContact CE2-CD2 3.91Å; F678-N703 HydrophobicContact CD1-CB 4.09Å; F678-N703 HydrophobicContact CE1-CB 3.73Å; F678-N703 HydrophobicContact CZ-CB 4.47Å; F678-E707 WeakPolarHBondContact CZ-O 3.44Å; F678-L709 HydrophobicContact CD2-CD1 4.05Å; F678-L709 HydrophobicContact CE2-CB 4.04Å; F678-L709 HydrophobicContact CE2-CD1 4.1Å; F678-L709 HydrophobicContact CZ-CB 4.45Å; F678-L712 HydrophobicContact CB-CD1 4.32Å; F678-L712 HydrophobicContact CD1-CD1 3.11Å; F678-L712 HydrophobicContact CE1-CD1 3.36Å; F678-L712 HydrophobicContact CG-CD1 3.77Å; F678-L712 HydrophobicContact CZ-CD1 4.22Å |
| 679 | E | 91.1 | Very high | 87.2 | Confident | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 178.5 | -63.7 | -55.6 | 152.3 | 0 | 0 | 112.1 | W639 S674 T675 I681 H682 N683 | W639-E679 HydrophobicContact CZ2-CG 4.19Å; S674-E679 WeakPolarHBondContact CB-OE1 3.26Å; T675-E679 PolarHBondContact O-N 2.82Å; T675-E679 VanDerWaalsContact O-N 3.09Å; E679-I681 VanDerWaalsContact C-N 3.32Å; E679-I681 PolarHBondContact O-N 2.91Å; E679-H682 PolarHBondContact O-N 3.39Å; E679-N683 PolarHBondContact O-N 3.35Å |
| 680 | A | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A646 P676 L677 F678 G684 A685 A689 | A646-A680 HydrophobicContact CB-CB 4.23Å; P676-A680 WeakPolarHBondContact O-CB 3.37Å; P676-A680 PolarHBondContact O-N 2.84Å; L677-A680 PolarHBondContact O-N 3.08Å; F678-A680 VanDerWaalsContact C-N 3.35Å; F678-A680 PolarHBondContact O-N 3.37Å; A680-G684 CarbonylContact O-C 3.55Å; A680-G684 PolarHBondContact O-N 3.47Å; A680-A685 HydrophobicContact CB-CB 4.09Å; A680-A685 WeakPolarHBondContact O-CA 3.33Å; A680-A685 WeakPolarHBondContact O-CB 3.47Å; A680-A685 PolarHBondContact O-N 3.34Å; A680-A689 HydrophobicContact CB-CB 3.95Å |
| 681 | I | 90.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.5 | -42.7 | 178.3 | -64 | -167.4 | 0 | 0 | 0 | 111.3 | L677 F678 E679 N683 G684 A689 L709 L712 L713 L736 | L677-I681 HydrophobicContact CD1-CD1 4.44Å; L677-I681 HydrophobicContact CD1-CG1 4.4Å; L677-I681 WeakPolarHBondContact O-CG1 3.45Å; L677-I681 PolarHBondContact O-N 3.4Å; L677-I681 VanDerWaalsContact O-N 3.15Å; F678-I681 PolarHBondContact O-N 2.9Å; E679-I681 VanDerWaalsContact C-N 3.32Å; E679-I681 PolarHBondContact O-N 2.91Å; I681-N683 VanDerWaalsContact C-N 3.28Å; I681-N683 PolarHBondContact O-N 2.96Å; I681-G684 PolarHBondContact O-N 3.47Å; I681-G684 VanDerWaalsContact O-N 3.14Å; I681-A689 HydrophobicContact CG1-CB 4.22Å; I681-L709 HydrophobicContact CD1-CD1 3.45Å; I681-L709 VanDerWaalsContact CD1-CD1 3.45Å; I681-L709 HydrophobicContact CD1-CG 4.09Å; I681-L709 HydrophobicContact CG1-CD1 4.38Å; I681-L712 HydrophobicContact CG2-CB 4.09Å; I681-L713 HydrophobicContact CD1-CD1 4.23Å; I681-L713 HydrophobicContact CD1-CD2 3.59Å; I681-L713 HydrophobicContact CD1-CG 3.77Å; I681-L713 HydrophobicContact CG2-CD2 4.37Å; I681-L736 HydrophobicContact CD1-CD2 4.23Å |
| 682 | H | 86.1 | Confident | 90.3 | Very high | 136 Ų | 136 | 24.2 Ų | 24.2 | 63% | 0.63 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -57.6 | -42.1 | 179.1 | -178.9 | -95.6 | 0 | 0 | 0 | 111.6 | F678 E679 L712 | F678-H682 WeakPolarHBondContact O-CB 3.16Å; F678-H682 PolarHBondContact O-N 2.93Å; E679-H682 PolarHBondContact O-N 3.39Å; H682-L712 HydrophobicContact CB-CD2 4.41Å |
| 683 | N | 86.9 | Confident | 91.2 | Very high | 71 Ų | 71 | 21.8 Ų | 21.8 | 38% | 0.38 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.7 | 179.3 | -150.8 | 39.6 | 0 | 0 | 0 | 114.7 | F647 E679 I681 A685 | F647-N683 HydrophobicContact CD2-CB 4.16Å; F647-N683 HydrophobicContact CE2-CB 4.2Å; F647-N683 PolarHBondContact O-ND2 3.2Å; E679-N683 PolarHBondContact O-N 3.35Å; I681-N683 VanDerWaalsContact C-N 3.28Å; I681-N683 PolarHBondContact O-N 2.96Å; N683-A685 VanDerWaalsContact C-N 3.34Å; N683-A685 PolarHBondContact O-N 3.43Å |
| 684 | G | 86.5 | Confident | 91.6 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 8% | 0.082 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 20.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A680 I681 L686 | A680-G684 CarbonylContact O-C 3.55Å; A680-G684 PolarHBondContact O-N 3.47Å; I681-G684 PolarHBondContact O-N 3.47Å; I681-G684 VanDerWaalsContact O-N 3.14Å; G684-L686 PolarHBondContact O-N 3.48Å |
| 685 | A | 90.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | trans | -74.7 | 62.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A646 D649 A680 N683 T687 T688 A689 | A646-A685 WeakPolarHBondContact O-CB 3.28Å; D649-A685 HydrophobicContact CB-CB 3.42Å; D649-A685 VanDerWaalsContact CB-CB 3.42Å; D649-A685 WeakPolarHBondContact OD1-CB 3.36Å; A680-A685 HydrophobicContact CB-CB 4.09Å; A680-A685 WeakPolarHBondContact O-CA 3.33Å; A680-A685 WeakPolarHBondContact O-CB 3.47Å; A680-A685 PolarHBondContact O-N 3.34Å; N683-A685 VanDerWaalsContact C-N 3.34Å; N683-A685 PolarHBondContact O-N 3.43Å; A685-T687 VanDerWaalsContact C-N 3.28Å; A685-T687 PolarHBondContact O-N 2.94Å; A685-T688 PolarHBondContact O-N 3.35Å; A685-A689 WeakPolarHBondContact O-CB 3.27Å; A685-A689 PolarHBondContact O-N 3.4Å | ||
| 686 | L | 91.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -33.6 | -171.5 | -61.9 | 178 | 0 | 0 | 0 | 113.3 | G684 A689 L690 W716 Q729 K732 F733 L736 | G684-L686 PolarHBondContact O-N 3.48Å; L686-A689 PolarHBondContact O-N 3.03Å; L686-L690 WeakPolarHBondContact O-CB 3.43Å; L686-L690 PolarHBondContact O-N 2.76Å; L686-W716 HydrophobicContact CD1-CH2 3.92Å; L686-W716 HydrophobicContact CD1-CZ2 3.58Å; L686-W716 HydrophobicContact CD2-CZ2 4.01Å; L686-W716 HydrophobicContact CG-CZ2 4.08Å; L686-Q729 HydrophobicContact CD1-CB 4.33Å; L686-Q729 WeakPolarHBondContact CD1-O 3.27Å; L686-K732 HydrophobicContact CB-CB 4.06Å; L686-K732 HydrophobicContact CB-CD 4.47Å; L686-K732 HydrophobicContact CD1-CB 3.84Å; L686-F733 HydrophobicContact CD1-CB 4.01Å; L686-F733 HydrophobicContact CD2-CB 4.43Å; L686-F733 HydrophobicContact CD2-CD2 3.88Å; L686-L736 HydrophobicContact CD2-CD2 4.17Å |
| 687 | T | 91.7 | Very high | 91.3 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.9 | -47.2 | -179.8 | -36 | 0 | 0 | 0 | 0 | 110.3 | D649 A685 L690 I691 K732 | D649-T687 WeakPolarHBondContact OD1-CB 3.33Å; D649-T687 PolarHBondContact OD2-OG1 3.08Å; D649-T687 VanDerWaalsContact OD2-OG1 3.06Å; A685-T687 VanDerWaalsContact C-N 3.28Å; A685-T687 PolarHBondContact O-N 2.94Å; T687-L690 PolarHBondContact O-N 3.47Å; T687-I691 WeakPolarHBondContact O-CG1 3.42Å; T687-I691 PolarHBondContact O-N 2.86Å; T687-K732 PolarHBondContact OG1-NZ 3.05Å |
| 688 | T | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.3 | -39.7 | 178.4 | -53 | 0 | 0 | 0 | 0 | 111.5 | A646 D649 S651 A654 A685 L690 I691 F692 | A646-T688 HydrophobicContact CB-CG2 4.38Å; D649-T688 WeakPolarHBondContact CA-OG1 3.49Å; D649-T688 VanDerWaalsContact OD1-CB 3.32Å; D649-T688 WeakPolarHBondContact OD1-CB 3.35Å; D649-T688 PolarHBondContact OD1-N 3.5Å; D649-T688 PolarHBondContact OD1-OG1 2.84Å; S651-T688 WeakPolarHBondContact CA-OG1 3.33Å; S651-T688 PolarHBondContact N-OG1 3Å; A654-T688 HydrophobicContact CB-CG2 3.7Å; A685-T688 PolarHBondContact O-N 3.35Å; T688-L690 VanDerWaalsContact C-N 3.32Å; T688-L690 PolarHBondContact O-N 3.28Å; T688-I691 WeakPolarHBondContact O-CB 3.39Å; T688-I691 PolarHBondContact O-N 3.16Å; T688-F692 HydrophobicContact CG2-CD1 4.33Å; T688-F692 HydrophobicContact CG2-CD2 4.37Å; T688-F692 HydrophobicContact CG2-CE1 3.82Å; T688-F692 HydrophobicContact CG2-CE2 3.84Å; T688-F692 HydrophobicContact CG2-CZ 3.54Å; T688-F692 WeakPolarHBondContact O-CG 3.4Å; T688-F692 PolarHBondContact O-N 3.05Å |
| 689 | A | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.7 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L677 A680 I681 A685 L686 I691 F692 V693 L736 | L677-A689 HydrophobicContact CD1-CB 3.8Å; A680-A689 HydrophobicContact CB-CB 3.95Å; I681-A689 HydrophobicContact CG1-CB 4.22Å; A685-A689 WeakPolarHBondContact O-CB 3.27Å; A685-A689 PolarHBondContact O-N 3.4Å; L686-A689 PolarHBondContact O-N 3.03Å; A689-I691 PolarHBondContact O-N 2.81Å; A689-F692 PolarHBondContact O-N 3.2Å; A689-V693 WeakPolarHBondContact O-CG2 3.46Å; A689-V693 PolarHBondContact O-N 3.22Å; A689-L736 HydrophobicContact CB-CD1 4.07Å; A689-L736 HydrophobicContact CB-CD2 4.1Å |
| 690 | L | 93.7 | Very high | 90.9 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.8 | -171.5 | 78.9 | 0 | 0 | 0 | 111.4 | L686 T687 T688 F692 V693 N694 E735 L736 A739 | L686-L690 WeakPolarHBondContact O-CB 3.43Å; L686-L690 PolarHBondContact O-N 2.76Å; T687-L690 PolarHBondContact O-N 3.47Å; T688-L690 VanDerWaalsContact C-N 3.32Å; T688-L690 PolarHBondContact O-N 3.28Å; L690-F692 VanDerWaalsContact C-N 3.34Å; L690-F692 PolarHBondContact O-N 3.24Å; L690-V693 PolarHBondContact O-N 3.12Å; L690-N694 WeakPolarHBondContact O-CB 3.42Å; L690-N694 VanDerWaalsContact O-CG 3.29Å; L690-N694 PolarHBondContact O-N 2.93Å; L690-N694 PolarHBondContact O-ND2 2.67Å; L690-E735 HydrophobicContact CD1-CB 4.38Å; L690-E735 HydrophobicContact CD1-CG 3.93Å; L690-E735 HydrophobicContact CD2-CG 4.14Å; L690-E735 WeakPolarHBondContact CD2-OE1 3.5Å; L690-L736 HydrophobicContact CB-CD1 4.47Å; L690-L736 HydrophobicContact CD1-CB 4.3Å; L690-L736 HydrophobicContact CD1-CD1 4.43Å; L690-A739 HydrophobicContact CD1-CB 3.87Å |
| 691 | I | 93.8 | Very high | 90.6 | Very high | 37 Ų | 37 | 35.6 Ų | 35.6 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 175.7 | -67.9 | 165.8 | 0 | 0 | 0 | 110.2 | T687 T688 A689 N694 R695 | T687-I691 WeakPolarHBondContact O-CG1 3.42Å; T687-I691 PolarHBondContact O-N 2.86Å; T688-I691 WeakPolarHBondContact O-CB 3.39Å; T688-I691 PolarHBondContact O-N 3.16Å; A689-I691 PolarHBondContact O-N 2.81Å; I691-N694 CarbonylContact O-C 3.43Å; I691-N694 PolarHBondContact O-N 3.32Å; I691-R695 HydrophobicContact CG2-CG 3.91Å; I691-R695 VanDerWaalsContact O-CB 3.25Å; I691-R695 WeakPolarHBondContact O-CB 3.18Å; I691-R695 WeakPolarHBondContact O-CG 3.32Å; I691-R695 PolarHBondContact O-N 3.28Å |
| 692 | F | 96.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 179.7 | -71.5 | -5.5 | 0 | 0 | 0 | 113.2 | I642 A646 A654 L658 L664 P676 L677 T688 A689 L690 N694 R695 G696 A697 | I642-F692 HydrophobicContact CD1-CE1 3.92Å; I642-F692 HydrophobicContact CD1-CZ 3.98Å; I642-F692 HydrophobicContact CG1-CE1 4.1Å; I642-F692 HydrophobicContact CG1-CZ 3.67Å; A646-F692 HydrophobicContact CB-CE2 3.47Å; A646-F692 VanDerWaalsContact CB-CE2 3.47Å; A646-F692 HydrophobicContact CB-CZ 3.85Å; A654-F692 HydrophobicContact CB-CE1 3.8Å; A654-F692 HydrophobicContact CB-CZ 4.05Å; L658-F692 HydrophobicContact CD1-CD1 3.94Å; L658-F692 HydrophobicContact CD1-CE1 3.93Å; L664-F692 HydrophobicContact CD1-CB 3.82Å; L664-F692 HydrophobicContact CD1-CD1 3.42Å; L664-F692 VanDerWaalsContact CD1-CD1 3.42Å; L664-F692 HydrophobicContact CD1-CD2 4.04Å; L664-F692 HydrophobicContact CD1-CE1 3.89Å; L664-F692 HydrophobicContact CD1-CE2 4.45Å; L664-F692 HydrophobicContact CD1-CG 3.49Å; L664-F692 VanDerWaalsContact CD1-CG 3.49Å; L664-F692 HydrophobicContact CD1-CZ 4.39Å; P676-F692 HydrophobicContact CB-CD2 4.12Å; P676-F692 HydrophobicContact CB-CE2 3.4Å; P676-F692 HydrophobicContact CB-CZ 3.99Å; L677-F692 HydrophobicContact CB-CD2 4.28Å; L677-F692 HydrophobicContact CD1-CB 4.18Å; T688-F692 HydrophobicContact CG2-CD1 4.33Å; T688-F692 HydrophobicContact CG2-CD2 4.37Å; T688-F692 HydrophobicContact CG2-CE1 3.82Å; T688-F692 HydrophobicContact CG2-CE2 3.84Å; T688-F692 HydrophobicContact CG2-CZ 3.54Å; T688-F692 WeakPolarHBondContact O-CG 3.4Å; T688-F692 PolarHBondContact O-N 3.05Å; A689-F692 PolarHBondContact O-N 3.2Å; L690-F692 VanDerWaalsContact C-N 3.34Å; L690-F692 PolarHBondContact O-N 3.24Å; F692-N694 VanDerWaalsContact C-N 3.3Å; F692-N694 PolarHBondContact O-N 2.79Å; F692-R695 PolarHBondContact O-N 3.38Å; F692-R695 VanDerWaalsContact O-N 3.16Å; F692-G696 PolarHBondContact O-N 3.48Å; F692-G696 VanDerWaalsContact O-N 3.09Å; F692-A697 HydrophobicContact CB-CB 4.05Å; F692-A697 VanDerWaalsContact O-CB 3.24Å; F692-A697 WeakPolarHBondContact O-CB 3.42Å; F692-A697 PolarHBondContact O-N 3.25Å |
| 693 | V | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | L677 A689 L690 R695 G696 L699 L736 A739 I740 R743 | L677-V693 HydrophobicContact CD1-CG2 4.12Å; L677-V693 HydrophobicContact CD2-CG2 4.16Å; A689-V693 WeakPolarHBondContact O-CG2 3.46Å; A689-V693 PolarHBondContact O-N 3.22Å; L690-V693 PolarHBondContact O-N 3.12Å; V693-R695 VanDerWaalsContact C-N 3.33Å; V693-R695 PolarHBondContact O-N 3.29Å; V693-G696 PolarHBondContact O-N 2.91Å; V693-L699 HydrophobicContact CG1-CD2 4.44Å; V693-L699 HydrophobicContact CG2-CD2 3.97Å; V693-L736 HydrophobicContact CB-CD1 4.42Å; V693-L736 HydrophobicContact CG2-CD1 3.7Å; V693-A739 HydrophobicContact CG1-CB 4.02Å; V693-I740 HydrophobicContact CG1-CG1 3.96Å; V693-I740 HydrophobicContact CG2-CD1 4.39Å; V693-I740 HydrophobicContact CG2-CG1 3.88Å; V693-R743 WeakPolarHBondContact O-CD 3.25Å; V693-R743 PolarHBondContact O-NH1 3.21Å |
| 694 | N | 91.5 | Very high | 89.7 | Confident | 109 Ų | 109 | 35.2 Ų | 35.2 | 58% | 0.583 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -67.6 | -30 | 178.3 | -71.7 | -26.7 | 0 | 0 | 0 | 113.3 | L690 I691 F692 G696 | L690-N694 WeakPolarHBondContact O-CB 3.42Å; L690-N694 VanDerWaalsContact O-CG 3.29Å; L690-N694 PolarHBondContact O-N 2.93Å; L690-N694 PolarHBondContact O-ND2 2.67Å; I691-N694 CarbonylContact O-C 3.43Å; I691-N694 PolarHBondContact O-N 3.32Å; F692-N694 VanDerWaalsContact C-N 3.3Å; F692-N694 PolarHBondContact O-N 2.79Å; N694-G696 VanDerWaalsContact C-N 3.34Å |
| 695 | R | 89.5 | Confident | 89.3 | Confident | 102 Ų | 102 | 39 Ų | 39 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -82.8 | -6.6 | 178.7 | -72.1 | -73.7 | -172.5 | 112.5 | -14 | 114.1 | T655 L658 D659 L664 I691 F692 V693 | T655-R695 PolarHBondContact O-NH1 2.79Å; L658-R695 HydrophobicContact CD1-CB 4.01Å; L658-R695 HydrophobicContact CD1-CG 3.8Å; D659-R695 IonicContact OD1-CZ 3.46Å; D659-R695 IonicContact OD1-NH1 3.86Å; D659-R695 PolarHBondContact OD1-NH1 2.7Å; D659-R695 IonicContact OD1-NH2 3.84Å; D659-R695 PolarHBondContact OD1-NH2 3.03Å; D659-R695 IonicContact OD2-NH2 2.95Å; L664-R695 HydrophobicContact CD2-CB 3.95Å; I691-R695 HydrophobicContact CG2-CG 3.91Å; I691-R695 VanDerWaalsContact O-CB 3.25Å; I691-R695 WeakPolarHBondContact O-CB 3.18Å; I691-R695 WeakPolarHBondContact O-CG 3.32Å; I691-R695 PolarHBondContact O-N 3.28Å; F692-R695 PolarHBondContact O-N 3.38Å; F692-R695 VanDerWaalsContact O-N 3.16Å; V693-R695 VanDerWaalsContact C-N 3.33Å; V693-R695 PolarHBondContact O-N 3.29Å |
| 696 | G | 87.6 | Confident | 88.8 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 34% | 0.34 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 114.3 | 6.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116 | F692 V693 N694 R743 | F692-G696 PolarHBondContact O-N 3.48Å; F692-G696 VanDerWaalsContact O-N 3.09Å; V693-G696 PolarHBondContact O-N 2.91Å; N694-G696 VanDerWaalsContact C-N 3.34Å; G696-R743 PolarHBondContact O-NH1 3.18Å; G696-R743 VanDerWaalsContact O-NH1 3.09Å; G696-R743 PolarHBondContact O-NH2 3.29Å |
| 697 | A | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -50.7 | 145 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L664 D665 L677 F692 L699 R743 | L664-A697 HydrophobicContact CD1-CB 4.23Å; L664-A697 HydrophobicContact CD2-CB 3.83Å; L664-A697 VanDerWaalsContact CD2-N 3.28Å; L664-A697 HydrophobicContact CG-CB 3.89Å; D665-A697 VanDerWaalsContact OD1-CA 3.31Å; D665-A697 WeakPolarHBondContact OD1-CA 3.37Å; L677-A697 HydrophobicContact CB-CB 4.36Å; L677-A697 HydrophobicContact CD2-CB 3.84Å; F692-A697 HydrophobicContact CB-CB 4.05Å; F692-A697 VanDerWaalsContact O-CB 3.24Å; F692-A697 WeakPolarHBondContact O-CB 3.42Å; F692-A697 PolarHBondContact O-N 3.25Å; A697-L699 PolarHBondContact O-N 3.35Å; A697-R743 VanDerWaalsContact N-NH1 3.13Å; A697-R743 PolarHBondContact O-NH1 2.84Å; A697-R743 PolarHBondContact O-NH2 2.92Å | ||
| 698 | N | 89.3 | Confident | 88.2 | Confident | 56 Ų | 56 | 42.3 Ų | 42.3 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | trans | -73 | 107.7 | -177.5 | -177.8 | 9.6 | 0 | 0 | 0 | 111.6 | D665 W700 H701 | D665-N698 HydrophobicContact CB-CB 4.47Å; D665-N698 PolarHBondContact OD1-N 2.89Å; D665-N698 PolarHBondContact OD2-N 3.28Å; N698-W700 VanDerWaalsContact C-N 3.31Å; N698-W700 PolarHBondContact O-N 3.45Å; N698-W700 PolarHBondContact OD1-N 3.26Å; N698-H701 HydrophobicContact CB-CB 4.5Å | ||
| 699 | L | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16 | 179.9 | -54.1 | 177.4 | 0 | 0 | 0 | 113.1 | L677 V693 A697 L709 I740 R743 L744 W751 | L677-L699 HydrophobicContact CD2-CD2 3.92Å; V693-L699 HydrophobicContact CG1-CD2 4.44Å; V693-L699 HydrophobicContact CG2-CD2 3.97Å; A697-L699 PolarHBondContact O-N 3.35Å; L699-L709 HydrophobicContact CB-CD2 4.43Å; L699-L709 HydrophobicContact CD2-CD2 3.67Å; L699-I740 HydrophobicContact CD1-CG2 4.28Å; L699-I740 HydrophobicContact CD2-CG1 4.28Å; L699-R743 HydrophobicContact CD1-CB 4.01Å; L699-L744 HydrophobicContact CB-CD2 4.33Å; L699-L744 HydrophobicContact CD1-CD1 4.13Å; L699-L744 HydrophobicContact CD1-CD2 3.94Å; L699-L744 HydrophobicContact CD1-CG 3.72Å; L699-W751 PolarHBondContact O-NE1 3.43Å |
| 700 | W | 88.7 | Confident | 87.6 | Confident | 98 Ų | 98 | 42.7 Ų | 42.7 | 37% | 0.371 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 8.9 | -179.4 | -64.8 | -88.2 | 0 | 0 | 0 | 113.4 | N698 L744 E747 W751 | N698-W700 VanDerWaalsContact C-N 3.31Å; N698-W700 PolarHBondContact O-N 3.45Å; N698-W700 PolarHBondContact OD1-N 3.26Å; W700-L744 HydrophobicContact CD2-CD2 4.33Å; W700-L744 HydrophobicContact CH2-CD2 3.34Å; W700-L744 HydrophobicContact CZ2-CD2 3.03Å; W700-L744 HydrophobicContact CZ3-CD2 4.09Å; W700-E747 WeakPolarHBondContact CZ2-OE2 3.39Å; W700-W751 AromaticContact CD1-CD1 3.69Å; W700-W751 AromaticContact NE1-CD1 3.73Å |
| 701 | H | 86.2 | Confident | 87.2 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 13% | 0.13 | 21% | 0.206 | C | C | . | . | trans | -60.1 | 140.9 | 177.1 | -171.5 | 56.8 | 0 | 0 | 0 | 111.2 | Y673 T675 F678 N698 | Y673-H701 PolarHBondContact O-NE2 2.97Å; T675-H701 HydrophobicContact CG2-CB 4.36Å; T675-H701 VanDerWaalsContact CG2-CD2 3.46Å; T675-H701 WeakPolarHBondContact CG2-CD2 3.5Å; F678-H701 HydrophobicContact CE2-CB 4.1Å; F678-H701 AromaticContact CE2-CD2 3.91Å; N698-H701 HydrophobicContact CB-CB 4.5Å | ||
| 702 | K | 83.6 | Confident | 86.8 | Confident | 76 Ų | 76 | 41.8 Ų | 41.8 | 33% | 0.33 | 20% | 0.202 | S | C | . | . | B | Isolated β-bridge | trans | -118.3 | 116.3 | 179.1 | -176.7 | 179.6 | -178.4 | 178.6 | 0 | 106.7 | E707 Y708 E757 | K702-E707 WeakPolarHBondContact CA-O 3.35Å; K702-Y708 HydrophobicContact CB-CD1 4.27Å; K702-Y708 HydrophobicContact CB-CE1 3.92Å; K702-Y708 HydrophobicContact CD-CE1 4.48Å; K702-Y708 HydrophobicContact CD-CE2 4.39Å; K702-Y708 HydrophobicContact CG-CE1 4.38Å; K702-E757 IonicContact NZ-OE2 3.17Å; K702-E757 PolarHBondContact NZ-OE2 2.72Å |
| 703 | N | 82.5 | Confident | 86.4 | Confident | 11 Ų | 11 | 41.9 Ų | 41.9 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | trans | -70 | 175.8 | 174.3 | 69.9 | 2.3 | 0 | 0 | 0 | 110.6 | F678 Q705 G706 E707 | F678-N703 HydrophobicContact CD1-CB 4.09Å; F678-N703 HydrophobicContact CE1-CB 3.73Å; F678-N703 HydrophobicContact CZ-CB 4.47Å; N703-Q705 PolarHBondContact ND2-OE1 2.95Å; N703-Q705 VanDerWaalsContact ND2-OE1 3.09Å; N703-Q705 PolarHBondContact O-N 2.9Å; N703-Q705 PolarHBondContact OD1-N 3.29Å; N703-Q705 PolarHBondContact OD1-OE1 3.4Å; N703-G706 WeakPolarHBondContact O-CA 3.37Å; N703-G706 PolarHBondContact O-N 3.22Å; N703-G706 PolarHBondContact OD1-N 3Å; N703-G706 VanDerWaalsContact OD1-N 3.14Å; N703-E707 PolarHBondContact N-O 3.32Å; N703-E707 VanDerWaalsContact N-O 3.1Å; N703-E707 PolarHBondContact ND2-OE2 2.92Å; N703-E707 WeakPolarHBondContact OD1-CA 3.27Å; N703-E707 WeakPolarHBondContact OD1-CB 3.45Å; N703-E707 PolarHBondContact OD1-N 3.1Å; N703-E707 PolarHBondContact OD1-O 3.49Å | ||
| 704 | K | 77.8 | Confident | 86 | Confident | 115 Ų | 115 | 43.5 Ų | 43.5 | 50% | 0.5 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.8 | -178 | -161.8 | -179.1 | 179.1 | -179.4 | 0 | 113 | D671 D672 Y673 G706 | D671-K704 WeakPolarHBondContact O-CD 3.3Å; D671-K704 PolarHBondContact O-NZ 2.8Å; D671-K704 IonicContact OD1-NZ 2.64Å; D671-K704 PolarHBondContact OD1-NZ 3.49Å; D672-K704 WeakPolarHBondContact O-CB 3.41Å; D672-K704 PolarHBondContact O-N 2.8Å; Y673-K704 HydrophobicContact CD2-CB 4.01Å; Y673-K704 HydrophobicContact CD2-CD 4.26Å; Y673-K704 HydrophobicContact CD2-CG 4.16Å; Y673-K704 HydrophobicContact CE2-CD 4.49Å; K704-G706 PolarHBondContact O-N 3.23Å |
| 705 | Q | 78.4 | Confident | 85.5 | Confident | 88 Ų | 88 | 43.7 Ų | 43.7 | 41% | 0.411 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -7.6 | 177.6 | -60.9 | 76.4 | 9.4 | 0 | 0 | 112.4 | D672 N703 E707 | D672-Q705 PolarHBondContact OD1-NE2 3.31Å; D672-Q705 PolarHBondContact OD1-OE1 3.32Å; N703-Q705 PolarHBondContact ND2-OE1 2.95Å; N703-Q705 VanDerWaalsContact ND2-OE1 3.09Å; N703-Q705 PolarHBondContact O-N 2.9Å; N703-Q705 PolarHBondContact OD1-N 3.29Å; N703-Q705 PolarHBondContact OD1-OE1 3.4Å; Q705-E707 HydrophobicContact CB-CG 4.13Å |
| 706 | G | 80.5 | Confident | 85.4 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | trans | 83.5 | 13.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N703 K704 | N703-G706 WeakPolarHBondContact O-CA 3.37Å; N703-G706 PolarHBondContact O-N 3.22Å; N703-G706 PolarHBondContact OD1-N 3Å; N703-G706 VanDerWaalsContact OD1-N 3.14Å; K704-G706 PolarHBondContact O-N 3.23Å | ||
| 707 | E | 82.6 | Confident | 85.2 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 30% | 0.304 | 20% | 0.199 | S | C | . | . | trans | -84.8 | 134.6 | 179 | -55 | -178.8 | 130.2 | 0 | 0 | 110.1 | F678 K702 N703 Q705 N711 | F678-E707 WeakPolarHBondContact CZ-O 3.44Å; K702-E707 WeakPolarHBondContact CA-O 3.35Å; N703-E707 PolarHBondContact N-O 3.32Å; N703-E707 VanDerWaalsContact N-O 3.1Å; N703-E707 PolarHBondContact ND2-OE2 2.92Å; N703-E707 WeakPolarHBondContact OD1-CA 3.27Å; N703-E707 WeakPolarHBondContact OD1-CB 3.45Å; N703-E707 PolarHBondContact OD1-N 3.1Å; N703-E707 PolarHBondContact OD1-O 3.49Å; Q705-E707 HydrophobicContact CB-CG 4.13Å; E707-N711 HydrophobicContact CB-CB 4.09Å | ||
| 708 | Y | 87.8 | Confident | 84.7 | Confident | 37 Ų | 37 | 44 Ų | 44 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -89.9 | 163.4 | 169.4 | -64.6 | -86.3 | 0 | 0 | 0 | 109.7 | K702 S710 N711 L754 | K702-Y708 HydrophobicContact CB-CD1 4.27Å; K702-Y708 HydrophobicContact CB-CE1 3.92Å; K702-Y708 HydrophobicContact CD-CE1 4.48Å; K702-Y708 HydrophobicContact CD-CE2 4.39Å; K702-Y708 HydrophobicContact CG-CE1 4.38Å; Y708-S710 PolarHBondContact O-N 2.87Å; Y708-S710 VanDerWaalsContact O-N 3.08Å; Y708-N711 WeakPolarHBondContact CB-OD1 3.38Å; Y708-N711 PolarHBondContact N-OD1 2.88Å; Y708-N711 WeakPolarHBondContact O-CA 3.47Å; Y708-N711 VanDerWaalsContact O-CB 3.23Å; Y708-N711 WeakPolarHBondContact O-CB 3.27Å; Y708-N711 PolarHBondContact O-N 3.05Å; Y708-N711 PolarHBondContact O-OD1 3.08Å; Y708-L754 HydrophobicContact CD1-CD2 4.04Å; Y708-L754 HydrophobicContact CD2-CB 4.41Å; Y708-L754 HydrophobicContact CD2-CD2 3.98Å; Y708-L754 HydrophobicContact CE1-CD2 3.58Å; Y708-L754 HydrophobicContact CE2-CB 4.48Å; Y708-L754 HydrophobicContact CE2-CD2 3.51Å; Y708-L754 HydrophobicContact CG-CD2 4.22Å |
| 709 | L | 88.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.5 | -32.8 | 176.7 | -173.3 | 74.2 | 0 | 0 | 0 | 113.2 | L677 F678 I681 L699 N711 L712 L713 I740 W751 | L677-L709 HydrophobicContact CD2-CD1 4.11Å; L677-L709 HydrophobicContact CD2-CD2 3.58Å; L677-L709 HydrophobicContact CG-CD1 3.91Å; L677-L709 HydrophobicContact CG-CD2 4.25Å; F678-L709 HydrophobicContact CD2-CD1 4.05Å; F678-L709 HydrophobicContact CE2-CB 4.04Å; F678-L709 HydrophobicContact CE2-CD1 4.1Å; F678-L709 HydrophobicContact CZ-CB 4.45Å; I681-L709 HydrophobicContact CD1-CD1 3.45Å; I681-L709 VanDerWaalsContact CD1-CD1 3.45Å; I681-L709 HydrophobicContact CD1-CG 4.09Å; I681-L709 HydrophobicContact CG1-CD1 4.38Å; L699-L709 HydrophobicContact CB-CD2 4.43Å; L699-L709 HydrophobicContact CD2-CD2 3.67Å; L709-N711 VanDerWaalsContact C-N 3.27Å; L709-N711 PolarHBondContact O-N 3.47Å; L709-L712 PolarHBondContact O-N 3.3Å; L709-L713 HydrophobicContact CD2-CD1 4.41Å; L709-L713 HydrophobicContact CG-CD1 4.04Å; L709-L713 WeakPolarHBondContact O-CG 3.08Å; L709-L713 PolarHBondContact O-N 2.85Å; L709-L713 VanDerWaalsContact O-N 3.08Å; L709-I740 HydrophobicContact CD2-CD1 4.37Å; L709-W751 HydrophobicContact CB-CZ2 3.95Å; L709-W751 HydrophobicContact CD2-CZ2 4.1Å; L709-W751 HydrophobicContact CG-CZ2 4.22Å |
| 710 | S | 87 | Confident | 83.2 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.3 | -32.4 | 175.2 | 55.5 | 0 | 0 | 0 | 0 | 113 | Y708 D714 | Y708-S710 PolarHBondContact O-N 2.87Å; Y708-S710 VanDerWaalsContact O-N 3.08Å; S710-D714 PolarHBondContact O-N 3.13Å |
| 711 | N | 85.1 | Confident | 82.1 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 176.9 | -61.3 | 95.1 | 0 | 0 | 0 | 112.2 | E707 Y708 L709 Q715 R756 | E707-N711 HydrophobicContact CB-CB 4.09Å; Y708-N711 WeakPolarHBondContact CB-OD1 3.38Å; Y708-N711 PolarHBondContact N-OD1 2.88Å; Y708-N711 WeakPolarHBondContact O-CA 3.47Å; Y708-N711 VanDerWaalsContact O-CB 3.23Å; Y708-N711 WeakPolarHBondContact O-CB 3.27Å; Y708-N711 PolarHBondContact O-N 3.05Å; Y708-N711 PolarHBondContact O-OD1 3.08Å; L709-N711 VanDerWaalsContact C-N 3.27Å; L709-N711 PolarHBondContact O-N 3.47Å; N711-Q715 WeakPolarHBondContact O-CG 3.45Å; N711-Q715 PolarHBondContact O-N 2.92Å; N711-Q715 PolarHBondContact O-NE2 3.15Å; N711-R756 PolarHBondContact ND2-NE 2.67Å |
| 712 | L | 85 | Confident | 81.1 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 175.5 | -93.1 | 156.5 | 0 | 0 | 0 | 111.2 | F678 I681 H682 L709 D714 Q715 W716 | F678-L712 HydrophobicContact CB-CD1 4.32Å; F678-L712 HydrophobicContact CD1-CD1 3.11Å; F678-L712 HydrophobicContact CE1-CD1 3.36Å; F678-L712 HydrophobicContact CG-CD1 3.77Å; F678-L712 HydrophobicContact CZ-CD1 4.22Å; I681-L712 HydrophobicContact CG2-CB 4.09Å; H682-L712 HydrophobicContact CB-CD2 4.41Å; L709-L712 PolarHBondContact O-N 3.3Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 PolarHBondContact O-N 2.92Å; L712-Q715 PolarHBondContact O-N 3.1Å; L712-Q715 VanDerWaalsContact O-N 3.09Å; L712-W716 PolarHBondContact O-N 3.29Å |
| 713 | L | 88.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 177.9 | -74.5 | 162.1 | 0 | 0 | 0 | 113 | I681 L709 Q715 W716 F733 L736 L737 I740 W751 L817 | I681-L713 HydrophobicContact CD1-CD1 4.23Å; I681-L713 HydrophobicContact CD1-CD2 3.59Å; I681-L713 HydrophobicContact CD1-CG 3.77Å; I681-L713 HydrophobicContact CG2-CD2 4.37Å; L709-L713 HydrophobicContact CD2-CD1 4.41Å; L709-L713 HydrophobicContact CG-CD1 4.04Å; L709-L713 WeakPolarHBondContact O-CG 3.08Å; L709-L713 PolarHBondContact O-N 2.85Å; L709-L713 VanDerWaalsContact O-N 3.08Å; L713-Q715 PolarHBondContact O-N 3.11Å; L713-W716 PolarHBondContact O-N 3.5Å; L713-F733 HydrophobicContact CB-CZ 4.37Å; L713-F733 HydrophobicContact CD2-CD2 4.35Å; L713-F733 HydrophobicContact CD2-CE2 3.4Å; L713-F733 HydrophobicContact CD2-CZ 3.78Å; L713-F733 WeakPolarHBondContact O-CZ 3.36Å; L713-L736 HydrophobicContact CD2-CD2 4.03Å; L713-L737 HydrophobicContact CD1-CD2 4.39Å; L713-L737 HydrophobicContact CD2-CD2 4.34Å; L713-I740 HydrophobicContact CD1-CD1 3.6Å; L713-W751 HydrophobicContact CD1-CH2 3.61Å; L713-W751 HydrophobicContact CD1-CZ2 4.32Å; L713-L817 HydrophobicContact CB-CD1 4.1Å |
| 714 | D | 83.3 | Confident | 79.7 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -31.3 | 174.2 | -89.6 | -21 | 0 | 0 | 0 | 112.3 | S710 L712 R756 L817 R820 | S710-D714 PolarHBondContact O-N 3.13Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 PolarHBondContact O-N 2.92Å; D714-R756 IonicContact OD2-NH2 3.76Å; D714-R756 PolarHBondContact OD2-NH2 3.32Å; D714-L817 WeakPolarHBondContact OD1-CD1 3.42Å; D714-L817 WeakPolarHBondContact OD1-CG 3.27Å; D714-L817 PolarHBondContact OD1-N 3.31Å; D714-R820 PolarHBondContact O-NH1 3.39Å |
| 715 | Q | 82.4 | Confident | 79.9 | Confident | 114 Ų | 114 | 58.6 Ų | 58.6 | 53% | 0.533 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -91.2 | -14.2 | -178 | -65.7 | -178.4 | 57.4 | 0 | 0 | 113.4 | N711 L712 L713 E717 | N711-Q715 WeakPolarHBondContact O-CG 3.45Å; N711-Q715 PolarHBondContact O-N 2.92Å; N711-Q715 PolarHBondContact O-NE2 3.15Å; L712-Q715 PolarHBondContact O-N 3.1Å; L712-Q715 VanDerWaalsContact O-N 3.09Å; L713-Q715 PolarHBondContact O-N 3.11Å; Q715-E717 PolarHBondContact O-N 3.05Å |
| 716 | W | 87.3 | Confident | 80.2 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 6% | 0.064 | 30% | 0.303 | C | S | . | . | trans | -63.1 | 131.1 | -177.6 | -173.8 | 88.9 | 0 | 0 | 0 | 111.3 | L686 L712 L713 P718 Q729 F733 | L686-W716 HydrophobicContact CD1-CH2 3.92Å; L686-W716 HydrophobicContact CD1-CZ2 3.58Å; L686-W716 HydrophobicContact CD2-CZ2 4.01Å; L686-W716 HydrophobicContact CG-CZ2 4.08Å; L712-W716 PolarHBondContact O-N 3.29Å; L713-W716 PolarHBondContact O-N 3.5Å; W716-P718 HydrophobicContact CH2-CB 4.24Å; W716-P718 HydrophobicContact CH2-CG 3.88Å; W716-P718 HydrophobicContact CZ3-CG 3.96Å; W716-Q729 HydrophobicContact CH2-CB 4.03Å; W716-Q729 HydrophobicContact CZ2-CB 4.38Å; W716-F733 HydrophobicContact CB-CD2 4.47Å; W716-F733 HydrophobicContact CB-CE2 3.64Å; W716-F733 HydrophobicContact CB-CZ 4.05Å; W716-F733 AromaticContact CD2-CD2 3.42Å; W716-F733 HydrophobicContact CD2-CD2 3.42Å; W716-F733 VanDerWaalsContact CD2-CD2 3.42Å; W716-F733 AromaticContact CD2-CE2 3.5Å; W716-F733 HydrophobicContact CD2-CE2 3.5Å; W716-F733 HydrophobicContact CD2-CG 4.13Å; W716-F733 HydrophobicContact CD2-CZ 4.29Å; W716-F733 AromaticContact CE2-CD2 3.99Å; W716-F733 HydrophobicContact CE3-CB 4.12Å; W716-F733 AromaticContact CE3-CD1 3.93Å; W716-F733 HydrophobicContact CE3-CD1 3.93Å; W716-F733 AromaticContact CE3-CD2 3.26Å; W716-F733 HydrophobicContact CE3-CD2 3.26Å; W716-F733 HydrophobicContact CE3-CE1 4.1Å; W716-F733 AromaticContact CE3-CE2 3.46Å; W716-F733 HydrophobicContact CE3-CE2 3.46Å; W716-F733 VanDerWaalsContact CE3-CE2 3.46Å; W716-F733 AromaticContact CE3-CG 3.5Å; W716-F733 HydrophobicContact CE3-CG 3.5Å; W716-F733 VanDerWaalsContact CE3-CG 3.5Å; W716-F733 AromaticContact CE3-CZ 3.89Å; W716-F733 HydrophobicContact CE3-CZ 3.89Å; W716-F733 AromaticContact CG-CD2 3.94Å; W716-F733 HydrophobicContact CG-CD2 3.94Å; W716-F733 AromaticContact CG-CE2 3.57Å; W716-F733 HydrophobicContact CG-CE2 3.57Å; W716-F733 HydrophobicContact CG-CZ 4.37Å; W716-F733 HydrophobicContact CH2-CB 3.87Å; W716-F733 HydrophobicContact CH2-CD2 4.25Å; W716-F733 HydrophobicContact CH2-CG 4.18Å; W716-F733 HydrophobicContact CZ2-CD2 4.4Å; W716-F733 HydrophobicContact CZ3-CB 3.62Å; W716-F733 HydrophobicContact CZ3-CD1 4.03Å; W716-F733 AromaticContact CZ3-CD2 3.7Å; W716-F733 HydrophobicContact CZ3-CD2 3.7Å; W716-F733 HydrophobicContact CZ3-CE2 4.33Å; W716-F733 AromaticContact CZ3-CG 3.51Å; W716-F733 HydrophobicContact CZ3-CG 3.51Å | ||
| 717 | E | 82.7 | Confident | 80 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | trans | -134.2 | 147.5 | 173.2 | -66.1 | -173.8 | 170.4 | 0 | 0 | 108.7 | Q715 T719 R820 | Q715-E717 PolarHBondContact O-N 3.05Å; E717-T719 WeakPolarHBondContact O-CG2 3.45Å; E717-T719 PolarHBondContact O-N 3.03Å; E717-R820 IonicContact OE1-NH2 3.97Å; E717-R820 PolarHBondContact OE1-NH2 3.17Å | ||
| 718 | P | 81.1 | Confident | 80 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | trans | -57.2 | 130.2 | 176.4 | -22.4 | 32.1 | 0 | 0 | 0 | 111.2 | W716 F726 Q729 R730 | W716-P718 HydrophobicContact CH2-CB 4.24Å; W716-P718 HydrophobicContact CH2-CG 3.88Å; W716-P718 HydrophobicContact CZ3-CG 3.96Å; P718-F726 HydrophobicContact CB-CB 4.24Å; P718-F726 HydrophobicContact CB-CD1 3.7Å; P718-F726 HydrophobicContact CB-CE1 4.34Å; P718-F726 HydrophobicContact CB-CG 4.13Å; P718-Q729 VanDerWaalsContact CA-OE1 3.28Å; P718-Q729 HydrophobicContact CB-CB 4.41Å; P718-R730 HydrophobicContact CG-CG 3.78Å | ||
| 719 | T | 77.1 | Confident | 79.9 | Confident | 60 Ų | 60 | 62 Ų | 62 | 37% | 0.368 | 33% | 0.328 | S | S | . | . | trans | -110.5 | 150.6 | -178.7 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | E717 H721 A722 Q729 | E717-T719 WeakPolarHBondContact O-CG2 3.45Å; E717-T719 PolarHBondContact O-N 3.03Å; T719-H721 PolarHBondContact O-N 2.83Å; T719-A722 PolarHBondContact O-N 3.35Å; T719-A722 WeakPolarHBondContact OG1-CB 3.48Å; T719-Q729 VanDerWaalsContact N-OE1 3.11Å; T719-Q729 PolarHBondContact O-NE2 3.33Å; T719-Q729 PolarHBondContact O-OE1 3.07Å | ||
| 720 | R | 70.6 | Confident | 79.8 | Confident | 219 Ų | 219 | 65.4 Ų | 65.4 | 83% | 0.826 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.3 | 177.5 | -87.9 | -172.4 | -99.5 | -107.5 | -1 | 113.7 | F726 | R720-F726 HydrophobicContact CG-CE1 4.31Å; R720-F726 HydrophobicContact CG-CZ 3.92Å |
| 721 | H | 65.3 | Low | 79.8 | Confident | 177 Ų | 177 | 67.9 Ų | 67.9 | 82% | 0.819 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -13.1 | -175.5 | -56.8 | -60.6 | 0 | 0 | 0 | 113.3 | T719 | T719-H721 PolarHBondContact O-N 2.83Š|
| 722 | A | 64.9 | Low | 80 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -78.1 | 149.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T719 Q729 | T719-A722 PolarHBondContact O-N 3.35Å; T719-A722 WeakPolarHBondContact OG1-CB 3.48Å; A722-Q729 PolarHBondContact O-NE2 3.11Å |
| 723 | C | 65.8 | Low | 80.3 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 73% | 0.73 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -72.1 | 137.4 | -176.2 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 724 | G | 72.6 | Confident | 80.4 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 94.4 | 166.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E728 Q729 | G724-E728 WeakPolarHBondContact CA-OE2 3.26Å; G724-Q729 PolarHBondContact O-NE2 2.88Å |
| 725 | T | 80.8 | Confident | 80.9 | Confident | 77 Ų | 77 | 76.8 Ų | 76.8 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | trans | -64.4 | 158 | 177.6 | 66.6 | 0 | 0 | 0 | 0 | 111 | A727 E728 Q729 | T725-A727 PolarHBondContact O-N 3.47Å; T725-A727 VanDerWaalsContact O-N 3.12Å; T725-E728 PolarHBondContact N-OE2 2.92Å; T725-E728 WeakPolarHBondContact O-CB 3.39Å; T725-E728 PolarHBondContact O-N 2.76Å; T725-E728 VanDerWaalsContact OG1-CG 3.31Å; T725-E728 WeakPolarHBondContact OG1-CG 3.25Å; T725-E728 PolarHBondContact OG1-N 3.24Å; T725-E728 VanDerWaalsContact OG1-N 3.1Å; T725-Q729 WeakPolarHBondContact O-CG 3.45Å; T725-Q729 PolarHBondContact O-N 3.31Å | ||
| 726 | F | 84.1 | Confident | 81.4 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 41% | 0.408 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.9 | -29.9 | 173.8 | -65.5 | -25.4 | 0 | 0 | 0 | 112.5 | P718 R720 R730 | P718-F726 HydrophobicContact CB-CB 4.24Å; P718-F726 HydrophobicContact CB-CD1 3.7Å; P718-F726 HydrophobicContact CB-CE1 4.34Å; P718-F726 HydrophobicContact CB-CG 4.13Å; R720-F726 HydrophobicContact CG-CE1 4.31Å; R720-F726 HydrophobicContact CG-CZ 3.92Å; F726-R730 WeakPolarHBondContact O-CB 3.44Å; F726-R730 WeakPolarHBondContact O-CG 3.46Å; F726-R730 PolarHBondContact O-N 3.31Å |
| 727 | A | 78.3 | Confident | 81.6 | Confident | 70 Ų | 70 | 72 Ų | 72 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.4 | -46.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T725 R730 A731 | T725-A727 PolarHBondContact O-N 3.47Å; T725-A727 VanDerWaalsContact O-N 3.12Å; A727-R730 PolarHBondContact O-N 3.41Å; A727-A731 WeakPolarHBondContact O-CB 3.19Å; A727-A731 PolarHBondContact O-N 3.47Å |
| 728 | E | 81.7 | Confident | 82 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 50% | 0.495 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 175.7 | -72.9 | 166.3 | -179 | 0 | 0 | 112.5 | G724 T725 A731 K732 | G724-E728 WeakPolarHBondContact CA-OE2 3.26Å; T725-E728 PolarHBondContact N-OE2 2.92Å; T725-E728 WeakPolarHBondContact O-CB 3.39Å; T725-E728 PolarHBondContact O-N 2.76Å; T725-E728 VanDerWaalsContact OG1-CG 3.31Å; T725-E728 WeakPolarHBondContact OG1-CG 3.25Å; T725-E728 PolarHBondContact OG1-N 3.24Å; T725-E728 VanDerWaalsContact OG1-N 3.1Å; E728-A731 PolarHBondContact O-N 2.94Å; E728-K732 PolarHBondContact O-N 3.14Å |
| 729 | Q | 84.6 | Confident | 82.5 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.019 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.3 | -66.4 | -179.4 | 31.5 | 0 | 0 | 110.8 | L686 W716 P718 T719 A722 G724 T725 A731 K732 F733 | L686-Q729 HydrophobicContact CD1-CB 4.33Å; L686-Q729 WeakPolarHBondContact CD1-O 3.27Å; W716-Q729 HydrophobicContact CH2-CB 4.03Å; W716-Q729 HydrophobicContact CZ2-CB 4.38Å; P718-Q729 VanDerWaalsContact CA-OE1 3.28Å; P718-Q729 HydrophobicContact CB-CB 4.41Å; T719-Q729 VanDerWaalsContact N-OE1 3.11Å; T719-Q729 PolarHBondContact O-NE2 3.33Å; T719-Q729 PolarHBondContact O-OE1 3.07Å; A722-Q729 PolarHBondContact O-NE2 3.11Å; G724-Q729 PolarHBondContact O-NE2 2.88Å; T725-Q729 WeakPolarHBondContact O-CG 3.45Å; T725-Q729 PolarHBondContact O-N 3.31Å; Q729-A731 VanDerWaalsContact C-N 3.35Å; Q729-A731 PolarHBondContact O-N 3.46Å; Q729-K732 PolarHBondContact O-N 3.07Å; Q729-F733 VanDerWaalsContact O-CB 3.29Å; Q729-F733 WeakPolarHBondContact O-CB 3.42Å; Q729-F733 PolarHBondContact O-N 3.46Å |
| 730 | R | 87.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 27% | 0.268 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 175.8 | -72.8 | 178.1 | -155.6 | -162.2 | 6.5 | 112.4 | P718 F726 A727 F733 S734 | P718-R730 HydrophobicContact CG-CG 3.78Å; F726-R730 WeakPolarHBondContact O-CB 3.44Å; F726-R730 WeakPolarHBondContact O-CG 3.46Å; F726-R730 PolarHBondContact O-N 3.31Å; A727-R730 PolarHBondContact O-N 3.41Å; R730-F733 PolarHBondContact O-N 2.91Å; R730-S734 WeakPolarHBondContact O-CB 3.49Å; R730-S734 PolarHBondContact O-N 3.37Å; R730-S734 PolarHBondContact O-OG 2.72Å |
| 731 | A | 87.5 | Confident | 84.2 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 49% | 0.488 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A727 E728 Q729 F733 S734 E735 | A727-A731 WeakPolarHBondContact O-CB 3.19Å; A727-A731 PolarHBondContact O-N 3.47Å; E728-A731 PolarHBondContact O-N 2.94Å; Q729-A731 VanDerWaalsContact C-N 3.35Å; Q729-A731 PolarHBondContact O-N 3.46Å; A731-F733 VanDerWaalsContact C-N 3.35Å; A731-F733 PolarHBondContact O-N 2.92Å; A731-S734 WeakPolarHBondContact O-CB 3.22Å; A731-S734 PolarHBondContact O-N 3.42Å; A731-E735 PolarHBondContact O-N 3.45Å |
| 732 | K | 88.9 | Confident | 85.4 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 34% | 0.335 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 173.6 | -87.9 | -179.5 | 176.6 | 178.4 | 0 | 112.8 | L686 T687 E728 Q729 S734 E735 L736 | L686-K732 HydrophobicContact CB-CB 4.06Å; L686-K732 HydrophobicContact CB-CD 4.47Å; L686-K732 HydrophobicContact CD1-CB 3.84Å; T687-K732 PolarHBondContact OG1-NZ 3.05Å; E728-K732 PolarHBondContact O-N 3.14Å; Q729-K732 PolarHBondContact O-N 3.07Å; K732-S734 VanDerWaalsContact C-N 3.28Å; K732-S734 PolarHBondContact O-N 2.91Å; K732-E735 WeakPolarHBondContact O-CB 3.23Å; K732-E735 PolarHBondContact O-N 2.88Å; K732-L736 WeakPolarHBondContact O-CB 3.28Å; K732-L736 PolarHBondContact O-N 3.45Å |
| 733 | F | 91.5 | Very high | 86.6 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 7% | 0.07 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 176.1 | -175.4 | -99.4 | 0 | 0 | 0 | 111.1 | L686 L713 W716 Q729 R730 A731 L736 L737 | L686-F733 HydrophobicContact CD1-CB 4.01Å; L686-F733 HydrophobicContact CD2-CB 4.43Å; L686-F733 HydrophobicContact CD2-CD2 3.88Å; L713-F733 HydrophobicContact CB-CZ 4.37Å; L713-F733 HydrophobicContact CD2-CD2 4.35Å; L713-F733 HydrophobicContact CD2-CE2 3.4Å; L713-F733 HydrophobicContact CD2-CZ 3.78Å; L713-F733 WeakPolarHBondContact O-CZ 3.36Å; W716-F733 HydrophobicContact CB-CD2 4.47Å; W716-F733 HydrophobicContact CB-CE2 3.64Å; W716-F733 HydrophobicContact CB-CZ 4.05Å; W716-F733 AromaticContact CD2-CD2 3.42Å; W716-F733 HydrophobicContact CD2-CD2 3.42Å; W716-F733 VanDerWaalsContact CD2-CD2 3.42Å; W716-F733 AromaticContact CD2-CE2 3.5Å; W716-F733 HydrophobicContact CD2-CE2 3.5Å; W716-F733 HydrophobicContact CD2-CG 4.13Å; W716-F733 HydrophobicContact CD2-CZ 4.29Å; W716-F733 AromaticContact CE2-CD2 3.99Å; W716-F733 HydrophobicContact CE3-CB 4.12Å; W716-F733 AromaticContact CE3-CD1 3.93Å; W716-F733 HydrophobicContact CE3-CD1 3.93Å; W716-F733 AromaticContact CE3-CD2 3.26Å; W716-F733 HydrophobicContact CE3-CD2 3.26Å; W716-F733 HydrophobicContact CE3-CE1 4.1Å; W716-F733 AromaticContact CE3-CE2 3.46Å; W716-F733 HydrophobicContact CE3-CE2 3.46Å; W716-F733 VanDerWaalsContact CE3-CE2 3.46Å; W716-F733 AromaticContact CE3-CG 3.5Å; W716-F733 HydrophobicContact CE3-CG 3.5Å; W716-F733 VanDerWaalsContact CE3-CG 3.5Å; W716-F733 AromaticContact CE3-CZ 3.89Å; W716-F733 HydrophobicContact CE3-CZ 3.89Å; W716-F733 AromaticContact CG-CD2 3.94Å; W716-F733 HydrophobicContact CG-CD2 3.94Å; W716-F733 AromaticContact CG-CE2 3.57Å; W716-F733 HydrophobicContact CG-CE2 3.57Å; W716-F733 HydrophobicContact CG-CZ 4.37Å; W716-F733 HydrophobicContact CH2-CB 3.87Å; W716-F733 HydrophobicContact CH2-CD2 4.25Å; W716-F733 HydrophobicContact CH2-CG 4.18Å; W716-F733 HydrophobicContact CZ2-CD2 4.4Å; W716-F733 HydrophobicContact CZ3-CB 3.62Å; W716-F733 HydrophobicContact CZ3-CD1 4.03Å; W716-F733 AromaticContact CZ3-CD2 3.7Å; W716-F733 HydrophobicContact CZ3-CD2 3.7Å; W716-F733 HydrophobicContact CZ3-CE2 4.33Å; W716-F733 AromaticContact CZ3-CG 3.51Å; W716-F733 HydrophobicContact CZ3-CG 3.51Å; Q729-F733 VanDerWaalsContact O-CB 3.29Å; Q729-F733 WeakPolarHBondContact O-CB 3.42Å; Q729-F733 PolarHBondContact O-N 3.46Å; R730-F733 PolarHBondContact O-N 2.91Å; A731-F733 VanDerWaalsContact C-N 3.35Å; A731-F733 PolarHBondContact O-N 2.92Å; F733-L736 WeakPolarHBondContact O-CB 3.43Å; F733-L736 PolarHBondContact O-N 2.95Å; F733-L737 HydrophobicContact CD1-CD1 3.91Å; F733-L737 HydrophobicContact CD1-CG 4.27Å; F733-L737 HydrophobicContact CE1-CD1 3.54Å; F733-L737 HydrophobicContact CE1-CD2 4.46Å; F733-L737 HydrophobicContact CE1-CG 3.99Å; F733-L737 HydrophobicContact CZ-CD1 4.31Å; F733-L737 HydrophobicContact CZ-CD2 4.45Å; F733-L737 HydrophobicContact CZ-CG 4.39Å; F733-L737 WeakPolarHBondContact O-CG 3.24Å; F733-L737 PolarHBondContact O-N 2.96Å |
| 734 | S | 91.7 | Very high | 87.7 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | R730 A731 K732 L737 A738 | R730-S734 WeakPolarHBondContact O-CB 3.49Å; R730-S734 PolarHBondContact O-N 3.37Å; R730-S734 PolarHBondContact O-OG 2.72Å; A731-S734 WeakPolarHBondContact O-CB 3.22Å; A731-S734 PolarHBondContact O-N 3.42Å; K732-S734 VanDerWaalsContact C-N 3.28Å; K732-S734 PolarHBondContact O-N 2.91Å; S734-L737 PolarHBondContact O-N 3.31Å; S734-A738 WeakPolarHBondContact O-CB 3.04Å; S734-A738 PolarHBondContact O-N 3.03Å |
| 735 | E | 93.2 | Very high | 88.5 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 172.6 | -166.8 | -175.9 | 178.2 | 0 | 0 | 111.7 | L690 A731 K732 A738 A739 | L690-E735 HydrophobicContact CD1-CB 4.38Å; L690-E735 HydrophobicContact CD1-CG 3.93Å; L690-E735 HydrophobicContact CD2-CG 4.14Å; L690-E735 WeakPolarHBondContact CD2-OE1 3.5Å; A731-E735 PolarHBondContact O-N 3.45Å; K732-E735 WeakPolarHBondContact O-CB 3.23Å; K732-E735 PolarHBondContact O-N 2.88Å; E735-A738 WeakPolarHBondContact O-CB 3.3Å; E735-A738 PolarHBondContact O-N 3.37Å; E735-A739 PolarHBondContact O-N 3.42Å |
| 736 | L | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 174.6 | 178.2 | 66.2 | 0 | 0 | 0 | 111.5 | I681 L686 A689 L690 V693 L713 K732 F733 A738 A739 I740 | I681-L736 HydrophobicContact CD1-CD2 4.23Å; L686-L736 HydrophobicContact CD2-CD2 4.17Å; A689-L736 HydrophobicContact CB-CD1 4.07Å; A689-L736 HydrophobicContact CB-CD2 4.1Å; L690-L736 HydrophobicContact CB-CD1 4.47Å; L690-L736 HydrophobicContact CD1-CB 4.3Å; L690-L736 HydrophobicContact CD1-CD1 4.43Å; V693-L736 HydrophobicContact CB-CD1 4.42Å; V693-L736 HydrophobicContact CG2-CD1 3.7Å; L713-L736 HydrophobicContact CD2-CD2 4.03Å; K732-L736 WeakPolarHBondContact O-CB 3.28Å; K732-L736 PolarHBondContact O-N 3.45Å; F733-L736 WeakPolarHBondContact O-CB 3.43Å; F733-L736 PolarHBondContact O-N 2.95Å; L736-A738 VanDerWaalsContact C-N 3.31Å; L736-A738 PolarHBondContact O-N 3.06Å; L736-A739 PolarHBondContact O-N 3.22Å; L736-I740 HydrophobicContact CD1-CD1 4.23Å; L736-I740 HydrophobicContact CD1-CG1 4.49Å; L736-I740 HydrophobicContact CG-CD1 4.04Å; L736-I740 VanDerWaalsContact O-CG1 3.3Å; L736-I740 WeakPolarHBondContact O-CG1 3.49Å; L736-I740 PolarHBondContact O-N 3.23Å |
| 737 | L | 91.2 | Very high | 88.9 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.9 | -71.5 | 179.5 | 0 | 0 | 0 | 112.2 | L713 F733 S734 I740 K741 L817 | L713-L737 HydrophobicContact CD1-CD2 4.39Å; L713-L737 HydrophobicContact CD2-CD2 4.34Å; F733-L737 HydrophobicContact CD1-CD1 3.91Å; F733-L737 HydrophobicContact CD1-CG 4.27Å; F733-L737 HydrophobicContact CE1-CD1 3.54Å; F733-L737 HydrophobicContact CE1-CD2 4.46Å; F733-L737 HydrophobicContact CE1-CG 3.99Å; F733-L737 HydrophobicContact CZ-CD1 4.31Å; F733-L737 HydrophobicContact CZ-CD2 4.45Å; F733-L737 HydrophobicContact CZ-CG 4.39Å; F733-L737 WeakPolarHBondContact O-CG 3.24Å; F733-L737 PolarHBondContact O-N 2.96Å; S734-L737 PolarHBondContact O-N 3.31Å; L737-I740 PolarHBondContact O-N 3.35Å; L737-K741 VanDerWaalsContact O-CB 3.3Å; L737-K741 WeakPolarHBondContact O-CB 3.44Å; L737-K741 PolarHBondContact O-N 2.8Å; L737-L817 HydrophobicContact CD1-CD2 3.5Å; L737-L817 HydrophobicContact CD2-CD2 3.51Å; L737-L817 HydrophobicContact CG-CD2 4.16Å |
| 738 | A | 91.3 | Very high | 89.3 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S734 E735 L736 K741 S742 | S734-A738 WeakPolarHBondContact O-CB 3.04Å; S734-A738 PolarHBondContact O-N 3.03Å; E735-A738 WeakPolarHBondContact O-CB 3.3Å; E735-A738 PolarHBondContact O-N 3.37Å; L736-A738 VanDerWaalsContact C-N 3.31Å; L736-A738 PolarHBondContact O-N 3.06Å; A738-K741 PolarHBondContact O-N 3.39Å; A738-S742 WeakPolarHBondContact O-CB 2.8Å; A738-S742 PolarHBondContact O-N 3.07Å |
| 739 | A | 91.9 | Very high | 89.3 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L690 V693 E735 L736 S742 R743 | L690-A739 HydrophobicContact CD1-CB 3.87Å; V693-A739 HydrophobicContact CG1-CB 4.02Å; E735-A739 PolarHBondContact O-N 3.42Å; L736-A739 PolarHBondContact O-N 3.22Å; A739-S742 PolarHBondContact O-N 2.95Å; A739-R743 PolarHBondContact O-N 3.11Å |
| 740 | I | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 175.2 | -71.3 | 172.2 | 0 | 0 | 0 | 110.5 | V693 L699 L709 L713 L736 L737 S742 R743 L744 Y748 W751 | V693-I740 HydrophobicContact CG1-CG1 3.96Å; V693-I740 HydrophobicContact CG2-CD1 4.39Å; V693-I740 HydrophobicContact CG2-CG1 3.88Å; L699-I740 HydrophobicContact CD1-CG2 4.28Å; L699-I740 HydrophobicContact CD2-CG1 4.28Å; L709-I740 HydrophobicContact CD2-CD1 4.37Å; L713-I740 HydrophobicContact CD1-CD1 3.6Å; L736-I740 HydrophobicContact CD1-CD1 4.23Å; L736-I740 HydrophobicContact CD1-CG1 4.49Å; L736-I740 HydrophobicContact CG-CD1 4.04Å; L736-I740 VanDerWaalsContact O-CG1 3.3Å; L736-I740 WeakPolarHBondContact O-CG1 3.49Å; L736-I740 PolarHBondContact O-N 3.23Å; L737-I740 PolarHBondContact O-N 3.35Å; I740-S742 VanDerWaalsContact C-N 3.32Å; I740-S742 PolarHBondContact O-N 2.81Å; I740-R743 PolarHBondContact O-N 3.08Å; I740-R743 VanDerWaalsContact O-N 3.14Å; I740-L744 HydrophobicContact CG2-CD1 3.66Å; I740-L744 HydrophobicContact CG2-CG 4.46Å; I740-L744 WeakPolarHBondContact O-CB 3.19Å; I740-L744 WeakPolarHBondContact O-CG 3.29Å; I740-L744 PolarHBondContact O-N 3.46Å; I740-Y748 HydrophobicContact CG2-CD2 4.32Å; I740-Y748 HydrophobicContact CG2-CE2 4.01Å; I740-W751 HydrophobicContact CG2-CE3 4.43Å; I740-W751 HydrophobicContact CG2-CH2 3.78Å; I740-W751 HydrophobicContact CG2-CZ2 4.32Å; I740-W751 HydrophobicContact CG2-CZ3 3.86Å |
| 741 | K | 90.1 | Very high | 89.3 | Confident | 123 Ų | 123 | 64.2 Ų | 64.2 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 177 | -173.2 | 174.9 | -177.6 | -176.4 | 0 | 111.8 | L737 A738 R743 G745 Y748 | L737-K741 VanDerWaalsContact O-CB 3.3Å; L737-K741 WeakPolarHBondContact O-CB 3.44Å; L737-K741 PolarHBondContact O-N 2.8Å; A738-K741 PolarHBondContact O-N 3.39Å; K741-R743 VanDerWaalsContact C-N 3.31Å; K741-R743 PolarHBondContact O-N 3.37Å; K741-G745 PolarHBondContact O-N 3.1Å; K741-Y748 VanDerWaalsContact CA-CD2 3.44Å; K741-Y748 HydrophobicContact CB-CD1 4.47Å; K741-Y748 HydrophobicContact CB-CD2 3.77Å; K741-Y748 HydrophobicContact CB-CE1 4.45Å; K741-Y748 HydrophobicContact CB-CE2 3.75Å; K741-Y748 HydrophobicContact CB-CG 4.13Å; K741-Y748 HydrophobicContact CD-CD1 4.16Å; K741-Y748 HydrophobicContact CD-CE1 4.09Å; K741-Y748 HydrophobicContact CG-CD1 3.88Å; K741-Y748 HydrophobicContact CG-CD2 3.97Å; K741-Y748 HydrophobicContact CG-CE1 4.14Å; K741-Y748 HydrophobicContact CG-CE2 4.22Å; K741-Y748 HydrophobicContact CG-CG 3.78Å |
| 742 | S | 90.2 | Very high | 88.9 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.8 | -36.6 | 175.2 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | A738 A739 I740 | A738-S742 WeakPolarHBondContact O-CB 2.8Å; A738-S742 PolarHBondContact O-N 3.07Å; A739-S742 PolarHBondContact O-N 2.95Å; I740-S742 VanDerWaalsContact C-N 3.32Å; I740-S742 PolarHBondContact O-N 2.81Å |
| 743 | R | 91.5 | Very high | 88.3 | Confident | 99 Ų | 99 | 63.6 Ų | 63.6 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -75.5 | -36.9 | 178.9 | -103.5 | -160.9 | 74.5 | -176.4 | 3.3 | 114 | V693 G696 A697 L699 A739 I740 K741 | V693-R743 WeakPolarHBondContact O-CD 3.25Å; V693-R743 PolarHBondContact O-NH1 3.21Å; G696-R743 PolarHBondContact O-NH1 3.18Å; G696-R743 VanDerWaalsContact O-NH1 3.09Å; G696-R743 PolarHBondContact O-NH2 3.29Å; A697-R743 VanDerWaalsContact N-NH1 3.13Å; A697-R743 PolarHBondContact O-NH1 2.84Å; A697-R743 PolarHBondContact O-NH2 2.92Å; L699-R743 HydrophobicContact CD1-CB 4.01Å; A739-R743 PolarHBondContact O-N 3.11Å; I740-R743 PolarHBondContact O-N 3.08Å; I740-R743 VanDerWaalsContact O-N 3.14Å; K741-R743 VanDerWaalsContact C-N 3.31Å; K741-R743 PolarHBondContact O-N 3.37Å |
| 744 | L | 87.7 | Confident | 87.4 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -80.6 | -26.4 | -178.8 | -70.1 | 171.1 | 0 | 0 | 0 | 112.5 | L699 W700 I740 D746 E747 Y748 W751 | L699-L744 HydrophobicContact CB-CD2 4.33Å; L699-L744 HydrophobicContact CD1-CD1 4.13Å; L699-L744 HydrophobicContact CD1-CD2 3.94Å; L699-L744 HydrophobicContact CD1-CG 3.72Å; W700-L744 HydrophobicContact CD2-CD2 4.33Å; W700-L744 HydrophobicContact CH2-CD2 3.34Å; W700-L744 HydrophobicContact CZ2-CD2 3.03Å; W700-L744 HydrophobicContact CZ3-CD2 4.09Å; I740-L744 HydrophobicContact CG2-CD1 3.66Å; I740-L744 HydrophobicContact CG2-CG 4.46Å; I740-L744 WeakPolarHBondContact O-CB 3.19Å; I740-L744 WeakPolarHBondContact O-CG 3.29Å; I740-L744 PolarHBondContact O-N 3.46Å; L744-D746 PolarHBondContact O-N 3.45Å; L744-E747 WeakPolarHBondContact O-CB 3.44Å; L744-E747 PolarHBondContact O-N 2.82Å; L744-Y748 HydrophobicContact CB-CD2 4.3Å; L744-Y748 HydrophobicContact CD1-CD2 3.85Å; L744-W751 HydrophobicContact CD1-CB 3.79Å; L744-W751 HydrophobicContact CD1-CD2 3.41Å; L744-W751 VanDerWaalsContact CD1-CD2 3.41Å; L744-W751 HydrophobicContact CD1-CE3 3.64Å; L744-W751 HydrophobicContact CD1-CG 3.49Å; L744-W751 VanDerWaalsContact CD1-CG 3.49Å; L744-W751 HydrophobicContact CD1-CZ3 4.32Å; L744-W751 HydrophobicContact CD2-CB 4.5Å; L744-W751 HydrophobicContact CD2-CG 4.4Å |
| 745 | G | 89.5 | Confident | 85.9 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | 55.4 | -128.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K741 E747 Y748 | K741-G745 PolarHBondContact O-N 3.1Å; G745-E747 PolarHBondContact O-N 3.4Å; G745-Y748 VanDerWaalsContact O-CB 3.27Å; G745-Y748 WeakPolarHBondContact O-CB 3.37Å; G745-Y748 PolarHBondContact O-N 2.84Å; G745-Y748 VanDerWaalsContact O-N 3.09Å |
| 746 | D | 85.1 | Confident | 84.3 | Confident | 168 Ų | 168 | 74.3 Ų | 74.3 | 90% | 0.898 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.9 | -179.8 | -58.7 | -21.9 | 0 | 0 | 0 | 113 | L744 Y748 | L744-D746 PolarHBondContact O-N 3.45Å; D746-Y748 VanDerWaalsContact C-N 3.31Å |
| 747 | E | 87.7 | Confident | 82 | Confident | 90 Ų | 90 | 80.5 Ų | 80.5 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -81.2 | -9 | 177.8 | -58.3 | -164.3 | 146.6 | 0 | 0 | 113.1 | W700 L744 G745 D749 R750 W751 | W700-E747 WeakPolarHBondContact CZ2-OE2 3.39Å; L744-E747 WeakPolarHBondContact O-CB 3.44Å; L744-E747 PolarHBondContact O-N 2.82Å; G745-E747 PolarHBondContact O-N 3.4Å; E747-D749 PolarHBondContact O-N 3.37Å; E747-R750 WeakPolarHBondContact O-CB 3.48Å; E747-R750 PolarHBondContact O-N 3.39Å; E747-W751 WeakPolarHBondContact O-CB 3.43Å; E747-W751 PolarHBondContact O-N 3.26Å |
| 748 | Y | 87.1 | Confident | 79.6 | Confident | 25 Ų | 25 | 84.5 Ų | 84.5 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.6 | -41.1 | -179.3 | -178.2 | -103.5 | 0 | 0 | 0 | 112.2 | I740 K741 L744 G745 D746 W751 C752 | I740-Y748 HydrophobicContact CG2-CD2 4.32Å; I740-Y748 HydrophobicContact CG2-CE2 4.01Å; K741-Y748 VanDerWaalsContact CA-CD2 3.44Å; K741-Y748 HydrophobicContact CB-CD1 4.47Å; K741-Y748 HydrophobicContact CB-CD2 3.77Å; K741-Y748 HydrophobicContact CB-CE1 4.45Å; K741-Y748 HydrophobicContact CB-CE2 3.75Å; K741-Y748 HydrophobicContact CB-CG 4.13Å; K741-Y748 HydrophobicContact CD-CD1 4.16Å; K741-Y748 HydrophobicContact CD-CE1 4.09Å; K741-Y748 HydrophobicContact CG-CD1 3.88Å; K741-Y748 HydrophobicContact CG-CD2 3.97Å; K741-Y748 HydrophobicContact CG-CE1 4.14Å; K741-Y748 HydrophobicContact CG-CE2 4.22Å; K741-Y748 HydrophobicContact CG-CG 3.78Å; L744-Y748 HydrophobicContact CB-CD2 4.3Å; L744-Y748 HydrophobicContact CD1-CD2 3.85Å; G745-Y748 VanDerWaalsContact O-CB 3.27Å; G745-Y748 WeakPolarHBondContact O-CB 3.37Å; G745-Y748 PolarHBondContact O-N 2.84Å; G745-Y748 VanDerWaalsContact O-N 3.09Å; D746-Y748 VanDerWaalsContact C-N 3.31Å; Y748-W751 HydrophobicContact CD2-CE3 4.26Å; Y748-W751 HydrophobicContact CE2-CE3 4.18Å; Y748-W751 HydrophobicContact CE2-CZ3 4.05Å; Y748-W751 PolarHBondContact O-N 2.89Å; Y748-C752 VanDerWaalsContact CE1-SG 3.58Å; Y748-C752 PolarHBondContact O-N 3.03Å; Y748-C752 PolarHBondContact O-SG 2.89Å |
| 749 | D | 82.3 | Confident | 77 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 178.4 | -86.2 | 7.7 | 0 | 0 | 0 | 112.3 | E747 N753 R818 | E747-D749 PolarHBondContact O-N 3.37Å; D749-N753 WeakPolarHBondContact O-CB 3.15Å; D749-N753 PolarHBondContact O-N 3.06Å; D749-N753 PolarHBondContact O-ND2 3.44Å; D749-R818 IonicContact OD1-CZ 2.88Å; D749-R818 IonicContact OD1-NH2 2.96Å; D749-R818 PolarHBondContact OD1-NH2 2.86Å; D749-R818 IonicContact OD2-NH2 3.19Å; D749-R818 PolarHBondContact OD2-NH2 3.1Å |
| 750 | R | 84.4 | Confident | 74.3 | Confident | 180 Ų | 180 | 94 Ų | 94 | 68% | 0.679 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.4 | -43.4 | 174.1 | -175.1 | -179.3 | 179.2 | -170.8 | -0.3 | 110.5 | E747 N753 L754 | E747-R750 WeakPolarHBondContact O-CB 3.48Å; E747-R750 PolarHBondContact O-N 3.39Å; R750-N753 CarbonylContact O-C 3.51Å; R750-N753 PolarHBondContact O-N 3.03Å; R750-N753 VanDerWaalsContact O-N 3.13Å; R750-L754 PolarHBondContact O-N 2.99Å |
| 751 | W | 86.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 101.3 Ų | 101.3 | 0% | 0.004 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | -179.7 | 179.3 | 85.1 | 0 | 0 | 0 | 113 | L699 W700 L709 L713 I740 L744 E747 Y748 N753 | L699-W751 PolarHBondContact O-NE1 3.43Å; W700-W751 AromaticContact CD1-CD1 3.69Å; W700-W751 AromaticContact NE1-CD1 3.73Å; L709-W751 HydrophobicContact CB-CZ2 3.95Å; L709-W751 HydrophobicContact CD2-CZ2 4.1Å; L709-W751 HydrophobicContact CG-CZ2 4.22Å; L713-W751 HydrophobicContact CD1-CH2 3.61Å; L713-W751 HydrophobicContact CD1-CZ2 4.32Å; I740-W751 HydrophobicContact CG2-CE3 4.43Å; I740-W751 HydrophobicContact CG2-CH2 3.78Å; I740-W751 HydrophobicContact CG2-CZ2 4.32Å; I740-W751 HydrophobicContact CG2-CZ3 3.86Å; L744-W751 HydrophobicContact CD1-CB 3.79Å; L744-W751 HydrophobicContact CD1-CD2 3.41Å; L744-W751 VanDerWaalsContact CD1-CD2 3.41Å; L744-W751 HydrophobicContact CD1-CE3 3.64Å; L744-W751 HydrophobicContact CD1-CG 3.49Å; L744-W751 VanDerWaalsContact CD1-CG 3.49Å; L744-W751 HydrophobicContact CD1-CZ3 4.32Å; L744-W751 HydrophobicContact CD2-CB 4.5Å; L744-W751 HydrophobicContact CD2-CG 4.4Å; E747-W751 WeakPolarHBondContact O-CB 3.43Å; E747-W751 PolarHBondContact O-N 3.26Å; Y748-W751 HydrophobicContact CD2-CE3 4.26Å; Y748-W751 HydrophobicContact CE2-CE3 4.18Å; Y748-W751 HydrophobicContact CE2-CZ3 4.05Å; Y748-W751 PolarHBondContact O-N 2.89Å; W751-N753 PolarHBondContact O-N 3.46Å |
| 752 | C | 79.8 | Confident | 68.7 | Low | 20 Ų | 20 | 104.3 Ų | 104.3 | 14% | 0.135 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -64.3 | -25.3 | 174 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | Y748 | Y748-C752 VanDerWaalsContact CE1-SG 3.58Å; Y748-C752 PolarHBondContact O-N 3.03Å; Y748-C752 PolarHBondContact O-SG 2.89Å |
| 753 | N | 77.4 | Confident | 66 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 16.3 | -173.6 | -67.1 | -48.9 | 0 | 0 | 0 | 113.4 | D749 R750 W751 K755 | D749-N753 WeakPolarHBondContact O-CB 3.15Å; D749-N753 PolarHBondContact O-N 3.06Å; D749-N753 PolarHBondContact O-ND2 3.44Å; R750-N753 CarbonylContact O-C 3.51Å; R750-N753 PolarHBondContact O-N 3.03Å; R750-N753 VanDerWaalsContact O-N 3.13Å; W751-N753 PolarHBondContact O-N 3.46Å; N753-K755 PolarHBondContact O-N 3.41Å |
| 754 | L | 71.2 | Confident | 63 | Low | 51 Ų | 51 | 104.4 Ų | 104.4 | 27% | 0.267 | 54% | 0.539 | S | S | . | . | trans | -57.5 | 131.5 | 175.7 | -106 | 101 | 0 | 0 | 0 | 110.5 | Y708 R750 R756 | Y708-L754 HydrophobicContact CD1-CD2 4.04Å; Y708-L754 HydrophobicContact CD2-CB 4.41Å; Y708-L754 HydrophobicContact CD2-CD2 3.98Å; Y708-L754 HydrophobicContact CE1-CD2 3.58Å; Y708-L754 HydrophobicContact CE2-CB 4.48Å; Y708-L754 HydrophobicContact CE2-CD2 3.51Å; Y708-L754 HydrophobicContact CG-CD2 4.22Å; R750-L754 PolarHBondContact O-N 2.99Å; L754-R756 PolarHBondContact O-N 2.64Å | ||
| 755 | K | 60.7 | Low | 60.2 | Low | 188 Ų | 188 | 111.3 Ų | 111.3 | 82% | 0.817 | 58% | 0.576 | S | S | * | * | trans | -63.3 | 126.2 | 176.9 | -95 | -175.3 | 173.9 | -177.7 | 0 | 109.4 | N753 E757 | N753-K755 PolarHBondContact O-N 3.41Å; K755-E757 PolarHBondContact O-N 3.27Å | ||
| 756 | R | 59.1 | Low | 57.4 | Low | 173 Ų | 173 | 116.3 Ų | 116.3 | 65% | 0.653 | 59% | 0.593 | S | S | * | * | trans | -74.3 | 102.8 | 174.6 | -58.9 | 176.4 | -175.1 | 170.5 | -2.3 | 108.3 | N711 D714 L754 T758 | N711-R756 PolarHBondContact ND2-NE 2.67Å; D714-R756 IonicContact OD2-NH2 3.76Å; D714-R756 PolarHBondContact OD2-NH2 3.32Å; L754-R756 PolarHBondContact O-N 2.64Å; R756-T758 PolarHBondContact O-N 2.83Å | ||
| 757 | E | 45.5 | Very low | 54.7 | Low | 130 Ų | 130 | 113.7 Ų | 113.7 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | trans | -77.5 | 110.9 | 172.5 | -72.2 | 176.3 | 168.6 | 0 | 0 | 108.4 | K702 K755 | K702-E757 IonicContact NZ-OE2 3.17Å; K702-E757 PolarHBondContact NZ-OE2 2.72Å; K755-E757 PolarHBondContact O-N 3.27Å | ||
| 758 | T | 40.8 | Very low | 51.8 | Low | 114 Ų | 114 | 118.1 Ų | 118.1 | 70% | 0.699 | 61% | 0.609 | S | S | * | * | trans | -72.5 | 141.2 | 171 | 44.2 | 0 | 0 | 0 | 0 | 109.8 | R756 E760 | R756-T758 PolarHBondContact O-N 2.83Å; T758-E760 PolarHBondContact O-N 2.8Å; T758-E760 VanDerWaalsContact O-N 3.15Å | ||
| 759 | P | 37 | Very low | 48.9 | Very low | 107 Ų | 107 | 122 Ų | 122 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | trans | -61 | 118.8 | -178.1 | -14.7 | 27.1 | 0 | 0 | 0 | 110.2 | N761 | P759-N761 PolarHBondContact O-N 3.45Š| ||
| 760 | E | 35.1 | Very low | 46.2 | Very low | 167 Ų | 167 | 123.2 Ų | 123.2 | 78% | 0.78 | 66% | 0.655 | S | S | * | * | trans | -76.5 | 112.5 | 174.7 | -68.9 | -173.9 | 169.9 | 0 | 0 | 108.8 | T758 H762 | T758-E760 PolarHBondContact O-N 2.8Å; T758-E760 VanDerWaalsContact O-N 3.15Å; E760-H762 PolarHBondContact O-N 3.09Å; E760-H762 VanDerWaalsContact O-N 3.12Å | ||
| 761 | N | 34.9 | Very low | 43.4 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | trans | -62.1 | 108.7 | 172.7 | -80.7 | -18 | 0 | 0 | 0 | 109.7 | P759 S763 | P759-N761 PolarHBondContact O-N 3.45Å; N761-S763 PolarHBondContact O-N 2.85Å; N761-S763 VanDerWaalsContact O-N 3.08Å | ||
| 762 | H | 30.5 | Very low | 40.5 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 87% | 0.866 | 70% | 0.695 | S | S | * | * | trans | -76.2 | 88.3 | 170.1 | -70.2 | -61.7 | 0 | 0 | 0 | 110.1 | E760 | E760-H762 PolarHBondContact O-N 3.09Å; E760-H762 VanDerWaalsContact O-N 3.12Å | ||
| 763 | S | 32.1 | Very low | 37.8 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | -101.5 | 124.4 | 159.1 | 58.2 | 0 | 0 | 0 | 0 | 109.3 | N761 | N761-S763 PolarHBondContact O-N 2.85Å; N761-S763 VanDerWaalsContact O-N 3.08Å | ||
| 764 | S | 29.5 | Very low | 35.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -29.5 | 133.6 | 166.4 | 50.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 765 | D | 27.9 | Very low | 33.2 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | -178.5 | 158.1 | 111.8 | -93.8 | -10.3 | 0 | 0 | 0 | 113.1 | |||||
| 766 | D | 30.9 | Very low | 31.4 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -55 | 163.3 | -168.6 | -73 | -52.5 | 0 | 0 | 0 | 118.4 | ||||
| 767 | S | 29.4 | Very low | 29.8 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 88.3 | 115.8 | 146.5 | 68.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 768 | E | 25.9 | Very low | 28.7 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 28.8 | 112.6 | 144.1 | -70.8 | -177.1 | 158.1 | 0 | 0 | 120 | ||||
| 769 | S | 27.2 | Very low | 28 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 36.9 | 123 | 136.9 | 62.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 770 | S | 25.8 | Very low | 27.3 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 92.8 | 104.1 | 142.4 | 73.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 771 | V | 24.7 | Very low | 26.7 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | 80.1 | 113.5 | 133.5 | -177.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 772 | T | 24.5 | Very low | 26.3 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 73.3 | 120.2 | 150.9 | 38.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 773 | I | 23.9 | Very low | 25.9 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | 176.9 | 144.8 | 99.9 | -82.1 | 170.6 | 0 | 0 | 0 | 109.8 | |||||
| 774 | K | 25.5 | Very low | 25.5 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | trans | -78.7 | 153.7 | 174.4 | -67.7 | 172 | 170.2 | 176.8 | 0 | 113 | ||||
| 775 | N | 26.3 | Very low | 25.2 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | 169.9 | 119.8 | 115.5 | -83.8 | -19.3 | 0 | 0 | 0 | 116 | |||||
| 776 | N | 22.6 | Very low | 25.1 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | 31 | 130.4 | 137.9 | -64.3 | -13.4 | 0 | 0 | 0 | 123.2 | ||||
| 777 | T | 25.8 | Very low | 25.3 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 91% | 0.908 | 74% | 0.741 | S | S | * | * | -172.9 | 156.5 | 99.8 | 29.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 778 | S | 21.8 | Very low | 25.2 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -98.8 | 158.9 | -161.7 | 50.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 779 | N | 25.7 | Very low | 25.2 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | 126.3 | 93.6 | 146.8 | -69 | -21.1 | 0 | 0 | 0 | 112.7 | ||||
| 780 | Q | 23 | Very low | 25 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 64% | 0.64 | 74% | 0.735 | S | S | * | * | 58.3 | 96.7 | 85.5 | -75 | -162.1 | -6.8 | 0 | 0 | 116.9 | |||||
| 781 | K | 23.7 | Very low | 25 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | 34.9 | 121 | 119.5 | -66.8 | -174.6 | 177 | -174.1 | 0 | 117.6 | |||||
| 782 | S | 25 | Very low | 24.8 | Very low | 71 Ų | 71 | 140 Ų | 140 | 50% | 0.497 | 73% | 0.726 | S | S | . | * | -165 | 100.2 | 121.4 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | K809 | S782-K809 PolarHBondContact OG-NZ 2.87Š| |||
| 783 | Y | 22.6 | Very low | 25 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 53% | 0.533 | 73% | 0.725 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 149.2 | 174.4 | -90 | -103.6 | 0 | 0 | 0 | 113.2 | S525 E528 | S525-Y783 PolarHBondContact O-OH 3.25Å; E528-Y783 HydrophobicContact CB-CD1 4.45Å; E528-Y783 HydrophobicContact CB-CE1 3.86Å; E528-Y783 HydrophobicContact CG-CD1 3.52Å; E528-Y783 HydrophobicContact CG-CE1 3.39Å; E528-Y783 HydrophobicContact CG-CG 4.42Å; E528-Y783 WeakPolarHBondContact OE1-CA 3.41Å; E528-Y783 WeakPolarHBondContact OE1-CD1 3.35Å; E528-Y783 WeakPolarHBondContact OE2-CD1 3.45Å; E528-Y783 WeakPolarHBondContact OE2-CE1 3.28Å |
| 784 | S | 23.8 | Very low | 24.9 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 152.7 | 166.2 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | E528 | E528-S784 PolarHBondContact OE1-N 2.8Å; E528-S784 PolarHBondContact OE1-OG 2.96Å |
| 785 | R | 23.6 | Very low | 24.9 | Very low | 211 Ų | 211 | 133.5 Ų | 133.5 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 125.5 | -173.8 | -77.3 | 173.9 | 171.3 | 168.5 | -4.6 | 111.2 | ||
| 786 | H | 25 | Very low | 24.8 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -82 | 140.5 | 158.1 | -87.6 | -73.8 | 0 | 0 | 0 | 111.2 | ||
| 787 | P | 34.8 | Very low | 24.8 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 130.7 | 173.4 | 34.4 | -26.2 | 0 | 0 | 0 | 111.5 | ||
| 788 | S | 27.2 | Very low | 24.6 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -119.8 | 108.8 | 173.1 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 789 | S | 26.3 | Very low | 24.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 32.2 | 101.8 | 134.8 | 46.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 790 | R | 23.4 | Very low | 24.7 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 68% | 0.683 | 73% | 0.729 | S | S | * | * | trans | -60 | 132.8 | 158.9 | -80.4 | 172 | 164.8 | 165.8 | -5.7 | 111.6 | W800 | R790-W800 PolarHBondContact NH2-O 3.29Š| ||
| 791 | S | 25.8 | Very low | 24.8 | Very low | 77 Ų | 77 | 139.4 Ų | 139.4 | 54% | 0.538 | 74% | 0.74 | S | S | . | * | trans | -103.5 | 128 | 159.2 | 25.4 | 0 | 0 | 0 | 0 | 108.5 | K422 S793 | K422-S791 VanDerWaalsContact NZ-CB 3.29Å; K422-S791 PolarHBondContact NZ-OG 3.37Å; K422-S791 VanDerWaalsContact NZ-OG 3.09Å; S791-S793 PolarHBondContact O-N 3.43Å | ||
| 792 | R | 21.5 | Very low | 25 | Very low | 215 Ų | 215 | 135.3 Ų | 135.3 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -71.5 | 107.6 | 173.3 | -85.5 | 172.9 | 163.1 | 155.9 | -7.4 | 108 | D542 | D542-R792 IonicContact OD2-NH2 3Š| ||
| 793 | S | 27 | Very low | 24.9 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -112.4 | 115.2 | 158.2 | 58.1 | 0 | 0 | 0 | 0 | 107.6 | S791 S795 | S791-S793 PolarHBondContact O-N 3.43Å; S793-S795 PolarHBondContact O-N 2.98Å | ||
| 794 | S | 22.8 | Very low | 25.1 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | trans | -73.4 | 90.3 | 177 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 795 | S | 25.5 | Very low | 25.2 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -134.5 | 126 | 144 | 70.8 | 0 | 0 | 0 | 0 | 105.7 | S793 C797 | S793-S795 PolarHBondContact O-N 2.98Å; S795-C797 VanDerWaalsContact C-N 3.34Å; S795-C797 PolarHBondContact O-N 2.89Å |
| 796 | V | 23.9 | Very low | 25.2 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 95% | 0.945 | 76% | 0.757 | S | S | * | * | trans | -52.5 | 96.6 | 179.1 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 797 | C | 22.8 | Very low | 25.2 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -146 | 117.8 | 165.8 | -109.2 | 0 | 0 | 0 | 0 | 105.7 | S795 T799 | S795-C797 VanDerWaalsContact C-N 3.34Å; S795-C797 PolarHBondContact O-N 2.89Å; C797-T799 PolarHBondContact O-N 3.32Å | ||
| 798 | E | 22.6 | Very low | 24.8 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -55.2 | 115.8 | -168.2 | -64.2 | 172.6 | 159.5 | 0 | 0 | 112.2 | W800 | E798-W800 PolarHBondContact O-N 3.15Š| ||
| 799 | T | 24.6 | Very low | 24.7 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | -88.9 | 98.1 | 178.7 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | C797 | C797-T799 PolarHBondContact O-N 3.32Š| ||
| 800 | W | 23.9 | Very low | 24.6 | Very low | 212 Ų | 212 | 134 Ų | 134 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | trans | 29.8 | 96.8 | 136.7 | -62.1 | 58.8 | 0 | 0 | 0 | 117.8 | R790 E798 | R790-W800 PolarHBondContact NH2-O 3.29Å; E798-W800 PolarHBondContact O-N 3.15Å | ||
| 801 | D | 25.5 | Very low | 24.7 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -78.3 | 116.2 | 158.8 | -84.4 | -30.8 | 0 | 0 | 0 | 110.1 | V803 | D801-V803 PolarHBondContact O-N 2.87Š| ||
| 802 | S | 26.8 | Very low | 24.6 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -78.9 | 105.5 | -179.5 | -62 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 803 | V | 23.8 | Very low | 24.9 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 130.5 | 162.8 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | D801 | D801-V803 PolarHBondContact O-N 2.87Š|
| 804 | P | 26.1 | Very low | 25 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69 | 147.8 | -171.5 | -13.2 | 27.5 | 0 | 0 | 0 | 112.6 | I806 | P804-I806 PolarHBondContact O-N 2.94Š|
| 805 | P | 26.1 | Very low | 25.7 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 60% | 0.597 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -77 | 122.5 | -168.7 | 31.6 | -34.1 | 0 | 0 | 0 | 111.9 | S807 | P805-S807 PolarHBondContact O-N 3.44Š|
| 806 | I | 24.5 | Very low | 26.6 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 82% | 0.821 | 74% | 0.741 | S | S | * | * | trans | -62.1 | 115.1 | 168.1 | -65.4 | 167.9 | 0 | 0 | 0 | 108.2 | P804 S808 | P804-I806 PolarHBondContact O-N 2.94Å; I806-S808 PolarHBondContact O-N 2.93Å; I806-S808 VanDerWaalsContact O-N 3.13Å | ||
| 807 | S | 24.6 | Very low | 27.9 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | trans | -68.1 | 105.2 | 178.6 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | P805 | P805-S807 PolarHBondContact O-N 3.44Š| ||
| 808 | S | 27.1 | Very low | 29.1 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | trans | -112.6 | 85.2 | 171.1 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | I806 T810 | I806-S808 PolarHBondContact O-N 2.93Å; I806-S808 VanDerWaalsContact O-N 3.13Å; S808-T810 PolarHBondContact O-N 3.23Å | ||
| 809 | K | 23.8 | Very low | 30.1 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | trans | -90.3 | 78.6 | 154.8 | -75.8 | -172.1 | -169.2 | 175.1 | 0 | 108.6 | S782 | S782-K809 PolarHBondContact OG-NZ 2.87Š| ||
| 810 | T | 24.5 | Very low | 31.1 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 59% | 0.589 | 66% | 0.664 | S | S | * | * | trans | -140.2 | 110.1 | 157.6 | 37.4 | 0 | 0 | 0 | 0 | 108.1 | S808 F812 | S808-T810 PolarHBondContact O-N 3.23Å; T810-F812 PolarHBondContact O-N 3.29Å | ||
| 811 | K | 25 | Very low | 32.1 | Very low | 183 Ų | 183 | 124.6 Ų | 124.6 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | trans | -62.3 | 84.1 | 172.2 | -72.2 | 173.4 | -177.9 | 162.4 | 0 | 109.1 | ||||
| 812 | F | 25.5 | Very low | 32.9 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | trans | -79.6 | 120.2 | 165.9 | -86.3 | -83.7 | 0 | 0 | 0 | 108.2 | T810 R814 | T810-F812 PolarHBondContact O-N 3.29Å; F812-R814 PolarHBondContact O-N 3.43Å | ||
| 813 | N | 26.9 | Very low | 33.5 | Very low | 166 Ų | 166 | 120 Ų | 120 | 89% | 0.888 | 62% | 0.615 | S | S | * | * | trans | -55.2 | 89.9 | 164 | -95.3 | -28.4 | 0 | 0 | 0 | 108.3 | K815 | N813-K815 PolarHBondContact O-N 2.94Š| ||
| 814 | R | 29.8 | Very low | 34.1 | Very low | 193 Ų | 193 | 121 Ų | 121 | 73% | 0.728 | 62% | 0.615 | S | S | * | * | trans | -70.6 | 114.9 | -178.1 | -77.3 | -178.5 | 176.9 | 176.1 | -4.4 | 108.7 | F812 | F812-R814 PolarHBondContact O-N 3.43Š| ||
| 815 | K | 36.1 | Very low | 34.3 | Very low | 164 Ų | 164 | 122.5 Ų | 122.5 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | trans | -69.8 | 140.1 | -179 | -61.5 | 177.9 | 179.1 | 174 | 0 | 110.3 | N813 S819 | N813-K815 PolarHBondContact O-N 2.94Å; K815-S819 WeakPolarHBondContact CB-OG 3.29Å | ||
| 816 | S | 44.7 | Very low | 34.4 | Very low | 47 Ų | 47 | 123.2 Ų | 123.2 | 33% | 0.329 | 61% | 0.614 | S | S | . | * | trans | -53.7 | 153.3 | 177.6 | 156.1 | 0 | 0 | 0 | 0 | 113.4 | R818 S819 | S816-R818 PolarHBondContact O-N 3.42Å; S816-S819 PolarHBondContact O-N 3.1Å; S816-S819 VanDerWaalsContact O-N 3.13Å; S816-S819 PolarHBondContact O-OG 3Å | ||
| 817 | L | 51.5 | Low | 34.8 | Very low | 36 Ų | 36 | 121.4 Ų | 121.4 | 19% | 0.188 | 61% | 0.61 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -30.6 | -23.3 | 168.4 | -95.3 | 151.7 | 0 | 0 | 0 | 116.6 | L713 D714 L737 S819 | L713-L817 HydrophobicContact CB-CD1 4.1Å; D714-L817 WeakPolarHBondContact OD1-CD1 3.42Å; D714-L817 WeakPolarHBondContact OD1-CG 3.27Å; D714-L817 PolarHBondContact OD1-N 3.31Å; L737-L817 HydrophobicContact CD1-CD2 3.5Å; L737-L817 HydrophobicContact CD2-CD2 3.51Å; L737-L817 HydrophobicContact CG-CD2 4.16Å; L817-S819 PolarHBondContact O-N 3.47Å |
| 818 | R | 48.5 | Very low | 35.2 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 54% | 0.54 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -12.6 | 179.4 | -68.4 | -176.9 | 173.2 | -166.5 | -4.9 | 116.6 | D749 S816 | D749-R818 IonicContact OD1-CZ 2.88Å; D749-R818 IonicContact OD1-NH2 2.96Å; D749-R818 PolarHBondContact OD1-NH2 2.86Å; D749-R818 IonicContact OD2-NH2 3.19Å; D749-R818 PolarHBondContact OD2-NH2 3.1Å; S816-R818 PolarHBondContact O-N 3.42Å |
| 819 | S | 43.7 | Very low | 35.3 | Very low | 68 Ų | 68 | 123.1 Ų | 123.1 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | trans | -138.8 | 14.9 | -164.6 | 66.7 | 0 | 0 | 0 | 0 | 118 | K815 S816 L817 N821 | K815-S819 WeakPolarHBondContact CB-OG 3.29Å; S816-S819 PolarHBondContact O-N 3.1Å; S816-S819 VanDerWaalsContact O-N 3.13Å; S816-S819 PolarHBondContact O-OG 3Å; L817-S819 PolarHBondContact O-N 3.47Å; S819-N821 PolarHBondContact O-N 3.4Å; S819-N821 VanDerWaalsContact O-N 3.12Å | ||
| 820 | R | 45 | Very low | 35.7 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 39% | 0.389 | 61% | 0.606 | S | S | . | * | trans | -79.3 | 94.9 | 175.4 | -93.3 | 173.2 | 148.8 | 149.7 | -12.4 | 109.9 | D714 E717 | D714-R820 PolarHBondContact O-NH1 3.39Å; E717-R820 IonicContact OE1-NH2 3.97Å; E717-R820 PolarHBondContact OE1-NH2 3.17Å | ||
| 821 | N | 44.2 | Very low | 35.9 | Very low | 107 Ų | 107 | 126 Ų | 126 | 57% | 0.572 | 62% | 0.615 | S | S | * | * | trans | -83.5 | 114.4 | 163.1 | -159.3 | 29.8 | 0 | 0 | 0 | 107.9 | S819 D823 | S819-N821 PolarHBondContact O-N 3.4Å; S819-N821 VanDerWaalsContact O-N 3.12Å; N821-D823 PolarHBondContact ND2-OD2 3.36Å; N821-D823 VanDerWaalsContact ND2-OD2 3.11Å; N821-D823 PolarHBondContact O-N 2.76Å; N821-D823 PolarHBondContact OD1-OD2 3.23Å | ||
| 822 | W | 43.4 | Very low | 36.1 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 27% | 0.273 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -76.9 | -11.1 | -171.2 | -68.7 | 106.5 | 0 | 0 | 0 | 113.7 | D824 L825 | W822-D824 PolarHBondContact O-N 2.67Å; W822-L825 PolarHBondContact O-N 2.91Å |
| 823 | D | 39.2 | Very low | 36.3 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -60.3 | -26.9 | -177.8 | -59.1 | -28.6 | 0 | 0 | 0 | 113.3 | N821 L825 M826 | N821-D823 PolarHBondContact ND2-OD2 3.36Å; N821-D823 VanDerWaalsContact ND2-OD2 3.11Å; N821-D823 PolarHBondContact O-N 2.76Å; N821-D823 PolarHBondContact OD1-OD2 3.23Å; D823-L825 PolarHBondContact O-N 3.38Å; D823-L825 VanDerWaalsContact O-N 3.15Å; D823-M826 WeakPolarHBondContact O-CG 3.36Å; D823-M826 PolarHBondContact O-N 2.84Å |
| 824 | D | 36.9 | Very low | 36.5 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 83% | 0.829 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -71.1 | -8 | -178.6 | -78.4 | -15.2 | 0 | 0 | 0 | 114.1 | W822 | W822-D824 PolarHBondContact O-N 2.67Š|
| 825 | L | 30.4 | Very low | 36.5 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 72% | 0.723 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -115.3 | 12.3 | 179.5 | -83.1 | 160.4 | 0 | 0 | 0 | 113.6 | W822 D823 V827 | W822-L825 PolarHBondContact O-N 2.91Å; D823-L825 PolarHBondContact O-N 3.38Å; D823-L825 VanDerWaalsContact O-N 3.15Å; L825-V827 PolarHBondContact O-N 3.38Å |
| 826 | M | 27.9 | Very low | 36.2 | Very low | 107 Ų | 107 | 123 Ų | 123 | 53% | 0.527 | 64% | 0.635 | S | S | . | * | trans | -75.7 | 85.1 | 175.6 | -63.2 | -71.1 | -80.5 | 0 | 0 | 110.1 | D823 D828 | D823-M826 WeakPolarHBondContact O-CG 3.36Å; D823-M826 PolarHBondContact O-N 2.84Å; M826-D828 VanDerWaalsContact CE-CG 3.49Å; M826-D828 WeakPolarHBondContact CE-OD1 3.38Å; M826-D828 WeakPolarHBondContact CE-OD2 3.48Å; M826-D828 PolarHBondContact O-N 3.45Å | ||
| 827 | V | 33.2 | Very low | 35.7 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 75% | 0.745 | 66% | 0.655 | S | S | * | * | trans | -88.1 | 80.7 | 148.4 | -177.8 | 0 | 0 | 0 | 0 | 105.2 | L825 L829 | L825-V827 PolarHBondContact O-N 3.38Å; V827-L829 HydrophobicContact CG1-CG 4.49Å; V827-L829 PolarHBondContact O-N 2.98Å; V827-L829 VanDerWaalsContact O-N 3.09Å | ||
| 828 | D | 31.1 | Very low | 34.6 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 54% | 0.535 | 69% | 0.686 | S | S | . | * | trans | -63.3 | 107.7 | 170.4 | -84 | -23.8 | 0 | 0 | 0 | 107.7 | M826 D830 | M826-D828 VanDerWaalsContact CE-CG 3.49Å; M826-D828 WeakPolarHBondContact CE-OD1 3.38Å; M826-D828 WeakPolarHBondContact CE-OD2 3.48Å; M826-D828 PolarHBondContact O-N 3.45Å; D828-D830 PolarHBondContact O-N 3.07Å | ||
| 829 | L | 29.7 | Very low | 33.6 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 7.7 | 179.5 | -81.6 | 165.7 | 0 | 0 | 0 | 113.4 | V827 | V827-L829 HydrophobicContact CG1-CG 4.49Å; V827-L829 PolarHBondContact O-N 2.98Å; V827-L829 VanDerWaalsContact O-N 3.09Å |
| 830 | D | 32.4 | Very low | 33.4 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 21.1 | -170.7 | -67.7 | -29.5 | 0 | 0 | 0 | 115.4 | D828 | D828-D830 PolarHBondContact O-N 3.07Š|
| 831 | Q | 28.3 | Very low | 32.5 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -129 | 102.4 | 173.2 | -71.1 | -167.9 | 7.5 | 0 | 0 | 115.5 | ||
| 832 | D | 29.7 | Very low | 31.7 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | 51.1 | 114.2 | 142.6 | -67.4 | -25.5 | 0 | 0 | 0 | 121.1 | N834 | D832-N834 PolarHBondContact O-N 2.92Š| ||
| 833 | E | 30.6 | Very low | 30.9 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -45.9 | 116.4 | 159.2 | -59.4 | -163.6 | 153.5 | 0 | 0 | 111.6 | ||
| 834 | N | 31.2 | Very low | 30.5 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 156.2 | 77.5 | 139.6 | -80.3 | -46.1 | 0 | 0 | 0 | 110.9 | D832 | D832-N834 PolarHBondContact O-N 2.92Š| ||
| 835 | S | 29 | Very low | 30.2 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -159.4 | 129.7 | 146.8 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 836 | Q | 30.2 | Very low | 30.4 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 145.8 | -171.5 | -80.5 | -175.5 | -40.4 | 0 | 0 | 113 | ||
| 837 | P | 32.8 | Very low | 30.7 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 144.6 | -170.5 | 34.2 | -33.3 | 0 | 0 | 0 | 112.7 | ||
| 838 | P | 28.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 145.3 | 165.6 | 16 | -3.3 | 0 | 0 | 0 | 111 | ||
| 839 | S | 28.1 | Very low | 31.6 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 159.8 | -165.9 | 52.4 | 0 | 0 | 0 | 0 | 115 | ||
| 840 | P | 39 | Very low | 32.1 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -105.6 | 140.3 | -145.7 | 36.8 | -29.7 | 0 | 0 | 0 | 114.4 | ||||
| 841 | V | 27.6 | Very low | 32.8 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -82.9 | 118.5 | 163.1 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 842 | K | 26.2 | Very low | 33.8 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -73.6 | 118 | -176.1 | -68.2 | 173 | 176.6 | 174.8 | 0 | 111.5 | ||||
| 843 | L | 27.5 | Very low | 34.3 | Very low | 162 Ų | 162 | 138 Ų | 138 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -123.7 | 131.4 | 154.2 | -103.5 | 124.9 | 0 | 0 | 0 | 109.3 | K845 | L843-K845 PolarHBondContact O-N 2.74Š| ||
| 844 | K | 29.2 | Very low | 35.2 | Very low | 212 Ų | 212 | 135.5 Ų | 135.5 | 92% | 0.922 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 119.5 | -165.9 | -73.2 | 174 | 174 | 177.1 | 0 | 111.5 | S846 | K844-S846 PolarHBondContact O-N 3.08Š|
| 845 | K | 31.5 | Very low | 36.5 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 90% | 0.904 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 116.5 | 175.1 | -69.5 | 179.4 | 174 | -177.6 | 0 | 110.4 | L843 | L843-K845 PolarHBondContact O-N 2.74Š|
| 846 | S | 33.5 | Very low | 37.3 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 150.3 | 160.9 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | K844 | K844-S846 PolarHBondContact O-N 3.08Š|
| 847 | V | 36.2 | Very low | 37.5 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 127.9 | -163.9 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | A849 | V847-A849 PolarHBondContact O-N 3.48Š|
| 848 | N | 42 | Very low | 38 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 126.1 | -175 | -87.8 | -20.1 | 0 | 0 | 0 | 112.6 | V850 E851 | N848-V850 PolarHBondContact O-N 3.04Å; N848-E851 PolarHBondContact O-N 3.19Å |
| 849 | A | 40.7 | Very low | 38.7 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 65% | 0.653 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -50.9 | -20.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V847 E851 S852 Y853 | V847-A849 PolarHBondContact O-N 3.48Å; A849-E851 VanDerWaalsContact C-N 3.29Å; A849-E851 PolarHBondContact O-N 2.95Å; A849-S852 PolarHBondContact O-N 3.18Å; A849-Y853 PolarHBondContact O-N 3.43Å |
| 850 | V | 38.9 | Very low | 39.2 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 55% | 0.552 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63 | -34.4 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | N848 Y853 K854 | N848-V850 PolarHBondContact O-N 3.04Å; V850-Y853 PolarHBondContact O-N 2.7Å; V850-K854 PolarHBondContact O-N 2.86Å |
| 851 | E | 47.2 | Very low | 39 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 46% | 0.458 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -75.6 | -37.7 | 178.4 | -157.4 | 62.9 | -157.2 | 0 | 0 | 111.2 | N848 A849 Y853 K854 Q855 | N848-E851 PolarHBondContact O-N 3.19Å; A849-E851 VanDerWaalsContact C-N 3.29Å; A849-E851 PolarHBondContact O-N 2.95Å; E851-Y853 VanDerWaalsContact C-N 3.27Å; E851-Y853 PolarHBondContact O-N 3.27Å; E851-K854 PolarHBondContact O-N 3.22Å; E851-Q855 WeakPolarHBondContact O-CB 3.48Å; E851-Q855 WeakPolarHBondContact O-CG 3.43Å; E851-Q855 PolarHBondContact O-N 3.21Å |
| 852 | S | 50.2 | Low | 39.2 | Very low | 76 Ų | 76 | 121 Ų | 121 | 53% | 0.531 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -59.8 | -39.5 | 171.7 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | A849 Q855 A856 | A849-S852 PolarHBondContact O-N 3.18Å; S852-Q855 PolarHBondContact O-N 3.03Å; S852-A856 WeakPolarHBondContact O-CB 3.43Å; S852-A856 PolarHBondContact O-N 3.38Å |
| 853 | Y | 40.7 | Very low | 39.2 | Very low | 151 Ų | 151 | 116.6 Ų | 116.6 | 59% | 0.592 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.5 | -41.5 | 175.8 | -172.4 | -98 | 0 | 0 | 0 | 112.5 | A849 V850 E851 Q855 A856 M857 | A849-Y853 PolarHBondContact O-N 3.43Å; V850-Y853 PolarHBondContact O-N 2.7Å; E851-Y853 VanDerWaalsContact C-N 3.27Å; E851-Y853 PolarHBondContact O-N 3.27Å; Y853-Q855 VanDerWaalsContact C-N 3.33Å; Y853-Q855 PolarHBondContact O-N 2.83Å; Y853-A856 PolarHBondContact O-N 3.22Å; Y853-M857 HydrophobicContact CD1-CG 4.42Å; Y853-M857 HydrophobicContact CE1-CG 3.98Å; Y853-M857 HydrophobicContact CE2-CE 4.25Å; Y853-M857 PolarHBondContact O-N 3.49Å; Y853-M857 WeakPolarHBondContact OH-CE 3.18Å |
| 854 | K | 48.4 | Very low | 39.2 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.1 | -37.1 | 174.6 | -79.8 | -177.9 | 177.3 | 178.8 | 0 | 112.5 | V850 E851 K858 | V850-K854 PolarHBondContact O-N 2.86Å; E851-K854 PolarHBondContact O-N 3.22Å; K854-K858 PolarHBondContact O-N 2.89Å |
| 855 | Q | 58.1 | Low | 39.1 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.593 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.7 | -41.4 | 174.9 | -73.9 | -175.4 | 0.8 | 0 | 0 | 111.6 | E851 S852 Y853 M857 K858 A859 | E851-Q855 WeakPolarHBondContact O-CB 3.48Å; E851-Q855 WeakPolarHBondContact O-CG 3.43Å; E851-Q855 PolarHBondContact O-N 3.21Å; S852-Q855 PolarHBondContact O-N 3.03Å; Y853-Q855 VanDerWaalsContact C-N 3.33Å; Y853-Q855 PolarHBondContact O-N 2.83Å; Q855-M857 VanDerWaalsContact C-N 3.34Å; Q855-M857 PolarHBondContact O-N 3.02Å; Q855-K858 PolarHBondContact O-N 3.46Å; Q855-A859 PolarHBondContact O-N 2.91Å |
| 856 | A | 46.1 | Very low | 38.8 | Very low | 51 Ų | 51 | 116.1 Ų | 116.1 | 42% | 0.421 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -59.8 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S852 Y853 K858 A859 V860 | S852-A856 WeakPolarHBondContact O-CB 3.43Å; S852-A856 PolarHBondContact O-N 3.38Å; Y853-A856 PolarHBondContact O-N 3.22Å; A856-K858 VanDerWaalsContact C-N 3.34Å; A856-K858 PolarHBondContact O-N 3.45Å; A856-A859 PolarHBondContact O-N 3.25Å; A856-A859 VanDerWaalsContact O-N 3.15Å; A856-V860 WeakPolarHBondContact O-CG2 3.49Å; A856-V860 PolarHBondContact O-N 2.88Å |
| 857 | M | 35.1 | Very low | 38.4 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 52% | 0.517 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -68 | -31.6 | 177.5 | -79.6 | -66.3 | 166 | 0 | 0 | 113.3 | Y853 Q855 G861 | Y853-M857 HydrophobicContact CD1-CG 4.42Å; Y853-M857 HydrophobicContact CE1-CG 3.98Å; Y853-M857 HydrophobicContact CE2-CE 4.25Å; Y853-M857 PolarHBondContact O-N 3.49Å; Y853-M857 WeakPolarHBondContact OH-CE 3.18Å; Q855-M857 VanDerWaalsContact C-N 3.34Å; Q855-M857 PolarHBondContact O-N 3.02Å; M857-G861 PolarHBondContact O-N 3.46Å |
| 858 | K | 42.6 | Very low | 38.1 | Very low | 174 Ų | 174 | 121.5 Ų | 121.5 | 76% | 0.757 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.6 | -37.5 | 170 | -94.8 | -178.4 | 175.9 | 175.3 | 0 | 112.6 | K854 Q855 A856 G861 | K854-K858 PolarHBondContact O-N 2.89Å; Q855-K858 PolarHBondContact O-N 3.46Å; A856-K858 VanDerWaalsContact C-N 3.34Å; A856-K858 PolarHBondContact O-N 3.45Å; K858-G861 PolarHBondContact O-N 3.11Å |
| 859 | A | 44.8 | Very low | 37.4 | Very low | 59 Ų | 59 | 122.1 Ų | 122.1 | 49% | 0.488 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -67.4 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q855 A856 G861 S862 | Q855-A859 PolarHBondContact O-N 2.91Å; A856-A859 PolarHBondContact O-N 3.25Å; A856-A859 VanDerWaalsContact O-N 3.15Å; A859-G861 VanDerWaalsContact C-N 3.31Å; A859-G861 PolarHBondContact O-N 3.33Å; A859-S862 PolarHBondContact O-OG 3.42Å |
| 860 | V | 38.4 | Very low | 36.7 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 61% | 0.612 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71 | -27.5 | 178.8 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | A856 S862 | A856-V860 WeakPolarHBondContact O-CG2 3.49Å; A856-V860 PolarHBondContact O-N 2.88Å; V860-S862 PolarHBondContact O-N 3.07Å |
| 861 | G | 33.6 | Very low | 36 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -13.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | M857 K858 A859 | M857-G861 PolarHBondContact O-N 3.46Å; K858-G861 PolarHBondContact O-N 3.11Å; A859-G861 VanDerWaalsContact C-N 3.31Å; A859-G861 PolarHBondContact O-N 3.33Å |
| 862 | S | 32.7 | Very low | 34.8 | Very low | 88 Ų | 88 | 133 Ų | 133 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 5.7 | -170.3 | 50.1 | 0 | 0 | 0 | 0 | 116.8 | A859 V860 K864 | A859-S862 PolarHBondContact O-OG 3.42Å; V860-S862 PolarHBondContact O-N 3.07Å; S862-K864 PolarHBondContact O-N 3.13Å |
| 863 | S | 26.8 | Very low | 33.7 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -96.4 | 17.6 | -170.1 | -56.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 864 | K | 26.8 | Very low | 32.9 | Very low | 205 Ų | 205 | 137.6 Ų | 137.6 | 89% | 0.891 | 73% | 0.73 | S | S | * | * | trans | -100.2 | 70.4 | 170.5 | -94.4 | -172.8 | 175.7 | 178 | 0 | 111.5 | S862 | S862-K864 PolarHBondContact O-N 3.13Š| ||
| 865 | T | 28.1 | Very low | 31.8 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | -178.7 | 80.9 | 152 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 866 | R | 24.7 | Very low | 30.2 | Very low | 238 Ų | 238 | 136 Ų | 136 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | -149.3 | 75.9 | 158.6 | -77.3 | -165.1 | -166.3 | 172.4 | 5.4 | 109.5 | ||||
| 867 | F | 24.4 | Very low | 29.1 | Very low | 207 Ų | 207 | 138.4 Ų | 138.4 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | trans | -168 | 86.3 | 159.2 | -102.5 | -71.1 | 0 | 0 | 0 | 107.7 | ||||
| 868 | V | 30 | Very low | 28.7 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -153 | 113 | 148.7 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 869 | D | 27 | Very low | 27.9 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -54.1 | 142.1 | 165 | -70 | -49.3 | 0 | 0 | 0 | 112.3 | ||||
| 870 | K | 26.8 | Very low | 27 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | 159.2 | 128.9 | 116.7 | -89.5 | 174.3 | 178.8 | 175.5 | 0 | 112.6 | |||||
| 871 | C | 23.3 | Very low | 26.6 | Very low | 120 Ų | 120 | 145 Ų | 145 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | 43.3 | 101.7 | 137 | -59.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 872 | E | 23.2 | Very low | 26.2 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -9.7 | 141.2 | 138.6 | -62.1 | 178 | 158.3 | 0 | 0 | 117.9 | ||||
| 873 | S | 25.7 | Very low | 25.8 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | 117.6 | 105 | 138.2 | 74.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 874 | F | 24.1 | Very low | 25.9 | Very low | 217 Ų | 217 | 154.2 Ų | 154.2 | 95% | 0.952 | 82% | 0.815 | S | S | * | * | trans | 60.4 | 115.5 | 139.7 | -76.1 | -89.1 | 0 | 0 | 0 | 120.5 | ||||
| 875 | G | 25.5 | Very low | 25.9 | Very low | 69 Ų | 69 | 156.5 Ų | 156.5 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | 127.9 | 99.9 | 120.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 876 | N | 25.3 | Very low | 25.8 | Very low | 151 Ų | 151 | 162 Ų | 162 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | 74.4 | 106.1 | 136.8 | -84.8 | 0.1 | 0 | 0 | 0 | 122.4 | ||||
| 877 | T | 23.4 | Very low | 25.9 | Very low | 103 Ų | 103 | 160.7 Ų | 160.7 | 63% | 0.632 | 83% | 0.825 | S | S | * | * | 55.8 | 109.1 | 118.2 | 63.7 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 878 | N | 26.6 | Very low | 26.1 | Very low | 151 Ų | 151 | 159.9 Ų | 159.9 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | 164.9 | 135.4 | 100.7 | -89.9 | -27.7 | 0 | 0 | 0 | 113.8 | |||||
| 879 | S | 25.9 | Very low | 25.9 | Very low | 102 Ų | 102 | 158 Ų | 158 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | 66.9 | 101.9 | 142.2 | -162.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 880 | M | 25.3 | Very low | 26 | Very low | 168 Ų | 168 | 160.1 Ų | 160.1 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | 169.5 | 132.6 | 94 | -123.8 | -166.8 | -82.7 | 0 | 0 | 111.6 | |||||
| 881 | D | 29.3 | Very low | 26.1 | Very low | 155 Ų | 155 | 157.5 Ų | 157.5 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | 9.3 | 122 | 157.7 | -74.5 | -43.3 | 0 | 0 | 0 | 122.1 | ||||
| 882 | L | 25 | Very low | 26.3 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -58.3 | 158.4 | 155.4 | -74.2 | 156.5 | 0 | 0 | 0 | 113.6 | ||||
| 883 | A | 25 | Very low | 26.6 | Very low | 85 Ų | 85 | 156.5 Ų | 156.5 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | trans | 93.8 | 105.2 | 140.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 884 | K | 28.1 | Very low | 27.2 | Very low | 203 Ų | 203 | 155.8 Ų | 155.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | S | Bend | 177.8 | 98 | 108 | -92.3 | 163.9 | -171.4 | 176.8 | 0 | 111.2 | |||
| 885 | R | 27 | Very low | 27.8 | Very low | 252 Ų | 252 | 152.1 Ų | 152.1 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | 177.7 | 58.8 | 139.1 | -97.9 | 171.3 | -175.2 | -166.8 | 3 | 110.6 | ||||
| 886 | R | 25.6 | Very low | 28.2 | Very low | 246 Ų | 246 | 155.3 Ų | 155.3 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | trans | -101.2 | 93.5 | 155.1 | -86.4 | -178.6 | 169.2 | 161.5 | -4.2 | 106.7 | K888 | R886-K888 PolarHBondContact O-N 3.38Š| ||
| 887 | K | 28.2 | Very low | 28.7 | Very low | 210 Ų | 210 | 155.2 Ų | 155.2 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -73 | 106.4 | 164.6 | -91.1 | -174.4 | 174.2 | -177.3 | 0 | 106.5 | S889 | K887-S889 PolarHBondContact O-N 3.22Š| ||
| 888 | K | 28.1 | Very low | 29.3 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -48.8 | 124.9 | 172 | -73.6 | 172.7 | 170.7 | 179.7 | 0 | 109.2 | R886 H890 | R886-K888 PolarHBondContact O-N 3.38Å; K888-H890 PolarHBondContact O-N 3.48Å | ||
| 889 | S | 25.9 | Very low | 29.6 | Very low | 106 Ų | 106 | 157.9 Ų | 157.9 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -52.2 | 125.9 | 157.3 | 46.4 | 0 | 0 | 0 | 0 | 108 | K887 V891 | K887-S889 PolarHBondContact O-N 3.22Å; S889-V891 PolarHBondContact O-N 3.44Å | ||
| 890 | H | 28.2 | Very low | 29.8 | Very low | 184 Ų | 184 | 159.6 Ų | 159.6 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -53.7 | 114.8 | 173.2 | -88 | -87 | 0 | 0 | 0 | 108.7 | K888 I892 | K888-H890 PolarHBondContact O-N 3.48Å; H890-I892 PolarHBondContact O-N 3.24Å | ||
| 891 | V | 29.5 | Very low | 30.4 | Very low | 136 Ų | 136 | 157.8 Ų | 157.8 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -61.6 | 111.7 | 164 | 173.6 | 0 | 0 | 0 | 0 | 105.2 | S889 D893 | S889-V891 PolarHBondContact O-N 3.44Å; V891-D893 PolarHBondContact O-N 3.31Å | ||
| 892 | I | 26.9 | Very low | 30.5 | Very low | 157 Ų | 157 | 157 Ų | 157 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -60.1 | 118.2 | 168.5 | -64.7 | 170.6 | 0 | 0 | 0 | 105.6 | H890 A894 | H890-I892 PolarHBondContact O-N 3.24Å; I892-A894 PolarHBondContact O-N 3.12Å | ||
| 893 | D | 31.2 | Very low | 30.9 | Very low | 127 Ų | 127 | 155.6 Ų | 155.6 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -61.1 | 125.2 | -179.3 | -158.9 | -11.2 | 0 | 0 | 0 | 108.4 | V891 N895 | V891-D893 PolarHBondContact O-N 3.31Å; D893-N895 PolarHBondContact O-N 2.75Å | ||
| 894 | A | 37.1 | Very low | 31.1 | Very low | 90 Ų | 90 | 160.4 Ų | 160.4 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 14.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114 | I892 | I892-A894 PolarHBondContact O-N 3.12Š|
| 895 | N | 37.5 | Very low | 31.2 | Very low | 141 Ų | 141 | 159.2 Ų | 159.2 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 7.6 | -171.8 | -80.2 | -6.4 | 0 | 0 | 0 | 115 | D893 | D893-N895 PolarHBondContact O-N 2.75Š|
| 896 | D | 32.5 | Very low | 31.3 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -101.7 | 93.9 | 175.8 | -126.9 | -6.8 | 0 | 0 | 0 | 110.6 | D898 | D896-D898 PolarHBondContact O-N 3.07Š| ||
| 897 | N | 36.3 | Very low | 31.4 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 13 | -173.2 | -77.3 | -33.5 | 0 | 0 | 0 | 114.7 | ||
| 898 | D | 36.5 | Very low | 31.5 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 16.9 | -170 | -93.8 | -6.5 | 0 | 0 | 0 | 115.5 | D896 L900 | D896-D898 PolarHBondContact O-N 3.07Å; D898-L900 VanDerWaalsContact C-N 3.31Å; D898-L900 PolarHBondContact O-N 2.76Å |
| 899 | W | 33.3 | Very low | 31.3 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -74.8 | -14.4 | -177.2 | 71.4 | -86.9 | 0 | 0 | 0 | 114.8 | I901 | W899-I901 VanDerWaalsContact C-N 3.34Å; W899-I901 PolarHBondContact O-N 2.88Å |
| 900 | L | 29.9 | Very low | 31.4 | Very low | 139 Ų | 139 | 149 Ų | 149 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -81.4 | -8.8 | -178.9 | -150.5 | 76.3 | 0 | 0 | 0 | 113.9 | D898 | D898-L900 VanDerWaalsContact C-N 3.31Å; D898-L900 PolarHBondContact O-N 2.76Å |
| 901 | I | 37.2 | Very low | 31.3 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -95.7 | -11.7 | -177.2 | -60.3 | 177 | 0 | 0 | 0 | 112.6 | W899 | W899-I901 VanDerWaalsContact C-N 3.34Å; W899-I901 PolarHBondContact O-N 2.88Å |
| 902 | L | 32.5 | Very low | 31.3 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -98.1 | 1.9 | -172.7 | -77.6 | 168 | 0 | 0 | 0 | 116.1 | ||
| 903 | D | 33 | Very low | 31.4 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -92.2 | -4.4 | 176.2 | -97.6 | -3 | 0 | 0 | 0 | 114.5 | K905 | D903-K905 VanDerWaalsContact C-N 3.33Å; D903-K905 PolarHBondContact O-N 2.92Å |
| 904 | E | 29.4 | Very low | 31.1 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -87.6 | 22 | 176.8 | -73.8 | -164.9 | 159.7 | 0 | 0 | 115.2 | ||
| 905 | K | 28.8 | Very low | 30.7 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -123.6 | 122.3 | 170.9 | -73.6 | -171.2 | 180 | 176.4 | 0 | 113.6 | D903 R907 | D903-K905 VanDerWaalsContact C-N 3.33Å; D903-K905 PolarHBondContact O-N 2.92Å; K905-R907 PolarHBondContact O-N 3.07Å |
| 906 | P | 29.3 | Very low | 30.5 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -73.7 | 124.3 | -168.3 | 28 | -31.7 | 0 | 0 | 0 | 111.8 | ||||
| 907 | R | 28.8 | Very low | 30.5 | Very low | 229 Ų | 229 | 143.4 Ų | 143.4 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -93.6 | 101.5 | -176.9 | -72.6 | -176 | -179.3 | 177.9 | 4.1 | 111.6 | K905 | K905-R907 PolarHBondContact O-N 3.07Š| ||
| 908 | G | 28.7 | Very low | 30.2 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -73.3 | 142.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 909 | S | 25.7 | Very low | 30 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 53.6 | 98.1 | 157.3 | 70.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 910 | R | 27.9 | Very low | 29.8 | Very low | 242 Ų | 242 | 145.7 Ų | 145.7 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -139.4 | 113.3 | 142.4 | -80.7 | -168 | 176.4 | 161.8 | -0.5 | 111.1 | ||||
| 911 | S | 25.2 | Very low | 29.8 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -63.1 | 129.7 | 167.6 | 43 | 0 | 0 | 0 | 0 | 111 | ||||
| 912 | V | 29 | Very low | 29.6 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -125.9 | 118.1 | 165.3 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 913 | S | 29.3 | Very low | 29.8 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -72.5 | 141.2 | -170.7 | 53.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 914 | S | 24.2 | Very low | 29.5 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -61 | 118.8 | 170.4 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 915 | V | 28.7 | Very low | 29.2 | Very low | 123 Ų | 123 | 144 Ų | 144 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -146.7 | -20.8 | 151.5 | -177.6 | 0 | 0 | 0 | 0 | 114.1 | V917 | V915-V917 PolarHBondContact O-N 2.7Š| ||
| 916 | T | 33.8 | Very low | 29.2 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 9.4 | -168.7 | 35 | 0 | 0 | 0 | 0 | 117.6 | ||
| 917 | V | 32.3 | Very low | 29 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -13.5 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | V915 | V915-V917 PolarHBondContact O-N 2.7Š|
| 918 | K | 30.8 | Very low | 28.7 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 73% | 0.726 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -24.6 | -176.8 | -160.5 | 170.7 | -178.9 | 179.4 | 0 | 114 | ||
| 919 | E | 33 | Very low | 28.6 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -7.4 | -177.1 | -68.9 | -174.8 | 167.8 | 0 | 0 | 114.3 | ||
| 920 | H | 29.4 | Very low | 28.4 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -91.6 | -15.5 | 176.3 | -120.6 | 66.6 | 0 | 0 | 0 | 113.9 | ||
| 921 | F | 29 | Very low | 28.3 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -92.9 | -13.3 | -177.4 | -96.7 | -81.7 | 0 | 0 | 0 | 114.7 | ||
| 922 | D | 33.9 | Very low | 28.3 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -0.5 | 179.7 | -74.2 | -22.2 | 0 | 0 | 0 | 114.1 | ||
| 923 | A | 35 | Very low | 28 | Very low | 81 Ų | 81 | 140 Ų | 140 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 0.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 924 | L | 26.8 | Very low | 27.8 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -118.4 | 60.7 | -177 | -71.1 | 170.1 | 0 | 0 | 0 | 112.2 | ||||
| 925 | N | 23.6 | Very low | 27.7 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -125.3 | 86.2 | 174.6 | -154.4 | 2 | 0 | 0 | 0 | 109.7 | ||||
| 926 | V | 28.7 | Very low | 27.6 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -135.8 | 116.6 | 161.5 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 927 | K | 25.8 | Very low | 27.1 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -64.1 | 142.1 | -179.8 | -72.2 | 168.3 | 170.8 | 175.1 | 0 | 115.3 | ||||
| 928 | S | 22.8 | Very low | 26.8 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 39.6 | 120.4 | 131.6 | 73.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 929 | G | 25.2 | Very low | 26.5 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -150.4 | 117.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 930 | K | 22.7 | Very low | 26 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -78.2 | 145 | 179.9 | -69.6 | 165.8 | 167.8 | 172.8 | 0 | 112.9 | ||||
| 931 | Y | 26.3 | Very low | 25.7 | Very low | 227 Ų | 227 | 140.3 Ų | 140.3 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -159.6 | 98.5 | 148.2 | -81.2 | -74.2 | 0 | 0 | 0 | 108.2 | ||||
| 932 | T | 23.2 | Very low | 25.6 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | 53.9 | 101.3 | 87.9 | 62.5 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 933 | A | 23 | Very low | 25 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | 72 | 129.5 | 124.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 934 | T | 25.7 | Very low | 24.6 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | 145.2 | 104 | 123 | 53.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 935 | A | 22.4 | Very low | 24.4 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | 63.1 | 104.7 | 80.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 936 | S | 26.4 | Very low | 24.4 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -162.7 | 128.6 | 142.3 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 937 | S | 22.7 | Very low | 24.2 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -79 | 159.6 | 176.6 | 58.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 938 | K | 27.4 | Very low | 24 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 169.4 | 116.9 | 130.2 | -93.2 | 163.2 | -177.6 | -179.3 | 0 | 109.3 | ||||
| 939 | N | 24.2 | Very low | 24.1 | Very low | 138 Ų | 138 | 156.2 Ų | 156.2 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | 59.4 | 137.7 | 90.6 | -81.3 | -17.7 | 0 | 0 | 0 | 113.9 | |||||
| 940 | R | 21.6 | Very low | 24.2 | Very low | 215 Ų | 215 | 156.6 Ų | 156.6 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | cis | -179.5 | 154.8 | -1.9 | -127.1 | -179.3 | -174.3 | -173.1 | 1.1 | 106.9 | ||||
| 941 | S | 23.7 | Very low | 24.2 | Very low | 99 Ų | 99 | 156 Ų | 156 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 89.8 | 141.5 | 136.3 | 74.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 942 | R | 26 | Very low | 24.1 | Very low | 235 Ų | 235 | 153.7 Ų | 153.7 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 89.8 | 103.1 | 162.8 | -60.1 | -178 | 177.1 | -179.9 | -1.9 | 115.1 | ||||
| 943 | Q | 22 | Very low | 24.2 | Very low | 165 Ų | 165 | 152 Ų | 152 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | cis | 64.3 | 100 | 43.7 | -155.2 | -179 | 6.5 | 0 | 0 | 113.4 | ||||
| 944 | E | 26.5 | Very low | 24.4 | Very low | 198 Ų | 198 | 157.1 Ų | 157.1 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -146.3 | 123.1 | 153.7 | -97.6 | 176.2 | -166.1 | 0 | 0 | 108.8 | ||||
| 945 | D | 23.3 | Very low | 24.3 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | -82.6 | 135.4 | -179.5 | -63 | -58.8 | 0 | 0 | 0 | 110.2 | ||||
| 946 | L | 23.5 | Very low | 24.3 | Very low | 173 Ų | 173 | 157.4 Ų | 157.4 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -134.7 | 106.5 | 166.8 | -90.9 | 163.2 | 0 | 0 | 0 | 110 | ||||
| 947 | E | 23.3 | Very low | 24.3 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -66.1 | 128.4 | 177.1 | -71.9 | 176.7 | 144.7 | 0 | 0 | 111.6 | ||||
| 948 | F | 23 | Very low | 24.3 | Very low | 205 Ų | 205 | 161.8 Ų | 161.8 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | -93.4 | 119.4 | 176.1 | -119 | -96.8 | 0 | 0 | 0 | 109.5 | ||||
| 949 | L | 23.3 | Very low | 24.2 | Very low | 168 Ų | 168 | 160.5 Ų | 160.5 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | -106.3 | 116.1 | 166.8 | -90.9 | 162.7 | 0 | 0 | 0 | 109.6 | ||||
| 950 | P | 28.1 | Very low | 24.3 | Very low | 88 Ų | 88 | 161.6 Ų | 161.6 | 57% | 0.571 | 82% | 0.819 | S | S | * | * | trans | -88.6 | 157.3 | 176.1 | 34.4 | -30.7 | 0 | 0 | 0 | 111.6 | ||||
| 951 | H | 22.9 | Very low | 24.5 | Very low | 180 Ų | 180 | 160.6 Ų | 160.6 | 83% | 0.833 | 82% | 0.821 | S | S | * | * | trans | 130.7 | 109.1 | 155.7 | -73 | -66.6 | 0 | 0 | 0 | 111.7 | ||||
| 952 | M | 24.2 | Very low | 24.5 | Very low | 179 Ų | 179 | 164.4 Ų | 164.4 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | -172.3 | 110.3 | 125.8 | -86 | -111 | 169.9 | 0 | 0 | 108.9 | |||||
| 953 | A | 25.2 | Very low | 24.7 | Very low | 84 Ų | 84 | 159.5 Ų | 159.5 | 69% | 0.694 | 83% | 0.829 | S | S | * | * | trans | -62.7 | 154.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 954 | F | 26.5 | Very low | 24.9 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | -162.2 | 138.6 | 126.7 | -101.9 | -71.1 | 0 | 0 | 0 | 112.3 | |||||
| 955 | T | 23.4 | Very low | 24.8 | Very low | 117 Ų | 117 | 155.6 Ų | 155.6 | 72% | 0.718 | 83% | 0.827 | S | S | * | * | trans | -64.9 | 143.8 | 176.1 | 47.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 956 | S | 23.4 | Very low | 25.2 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -127.7 | 100.9 | 154.8 | 70 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 957 | T | 25.7 | Very low | 25.3 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -90.1 | 124.7 | 163.8 | 44.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 958 | Q | 24 | Very low | 25.4 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -104.8 | 104.3 | 156.8 | -79.6 | -175.4 | -6.2 | 0 | 0 | 107.5 | ||||
| 959 | N | 25.5 | Very low | 25.7 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -151.7 | 88.6 | 166.3 | -109.2 | 1 | 0 | 0 | 0 | 106.7 | ||||
| 960 | D | 25.1 | Very low | 25.8 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -99.4 | 137.5 | 170.8 | -87.1 | -30.4 | 0 | 0 | 0 | 110 | ||||
| 961 | K | 25.3 | Very low | 25.9 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | 92.9 | 74.9 | 167.1 | -55.3 | -179.9 | -178.1 | 178 | 0 | 117.4 | ||||
| 962 | L | 25 | Very low | 26 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | trans | -136.4 | 96.5 | 140.7 | -110.6 | 130.1 | 0 | 0 | 0 | 108.6 | S964 | L962-S964 PolarHBondContact O-N 2.86Š| ||
| 963 | T | 29 | Very low | 26.1 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -75.8 | 105.8 | 178.5 | 41.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 964 | S | 27.8 | Very low | 26.1 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 20.6 | 106.6 | 143.9 | 60.9 | 0 | 0 | 0 | 0 | 119.1 | L962 | L962-S964 PolarHBondContact O-N 2.86Š| ||
| 965 | L | 24.4 | Very low | 26.1 | Very low | 175 Ų | 175 | 133 Ų | 133 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79 | 128 | 150.7 | -86 | 151.7 | 0 | 0 | 0 | 109 | ||
| 966 | P | 31.7 | Very low | 26.1 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 139.2 | -177.9 | 26.9 | -21.1 | 0 | 0 | 0 | 112.1 | ||
| 967 | A | 24.9 | Very low | 26 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 136.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 968 | G | 25.1 | Very low | 26 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 53.3 | 122 | 134.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 969 | S | 29 | Very low | 26 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | -170.5 | 121.3 | 122.2 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 970 | S | 26 | Very low | 26 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -47.2 | 137.5 | 154.6 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 971 | S | 29.2 | Very low | 26.1 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 170.9 | 124.2 | 123.4 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 972 | S | 26.2 | Very low | 26.4 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 2 | 139.8 | 148.3 | 58.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 973 | S | 25.6 | Very low | 26.9 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | 81.7 | 108.7 | 130.6 | 64.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 974 | V | 25.5 | Very low | 27.3 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | 63.6 | 105.9 | 125.2 | -173.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 975 | V | 25.7 | Very low | 27.2 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | 41.7 | 117.7 | 130.3 | -171.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 976 | G | 23.9 | Very low | 27.2 | Very low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 166 | 87.8 | 155 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 977 | G | 22.6 | Very low | 26.8 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 72.1 | 123.1 | 130.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 978 | A | 24.2 | Very low | 26.9 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | 89.2 | 96.4 | 139.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 979 | H | 24 | Very low | 27 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | 28.5 | 117.7 | 126.4 | -71 | -73.5 | 0 | 0 | 0 | 119.4 | |||||
| 980 | K | 25.9 | Very low | 27.5 | Very low | 190 Ų | 190 | 126.3 Ų | 126.3 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | 178.7 | 135.7 | 111.8 | -99 | 169.6 | -176.6 | -178.9 | 0 | 113.5 | |||||
| 981 | H | 27.6 | Very low | 27.3 | Very low | 172 Ų | 172 | 128.3 Ų | 128.3 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 67.5 | 94.3 | 154.4 | -74.7 | -76.6 | 0 | 0 | 0 | 121.3 | ||||
| 982 | L | 32.3 | Very low | 27 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -85 | 149.4 | 140.9 | -89.9 | 121.6 | 0 | 0 | 0 | 109.9 | ||||
| 983 | P | 34.8 | Very low | 26.9 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -142.9 | 169.2 | 120.7 | 29.1 | -9.1 | 0 | 0 | 0 | 115.3 | |||||
| 984 | P | 37.5 | Very low | 26.7 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | trans | -132.9 | -178 | -143.6 | 44.7 | -29.1 | 0 | 0 | 0 | 116.3 | ||||
| 985 | K | 24.5 | Very low | 26.6 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | 70.9 | 146.9 | 151.7 | -76.2 | 169.6 | -176.6 | -175.6 | 0 | 116 | ||||
| 986 | S | 24.8 | Very low | 26.5 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | cis | -177.2 | 152.2 | 17.7 | 36.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 987 | T | 23 | Very low | 26.3 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 54.7 | 121.4 | 140.1 | 56.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 988 | S | 28.6 | Very low | 26.3 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | -170.5 | 110.7 | 127.9 | 58 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 989 | T | 25.2 | Very low | 26.3 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -85.4 | -176.9 | 145.9 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 990 | P | 40.7 | Very low | 26.2 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -133.9 | 165.7 | -21.1 | 24.6 | -1.2 | 0 | 0 | 0 | 114.7 | ||||
| 991 | I | 21.4 | Very low | 26 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | 30.1 | 124.3 | 132.3 | -49.3 | 166 | 0 | 0 | 0 | 118.2 | ||||
| 992 | K | 22.7 | Very low | 25.8 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | -177.6 | 132.6 | 124 | -102.3 | 172.7 | 175.7 | -175 | 0 | 115.8 | |||||
| 993 | H | 23.5 | Very low | 25.4 | Very low | 134 Ų | 134 | 148.8 Ų | 148.8 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | trans | 85.9 | 108.7 | 136.7 | -75.1 | -50.8 | 0 | 0 | 0 | 122.8 | ||||
| 994 | N | 22.2 | Very low | 24.9 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | 87.5 | 118.5 | 111.9 | -76.9 | 0.7 | 0 | 0 | 0 | 121.2 | |||||
| 995 | K | 24 | Very low | 24.1 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | 92 | 107.6 | 122.7 | -79.1 | -174.7 | 175.2 | -172.7 | 0 | 118.6 | |||||
| 996 | Q | 22.5 | Very low | 24.2 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | 73.4 | 94.2 | 124.7 | -74.8 | 175.8 | -43 | 0 | 0 | 117 | N998 | Q996-N998 PolarHBondContact O-N 3.44Š| |||
| 997 | L | 19.5 | Very low | 24.1 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -39.7 | 124 | 141.7 | -86.3 | 86.2 | 0 | 0 | 0 | 110.8 | ||||
| 998 | N | 23.1 | Very low | 24.2 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -120.5 | 129.2 | 151.1 | -105.3 | -16.6 | 0 | 0 | 0 | 108.8 | Q996 | Q996-N998 PolarHBondContact O-N 3.44Š| ||
| 999 | Q | 23.7 | Very low | 23.9 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -62.3 | 141 | 176.4 | -65.5 | 163.3 | -21.3 | 0 | 0 | 110.7 | ||||
| 1000 | S | 22.8 | Very low | 23.9 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -162.6 | 110.3 | 139.4 | 38.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1001 | F | 21.8 | Very low | 23.2 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 91% | 0.912 | 77% | 0.768 | S | S | * | * | trans | -59.9 | 135.4 | 159.6 | -89 | -101.8 | 0 | 0 | 0 | 109.7 | ||||
| 1002 | K | 23.9 | Very low | 23.3 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -165.2 | 106.3 | 150.1 | -110.9 | 173.8 | -175.6 | -174.8 | 0 | 111.8 | ||||
| 1003 | E | 22.5 | Very low | 23.5 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | 20.6 | 130.4 | 133.2 | -62.1 | 174.4 | 159.9 | 0 | 0 | 120.6 | ||||
| 1004 | S | 24.3 | Very low | 23.4 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 163.8 | 106.3 | 133.6 | 40.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1005 | S | 21.2 | Very low | 23.5 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | 57.7 | 117.1 | 91 | 70.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1006 | H | 26.6 | Very low | 23.6 | Very low | 173 Ų | 173 | 149 Ų | 149 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | 155.3 | 97.1 | 145.1 | -81.4 | -54.6 | 0 | 0 | 0 | 107.8 | ||||
| 1007 | S | 22.8 | Very low | 23.6 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | 57.2 | 117.1 | 78.2 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1008 | D | 24.7 | Very low | 23.8 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | 129.7 | 140.3 | 155.6 | -71.9 | -25.6 | 0 | 0 | 0 | 111.1 | ||||
| 1009 | K | 23.9 | Very low | 23.9 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 70% | 0.704 | 79% | 0.787 | S | S | * | * | cis | -179.9 | 147.3 | -21.5 | -118.6 | 177.4 | -176.4 | 175.3 | 0 | 103.3 | ||||
| 1010 | D | 24 | Very low | 24.5 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 50.6 | 112.4 | 144.2 | -53.5 | -31.7 | 0 | 0 | 0 | 119.3 | ||||
| 1011 | S | 25.9 | Very low | 24.6 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -170.9 | 107.4 | 117.6 | 29.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1012 | L | 23.2 | Very low | 24.8 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -39.5 | 128.7 | 156.5 | -74.4 | 118.4 | 0 | 0 | 0 | 112.9 | ||||
| 1013 | I | 26.6 | Very low | 24.9 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -125 | 88.6 | 145.6 | -60.5 | -177.4 | 0 | 0 | 0 | 108.6 | ||||
| 1014 | N | 22.8 | Very low | 25 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 27.2 | 120.9 | 137.4 | -116.3 | -9.2 | 0 | 0 | 0 | 120.9 | ||||
| 1015 | T | 23.7 | Very low | 25.1 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -43.8 | 140 | 149.5 | 47.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1016 | N | 25.2 | Very low | 25.3 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -154.9 | 101.3 | 149.7 | -92.9 | -22.9 | 0 | 0 | 0 | 107.2 | ||||
| 1017 | S | 23.7 | Very low | 25.2 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 87.4 | 86.8 | 90.7 | 71.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 1018 | C | 23.6 | Very low | 25.4 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -137.1 | 106.3 | 146.1 | -131 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1019 | L | 25.9 | Very low | 25.5 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -76.2 | 167.6 | -179.8 | -88.5 | 161.4 | 0 | 0 | 0 | 111 | ||||
| 1020 | P | 34.6 | Very low | 25.6 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | -104.5 | 166.9 | -143.5 | 39.7 | -35.3 | 0 | 0 | 0 | 114.2 | ||||
| 1021 | P | 26.5 | Very low | 25.6 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 113.9 | 152.2 | 31 | -20.7 | 0 | 0 | 0 | 109.5 | ||||
| 1022 | S | 25.6 | Very low | 25.6 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | -14 | 120.9 | 160.5 | 53.3 | 0 | 0 | 0 | 0 | 118.1 | V1024 | S1022-V1024 PolarHBondContact O-N 3.42Š| ||
| 1023 | T | 24.4 | Very low | 25.7 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -7.2 | 112.7 | 137.6 | 43.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1024 | V | 25.8 | Very low | 25.6 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | trans | -104.5 | 103.3 | 145.5 | 176 | 0 | 0 | 0 | 0 | 106.3 | S1022 N1026 | S1022-V1024 PolarHBondContact O-N 3.42Å; V1024-N1026 PolarHBondContact O-N 3Å | ||
| 1025 | N | 26.2 | Very low | 25.6 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -59.4 | 109.8 | 170.7 | -90.3 | -23.7 | 0 | 0 | 0 | 109.6 | ||||
| 1026 | N | 25.3 | Very low | 25.8 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -125.2 | 46.4 | 159.2 | -88.6 | -22.2 | 0 | 0 | 0 | 109.9 | V1024 Q1028 | V1024-N1026 PolarHBondContact O-N 3Å; N1026-Q1028 PolarHBondContact O-N 3.29Å | ||
| 1027 | D | 25.5 | Very low | 25.8 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -81.1 | 88.7 | 159.8 | -93.6 | -25.6 | 0 | 0 | 0 | 108.6 | ||||
| 1028 | Q | 26.6 | Very low | 26.1 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -177.4 | 47.5 | 148.6 | -103.2 | 179.6 | 56.1 | 0 | 0 | 114 | N1026 | N1026-Q1028 PolarHBondContact O-N 3.29Š| ||
| 1029 | L | 26.2 | Very low | 26.1 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -133.7 | 63.9 | 156.8 | -82.8 | 168.6 | 0 | 0 | 0 | 109.4 | Q1031 | L1029-Q1031 PolarHBondContact O-N 3.12Š| ||
| 1030 | K | 25.5 | Very low | 26.3 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | trans | -66.1 | 81.7 | 161.7 | -76.9 | -178.5 | 177.4 | 175.3 | 0 | 108.3 | ||||
| 1031 | Q | 24 | Very low | 26.2 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -67.6 | 129.1 | 160.5 | -75.1 | -168.8 | -4 | 0 | 0 | 108 | L1029 K1033 | L1029-Q1031 PolarHBondContact O-N 3.12Å; Q1031-K1033 PolarHBondContact O-N 3.38Å | ||
| 1032 | P | 27 | Very low | 26.5 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 63% | 0.63 | 75% | 0.749 | S | S | * | * | trans | -67.7 | 128.1 | -171.8 | 27.5 | -31.7 | 0 | 0 | 0 | 109.3 | F1034 | P1032-F1034 HydrophobicContact CG-CE2 4.38Å; P1032-F1034 WeakPolarHBondContact O-CD2 3.25Å; P1032-F1034 PolarHBondContact O-N 3.33Å | ||
| 1033 | K | 24.4 | Very low | 27.1 | Very low | 211 Ų | 211 | 143.4 Ų | 143.4 | 92% | 0.917 | 74% | 0.739 | S | S | * | * | trans | -56.9 | 99.5 | 171.7 | -72.3 | -179.8 | 175.1 | -177.9 | 0 | 108.7 | Q1031 L1035 | Q1031-K1033 PolarHBondContact O-N 3.38Å; K1033-L1035 PolarHBondContact O-N 2.77Å | ||
| 1034 | F | 25.6 | Very low | 28.1 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 75% | 0.746 | 73% | 0.727 | S | S | * | * | trans | -65.7 | 118.1 | 165.8 | -82.9 | -87.6 | 0 | 0 | 0 | 107.6 | P1032 T1036 | P1032-F1034 HydrophobicContact CG-CE2 4.38Å; P1032-F1034 WeakPolarHBondContact O-CD2 3.25Å; P1032-F1034 PolarHBondContact O-N 3.33Å; F1034-T1036 VanDerWaalsContact C-N 3.3Å; F1034-T1036 PolarHBondContact O-N 3.34Å | ||
| 1035 | L | 22.7 | Very low | 29.4 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | trans | -65.7 | 90.9 | 166 | -89.6 | 144.6 | 0 | 0 | 0 | 108.1 | K1033 N1037 | K1033-L1035 PolarHBondContact O-N 2.77Å; L1035-N1037 PolarHBondContact O-N 3.5Å | ||
| 1036 | T | 28.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | trans | -75.8 | 93 | 165.3 | 41.2 | 0 | 0 | 0 | 0 | 108 | F1034 E1038 | F1034-T1036 VanDerWaalsContact C-N 3.3Å; F1034-T1036 PolarHBondContact O-N 3.34Å; T1036-E1038 PolarHBondContact O-N 3.14Å | ||
| 1037 | N | 25.3 | Very low | 33.6 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | trans | -67.8 | 75.9 | 156.1 | -81.7 | -4.9 | 0 | 0 | 0 | 107.3 | L1035 F1039 | L1035-N1037 PolarHBondContact O-N 3.5Å; N1037-F1039 PolarHBondContact O-N 3.4Å | ||
| 1038 | E | 28.9 | Very low | 36.3 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 73% | 0.729 | 64% | 0.64 | S | S | * | * | trans | -73.2 | 101.2 | 167.2 | -83.2 | 171.3 | -167.1 | 0 | 0 | 107 | T1036 | T1036-E1038 PolarHBondContact O-N 3.14Š| ||
| 1039 | F | 24.9 | Very low | 39.1 | Very low | 177 Ų | 177 | 116.5 Ų | 116.5 | 78% | 0.776 | 60% | 0.601 | S | S | * | * | trans | -44.4 | 135.9 | 151.7 | -73.4 | -91.6 | 0 | 0 | 0 | 107.7 | N1037 V1041 | N1037-F1039 PolarHBondContact O-N 3.4Å; F1039-V1041 VanDerWaalsContact C-N 3.26Å; F1039-V1041 PolarHBondContact O-N 2.72Å | ||
| 1040 | P | 28.4 | Very low | 42 | Very low | 96 Ų | 96 | 109 Ų | 109 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | trans | -65.1 | 94.6 | -177.3 | 28.1 | -31.8 | 0 | 0 | 0 | 107.4 | E1042 | P1040-E1042 PolarHBondContact O-N 3.14Å; P1040-E1042 VanDerWaalsContact O-N 3.07Å | ||
| 1041 | V | 33.3 | Very low | 44.7 | Very low | 112 Ų | 112 | 100.2 Ų | 100.2 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | trans | -59.4 | 114.7 | 165.5 | 178.7 | 0 | 0 | 0 | 0 | 104 | F1039 T1043 | F1039-V1041 VanDerWaalsContact C-N 3.26Å; F1039-V1041 PolarHBondContact O-N 2.72Å; V1041-T1043 PolarHBondContact O-N 3.38Å | ||
| 1042 | E | 33.4 | Very low | 47.5 | Very low | 122 Ų | 122 | 93 Ų | 93 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | trans | -57.7 | 92.7 | 170.6 | -75.3 | -177.7 | 165.6 | 0 | 0 | 107.5 | H215 P1040 P1044 | H215-E1042 IonicContact CE1-OE2 3.82Å; H215-E1042 IonicContact ND1-OE2 3.87Å; P1040-E1042 PolarHBondContact O-N 3.14Å; P1040-E1042 VanDerWaalsContact O-N 3.07Å; E1042-P1044 WeakPolarHBondContact O-CD 3.41Å | ||
| 1043 | T | 37.5 | Very low | 49.7 | Very low | 76 Ų | 76 | 94.3 Ų | 94.3 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 117.1 | 178.5 | 45.5 | 0 | 0 | 0 | 0 | 107.4 | V1041 S1045 S1063 | V1041-T1043 PolarHBondContact O-N 3.38Å; T1043-S1045 PolarHBondContact O-N 3.47Å; T1043-S1063 VanDerWaalsContact CB-OG 3.28Å; T1043-S1063 WeakPolarHBondContact CB-OG 3.44Å; T1043-S1063 WeakPolarHBondContact CG2-OG 3.43Å |
| 1044 | P | 45.2 | Very low | 51.8 | Low | 77 Ų | 77 | 86.3 Ų | 86.3 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 118.2 | 179.1 | 22.2 | -30.7 | 0 | 0 | 0 | 109.1 | E1042 Y1046 | E1042-P1044 WeakPolarHBondContact O-CD 3.41Å; P1044-Y1046 HydrophobicContact CB-CE2 4.02Å; P1044-Y1046 HydrophobicContact CG-CE2 3.8Å; P1044-Y1046 VanDerWaalsContact O-CD2 3.26Å; P1044-Y1046 WeakPolarHBondContact O-CD2 3.42Å; P1044-Y1046 WeakPolarHBondContact O-CE2 3.47Å |
| 1045 | S | 54.3 | Low | 54.1 | Low | 104 Ų | 104 | 79.9 Ų | 79.9 | 73% | 0.727 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 122.6 | 169.6 | 54.1 | 0 | 0 | 0 | 0 | 108.4 | T1043 | T1043-S1045 PolarHBondContact O-N 3.47Š|
| 1046 | Y | 63.8 | Low | 56.9 | Low | 74 Ų | 74 | 73.7 Ų | 73.7 | 29% | 0.29 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.9 | 176.7 | -64.4 | -88.1 | 0 | 0 | 0 | 109.6 | P1044 V1061 I1119 | P1044-Y1046 HydrophobicContact CB-CE2 4.02Å; P1044-Y1046 HydrophobicContact CG-CE2 3.8Å; P1044-Y1046 VanDerWaalsContact O-CD2 3.26Å; P1044-Y1046 WeakPolarHBondContact O-CD2 3.42Å; P1044-Y1046 WeakPolarHBondContact O-CE2 3.47Å; Y1046-V1061 PolarHBondContact N-O 3.45Å; Y1046-V1061 WeakPolarHBondContact O-CA 2.73Å; Y1046-V1061 PolarHBondContact O-N 3.12Å; Y1046-I1119 HydrophobicContact CD1-CG2 3.45Å; Y1046-I1119 VanDerWaalsContact CD1-CG2 3.45Å; Y1046-I1119 HydrophobicContact CD2-CG2 3.78Å; Y1046-I1119 HydrophobicContact CE1-CG2 4Å; Y1046-I1119 HydrophobicContact CE2-CG2 4.28Å; Y1046-I1119 HydrophobicContact CG-CG2 3.33Å |
| 1047 | S | 75 | Confident | 59.5 | Low | 28 Ų | 28 | 69.1 Ų | 69.1 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.6 | 170.5 | -71.1 | 0 | 0 | 0 | 0 | 109 | ||
| 1048 | V | 82.7 | Confident | 62.2 | Low | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.9 | 179.2 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | V1050 V1059 V1061 L1071 I1119 V1129 L1131 | V1048-V1050 HydrophobicContact CG1-CG2 4.26Å; V1048-V1059 PolarHBondContact N-O 2.79Å; V1048-V1059 PolarHBondContact O-N 3.44Å; V1048-V1061 HydrophobicContact CB-CG2 4.22Å; V1048-V1061 HydrophobicContact CG2-CG2 3.63Å; V1048-L1071 HydrophobicContact CB-CD1 4.31Å; V1048-L1071 HydrophobicContact CB-CD2 4.13Å; V1048-L1071 HydrophobicContact CG1-CD2 3.79Å; V1048-L1071 HydrophobicContact CG2-CD2 4.42Å; V1048-I1119 HydrophobicContact CG2-CD1 3.55Å; V1048-I1119 HydrophobicContact CG2-CG1 3.97Å; V1048-V1129 CarbonylContact C-O 3.59Å; V1048-V1129 WeakPolarHBondContact CA-O 3.32Å; V1048-V1129 HydrophobicContact CG1-CB 4.38Å; V1048-V1129 HydrophobicContact CG1-CG1 4.22Å; V1048-V1129 WeakPolarHBondContact CG1-O 3.34Å; V1048-V1129 HydrophobicContact CG2-CB 4.35Å; V1048-L1131 HydrophobicContact CG1-CB 4.44Å; V1048-L1131 HydrophobicContact CG1-CD1 3.52Å; V1048-L1131 HydrophobicContact CG1-CG 3.71Å |
| 1049 | K | 84.8 | Confident | 64.7 | Low | 14 Ų | 14 | 56.4 Ų | 56.4 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.9 | 177 | 176.2 | 172.9 | 166.4 | -159.3 | 0 | 109.1 | E179 L1058 V1128 V1129 E1130 L1131 | E179-K1049 HydrophobicContact CG-CD 4.37Å; K1049-L1058 HydrophobicContact CB-CD1 3.66Å; K1049-L1058 HydrophobicContact CG-CD1 4.46Å; K1049-V1128 HydrophobicContact CB-CG1 3.86Å; K1049-V1129 PolarHBondContact N-O 3.11Å; K1049-E1130 HydrophobicContact CB-CG 3.96Å; K1049-E1130 HydrophobicContact CD-CG 3.88Å; K1049-E1130 WeakPolarHBondContact CD-OE1 3.22Å; K1049-E1130 WeakPolarHBondContact CE-OE1 3.4Å; K1049-E1130 HydrophobicContact CG-CG 4.13Å; K1049-E1130 IonicContact NZ-OE1 3.13Å; K1049-E1130 PolarHBondContact NZ-OE1 3.06Å; K1049-E1130 CarbonylContact O-C 2.79Å; K1049-E1130 WeakPolarHBondContact O-CA 3.47Å; K1049-L1131 PolarHBondContact O-N 2.88Å |
| 1050 | V | 88 | Confident | 67.2 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 109.3 | -178.5 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | V1048 F1052 S1056 V1057 L1071 A1075 L1101 L1131 A1133 | V1048-V1050 HydrophobicContact CG1-CG2 4.26Å; V1050-F1052 HydrophobicContact CG1-CE2 4Å; V1050-F1052 HydrophobicContact CG1-CZ 4.36Å; V1050-S1056 CarbonylContact O-C 3.59Å; V1050-S1056 WeakPolarHBondContact O-CA 3.48Å; V1050-V1057 PolarHBondContact N-O 2.59Å; V1050-V1057 PolarHBondContact O-N 3.14Å; V1050-L1071 HydrophobicContact CG2-CD1 4.24Å; V1050-L1071 HydrophobicContact CG2-CD2 4.36Å; V1050-L1071 HydrophobicContact CG2-CG 4.18Å; V1050-A1075 HydrophobicContact CB-CB 3.77Å; V1050-A1075 HydrophobicContact CG1-CB 3.62Å; V1050-A1075 HydrophobicContact CG2-CB 3.97Å; V1050-L1101 HydrophobicContact CB-CD2 4.48Å; V1050-L1101 HydrophobicContact CG1-CD2 3.38Å; V1050-L1101 HydrophobicContact CG2-CD2 4.26Å; V1050-L1131 CarbonylContact C-O 3.01Å; V1050-L1131 WeakPolarHBondContact CA-O 3.45Å; V1050-L1131 HydrophobicContact CG2-CB 4.48Å; V1050-A1133 HydrophobicContact CG1-CB 3.32Å |
| 1051 | A | 81.1 | Confident | 69.3 | Low | 18 Ų | 18 | 46.8 Ų | 46.8 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 102.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1056 L1131 L1132 A1133 | A1051-S1056 WeakPolarHBondContact CB-OG 3.22Å; A1051-L1131 PolarHBondContact N-O 3.28Å; A1051-L1132 HydrophobicContact CB-CD2 4Å; A1051-L1132 CarbonylContact O-C 3.45Å; A1051-L1132 WeakPolarHBondContact O-CA 3.35Å; A1051-A1133 PolarHBondContact O-N 3.25Å |
| 1052 | F | 83.1 | Confident | 70.6 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 161.6 | 163.7 | -58.6 | -96.5 | 0 | 0 | 0 | 110.7 | V1050 D1054 I1055 V1057 A1075 Y1076 R1079 V1099 A1133 L1135 | V1050-F1052 HydrophobicContact CG1-CE2 4Å; V1050-F1052 HydrophobicContact CG1-CZ 4.36Å; F1052-D1054 WeakPolarHBondContact CB-OD1 3.35Å; F1052-D1054 PolarHBondContact O-N 3.3Å; F1052-D1054 VanDerWaalsContact O-N 3.1Å; F1052-I1055 VanDerWaalsContact CA-O 3.3Å; F1052-I1055 WeakPolarHBondContact CA-O 3.32Å; F1052-I1055 HydrophobicContact CB-CG2 4.33Å; F1052-I1055 WeakPolarHBondContact CB-O 3.39Å; F1052-I1055 HydrophobicContact CD2-CG2 4.31Å; F1052-I1055 PolarHBondContact N-O 3.13Å; F1052-I1055 PolarHBondContact O-N 3.19Å; F1052-V1057 HydrophobicContact CD2-CG2 3.88Å; F1052-V1057 HydrophobicContact CE2-CG2 3.8Å; F1052-A1075 HydrophobicContact CE2-CB 3.97Å; F1052-A1075 HydrophobicContact CZ-CB 4Å; F1052-Y1076 HydrophobicContact CE1-CD2 4.27Å; F1052-R1079 VanDerWaalsContact CD1-CD 3.48Å; F1052-R1079 HydrophobicContact CD2-CB 4.13Å; F1052-R1079 HydrophobicContact CD2-CG 4.41Å; F1052-R1079 HydrophobicContact CE2-CB 3.85Å; F1052-R1079 HydrophobicContact CZ-CB 4.21Å; F1052-V1099 HydrophobicContact CE1-CB 4.41Å; F1052-V1099 HydrophobicContact CE1-CG1 3.63Å; F1052-V1099 HydrophobicContact CE1-CG2 3.8Å; F1052-V1099 HydrophobicContact CZ-CG1 3.97Å; F1052-V1099 HydrophobicContact CZ-CG2 4.36Å; F1052-A1133 WeakPolarHBondContact CA-O 3.5Å; F1052-A1133 HydrophobicContact CD1-CB 3.46Å; F1052-A1133 VanDerWaalsContact CD1-CB 3.46Å; F1052-A1133 HydrophobicContact CD2-CB 4Å; F1052-A1133 HydrophobicContact CE1-CB 3.44Å; F1052-A1133 VanDerWaalsContact CE1-CB 3.44Å; F1052-A1133 HydrophobicContact CE2-CB 3.98Å; F1052-A1133 HydrophobicContact CG-CB 3.74Å; F1052-A1133 HydrophobicContact CZ-CB 3.69Å; F1052-L1135 HydrophobicContact CD1-CD1 3.91Å; F1052-L1135 HydrophobicContact CD1-CG 4.01Å; F1052-L1135 HydrophobicContact CE1-CD1 4.44Å; F1052-L1135 HydrophobicContact CE1-CD2 4.4Å; F1052-L1135 HydrophobicContact CE1-CG 4.22Å |
| 1053 | S | 73.7 | Confident | 71.5 | Confident | 125 Ų | 125 | 40.8 Ų | 40.8 | 87% | 0.874 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -54.4 | -30.1 | 177.1 | 59 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1054 | D | 68 | Low | 72.1 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -108.7 | -21.6 | -176.6 | 63.5 | -23.4 | 0 | 0 | 0 | 114.6 | R142 F1052 R1079 L1083 | R142-D1054 PolarHBondContact NH1-O 3.34Å; R142-D1054 PolarHBondContact NH2-O 3.09Å; F1052-D1054 WeakPolarHBondContact CB-OD1 3.35Å; F1052-D1054 PolarHBondContact O-N 3.3Å; F1052-D1054 VanDerWaalsContact O-N 3.1Å; D1054-R1079 IonicContact OD1-CZ 2.67Å; D1054-R1079 IonicContact OD1-NE 3.29Å; D1054-R1079 PolarHBondContact OD1-NE 3.07Å; D1054-R1079 IonicContact OD1-NH2 2.92Å; D1054-R1079 PolarHBondContact OD1-NH2 3.5Å; D1054-R1079 IonicContact OD2-CZ 2.73Å; D1054-R1079 IonicContact OD2-NE 3.34Å; D1054-R1079 PolarHBondContact OD2-NE 2.96Å; D1054-R1079 IonicContact OD2-NH2 3.58Å; D1054-R1079 PolarHBondContact OD2-NH2 3.1Å; D1054-L1083 WeakPolarHBondContact OD2-CD1 3.3Å |
| 1055 | I | 74 | Confident | 72.2 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 18% | 0.179 | 26% | 0.258 | C | S | . | . | trans | -155.6 | 145.7 | -178.4 | -167.1 | 165.1 | 0 | 0 | 0 | 111.9 | F1052 V1057 R1079 L1082 | F1052-I1055 VanDerWaalsContact CA-O 3.3Å; F1052-I1055 WeakPolarHBondContact CA-O 3.32Å; F1052-I1055 HydrophobicContact CB-CG2 4.33Å; F1052-I1055 WeakPolarHBondContact CB-O 3.39Å; F1052-I1055 HydrophobicContact CD2-CG2 4.31Å; F1052-I1055 PolarHBondContact N-O 3.13Å; F1052-I1055 PolarHBondContact O-N 3.19Å; I1055-V1057 HydrophobicContact CG2-CG2 4.2Å; I1055-R1079 HydrophobicContact CG2-CB 4.14Å; I1055-R1079 HydrophobicContact CG2-CG 3.68Å; I1055-L1082 HydrophobicContact CD1-CB 3.66Å; I1055-L1082 HydrophobicContact CD1-CD1 3.78Å; I1055-L1082 HydrophobicContact CD1-CG 4.3Å | ||
| 1056 | S | 82.2 | Confident | 72.7 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 142.9 | 167.9 | -52.1 | 0 | 0 | 0 | 0 | 110.8 | V1050 A1051 | V1050-S1056 CarbonylContact O-C 3.59Å; V1050-S1056 WeakPolarHBondContact O-CA 3.48Å; A1051-S1056 WeakPolarHBondContact CB-OG 3.22Å |
| 1057 | V | 82.2 | Confident | 73.1 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 120.7 | -173.7 | -165.1 | 0 | 0 | 0 | 0 | 109 | V1050 F1052 I1055 R1078 R1079 L1082 | V1050-V1057 PolarHBondContact N-O 2.59Å; V1050-V1057 PolarHBondContact O-N 3.14Å; F1052-V1057 HydrophobicContact CD2-CG2 3.88Å; F1052-V1057 HydrophobicContact CE2-CG2 3.8Å; I1055-V1057 HydrophobicContact CG2-CG2 4.2Å; V1057-R1078 HydrophobicContact CG1-CB 3.38Å; V1057-R1078 HydrophobicContact CG1-CG 4.27Å; V1057-R1079 HydrophobicContact CG2-CB 4.06Å; V1057-L1082 HydrophobicContact CG1-CD1 4.3Å; V1057-L1082 HydrophobicContact CG2-CD1 4.34Å |
| 1058 | L | 82.3 | Confident | 73.2 | Confident | 30 Ų | 30 | 39 Ų | 39 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.6 | 173.6 | -159.1 | 74.6 | 0 | 0 | 0 | 110.2 | D175 K1049 R1078 V1128 | D175-L1058 HydrophobicContact CB-CD2 4.19Å; K1049-L1058 HydrophobicContact CB-CD1 3.66Å; K1049-L1058 HydrophobicContact CG-CD1 4.46Å; L1058-R1078 PolarHBondContact O-NH1 3.15Å; L1058-V1128 HydrophobicContact CD1-CG1 3.94Å |
| 1059 | V | 81.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117 | 176.6 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | V1048 W1070 L1071 E1074 A1075 | V1048-V1059 PolarHBondContact N-O 2.79Å; V1048-V1059 PolarHBondContact O-N 3.44Å; V1059-W1070 HydrophobicContact CG1-CH2 3.87Å; V1059-W1070 HydrophobicContact CG1-CZ3 4.06Å; V1059-L1071 HydrophobicContact CB-CD1 3.49Å; V1059-L1071 VanDerWaalsContact CB-CD1 3.49Å; V1059-L1071 HydrophobicContact CG1-CD1 3.6Å; V1059-L1071 HydrophobicContact CG2-CD1 3.94Å; V1059-E1074 HydrophobicContact CG1-CB 4.32Å; V1059-E1074 HydrophobicContact CG1-CG 3.72Å; V1059-A1075 HydrophobicContact CG2-CB 3.95Å |
| 1060 | P | 76.4 | Confident | 72.9 | Confident | 67 Ų | 67 | 43.2 Ų | 43.2 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134.9 | 172.1 | 29 | -31.1 | 0 | 0 | 0 | 109.9 | ||
| 1061 | V | 71.9 | Confident | 72.9 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.5 | -175.7 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | Y1046 V1048 L1071 L1115 I1119 | Y1046-V1061 PolarHBondContact N-O 3.45Å; Y1046-V1061 WeakPolarHBondContact O-CA 2.73Å; Y1046-V1061 PolarHBondContact O-N 3.12Å; V1048-V1061 HydrophobicContact CB-CG2 4.22Å; V1048-V1061 HydrophobicContact CG2-CG2 3.63Å; V1061-L1071 HydrophobicContact CG2-CD1 4.16Å; V1061-L1115 HydrophobicContact CB-CD1 4.47Å; V1061-L1115 HydrophobicContact CG1-CB 3.84Å; V1061-L1115 HydrophobicContact CG1-CD1 3.43Å; V1061-L1115 VanDerWaalsContact CG1-CD1 3.43Å; V1061-L1115 HydrophobicContact CG1-CG 4.24Å; V1061-L1115 HydrophobicContact CG2-CD1 4.17Å; V1061-I1119 HydrophobicContact CB-CD1 3.87Å; V1061-I1119 HydrophobicContact CG1-CD1 3.7Å; V1061-I1119 HydrophobicContact CG2-CD1 4.04Å |
| 1062 | D | 61 | Low | 73 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 32% | 0.316 | 24% | 0.242 | S | C | . | . | trans | -88.2 | 162.1 | 174.7 | 59.5 | 13.9 | 0 | 0 | 0 | 111.8 | M1064 R1066 | D1062-M1064 PolarHBondContact O-N 3.08Å; D1062-R1066 VanDerWaalsContact OD1-CD 3.3Å; D1062-R1066 WeakPolarHBondContact OD1-CD 3.25Å; D1062-R1066 WeakPolarHBondContact OD1-CG 3.1Å; D1062-R1066 IonicContact OD1-CZ 3.17Å; D1062-R1066 IonicContact OD1-NE 2.72Å; D1062-R1066 PolarHBondContact OD1-NE 3.34Å; D1062-R1066 IonicContact OD1-NH2 2.72Å; D1062-R1066 IonicContact OD2-CZ 3.85Å; D1062-R1066 VanDerWaalsContact OD2-CZ 3.27Å; D1062-R1066 IonicContact OD2-NE 3.03Å; D1062-R1066 PolarHBondContact OD2-NE 3.26Å; D1062-R1066 VanDerWaalsContact OD2-NE 3.09Å; D1062-R1066 IonicContact OD2-NH2 3.91Å; D1062-R1066 PolarHBondContact OD2-NH2 2.9Å | ||
| 1063 | S | 52.1 | Low | 72.8 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -68.8 | -13.9 | 179.1 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | T1043 S1065 | T1043-S1063 VanDerWaalsContact CB-OG 3.28Å; T1043-S1063 WeakPolarHBondContact CB-OG 3.44Å; T1043-S1063 WeakPolarHBondContact CG2-OG 3.43Å; S1063-S1065 VanDerWaalsContact C-N 3.32Å; S1063-S1065 PolarHBondContact O-N 3.14Å |
| 1064 | M | 51.3 | Low | 73.3 | Confident | 141 Ų | 141 | 40.1 Ų | 40.1 | 70% | 0.695 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -78.9 | 75.3 | -177.3 | -71.5 | -105 | 76.3 | 0 | 0 | 111.4 | D1062 R1066 | D1062-M1064 PolarHBondContact O-N 3.08Å; M1064-R1066 VanDerWaalsContact C-N 3.27Å; M1064-R1066 PolarHBondContact O-N 3.35Å |
| 1065 | S | 46 | Very low | 74.2 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | trans | 43.9 | 32.5 | 157.5 | -53.7 | 0 | 0 | 0 | 0 | 118.2 | S1063 R1114 | S1063-S1065 VanDerWaalsContact C-N 3.32Å; S1063-S1065 PolarHBondContact O-N 3.14Å; S1065-R1114 WeakPolarHBondContact O-CD 3.45Å; S1065-R1114 PolarHBondContact O-NH1 3.03Å | ||
| 1066 | R | 65.5 | Low | 74.6 | Confident | 91 Ų | 91 | 37 Ų | 37 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | trans | -71.7 | 147.9 | 174.6 | -63.2 | -172.4 | -166.5 | -143.3 | -0.7 | 111.2 | D1062 M1064 W1070 L1115 | D1062-R1066 VanDerWaalsContact OD1-CD 3.3Å; D1062-R1066 WeakPolarHBondContact OD1-CD 3.25Å; D1062-R1066 WeakPolarHBondContact OD1-CG 3.1Å; D1062-R1066 IonicContact OD1-CZ 3.17Å; D1062-R1066 IonicContact OD1-NE 2.72Å; D1062-R1066 PolarHBondContact OD1-NE 3.34Å; D1062-R1066 IonicContact OD1-NH2 2.72Å; D1062-R1066 IonicContact OD2-CZ 3.85Å; D1062-R1066 VanDerWaalsContact OD2-CZ 3.27Å; D1062-R1066 IonicContact OD2-NE 3.03Å; D1062-R1066 PolarHBondContact OD2-NE 3.26Å; D1062-R1066 VanDerWaalsContact OD2-NE 3.09Å; D1062-R1066 IonicContact OD2-NH2 3.91Å; D1062-R1066 PolarHBondContact OD2-NH2 2.9Å; M1064-R1066 VanDerWaalsContact C-N 3.27Å; M1064-R1066 PolarHBondContact O-N 3.35Å; R1066-W1070 HydrophobicContact CB-CD2 4.27Å; R1066-W1070 HydrophobicContact CB-CE3 3.87Å; R1066-W1070 HydrophobicContact CB-CZ3 4.47Å; R1066-W1070 HydrophobicContact CG-CD2 4.41Å; R1066-W1070 HydrophobicContact CG-CE3 4.28Å; R1066-W1070 VanDerWaalsContact NH1-CE2 3.31Å; R1066-L1115 HydrophobicContact CB-CD1 3.92Å; R1066-L1115 WeakPolarHBondContact O-CB 3.47Å; R1066-L1115 WeakPolarHBondContact O-CG 3.27Å; R1066-L1115 PolarHBondContact O-N 3.24Å | ||
| 1067 | S | 72.1 | Confident | 74.4 | Confident | 29 Ų | 29 | 38.9 Ų | 38.9 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -92.6 | 159.6 | -179.5 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | S1069 W1070 L1071 P1111 D1113 | S1067-S1069 PolarHBondContact O-N 3.5Å; S1067-W1070 WeakPolarHBondContact O-CB 3.31Å; S1067-W1070 PolarHBondContact O-N 2.89Å; S1067-W1070 PolarHBondContact OG-N 2.95Å; S1067-L1071 PolarHBondContact O-N 3.44Å; S1067-L1071 VanDerWaalsContact O-N 3.15Å; S1067-P1111 WeakPolarHBondContact CB-O 3.41Å; S1067-D1113 CarbonylContact C-O 3.42Å; S1067-D1113 WeakPolarHBondContact CA-O 3.12Å |
| 1068 | V | 76.8 | Confident | 74.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -34.7 | 171 | 171.6 | 0 | 0 | 0 | 0 | 111 | W1070 L1071 A1072 L1101 L1109 L1110 D1113 L1115 I1118 | V1068-W1070 VanDerWaalsContact C-N 3.3Å; V1068-W1070 PolarHBondContact O-N 3.33Å; V1068-L1071 WeakPolarHBondContact O-CB 3.42Å; V1068-L1071 PolarHBondContact O-N 2.97Å; V1068-L1071 VanDerWaalsContact O-N 3.14Å; V1068-A1072 WeakPolarHBondContact O-CB 3.3Å; V1068-A1072 PolarHBondContact O-N 3.05Å; V1068-L1101 HydrophobicContact CG1-CB 4.15Å; V1068-L1101 HydrophobicContact CG1-CD1 4.02Å; V1068-L1101 HydrophobicContact CG1-CG 4.45Å; V1068-L1109 HydrophobicContact CB-CB 4.41Å; V1068-L1109 HydrophobicContact CG1-CB 3.61Å; V1068-L1109 HydrophobicContact CG1-CD1 4.47Å; V1068-L1109 HydrophobicContact CG2-CB 3.96Å; V1068-L1109 HydrophobicContact CG2-CD1 4.29Å; V1068-L1110 VanDerWaalsContact CB-O 3.28Å; V1068-L1110 WeakPolarHBondContact CB-O 3.36Å; V1068-D1113 HydrophobicContact CG2-CB 3.83Å; V1068-D1113 PolarHBondContact N-O 3.15Å; V1068-L1115 HydrophobicContact CG2-CD2 3.85Å; V1068-I1118 HydrophobicContact CG2-CD1 3.36Å |
| 1069 | S | 75.2 | Confident | 74.5 | Confident | 33 Ų | 33 | 42 Ų | 42 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.9 | -45.7 | 172.6 | -177 | 0 | 0 | 0 | 0 | 111.7 | S1067 L1071 A1072 T1073 Q1097 P1111 | S1067-S1069 PolarHBondContact O-N 3.5Å; S1069-L1071 VanDerWaalsContact C-N 3.34Å; S1069-A1072 PolarHBondContact O-N 3.13Å; S1069-T1073 WeakPolarHBondContact O-CB 3.32Å; S1069-T1073 PolarHBondContact O-N 3.27Å; S1069-T1073 PolarHBondContact O-OG1 2.91Å; S1069-Q1097 PolarHBondContact OG-NE2 2.97Å; S1069-P1111 VanDerWaalsContact CB-O 3.23Å; S1069-P1111 WeakPolarHBondContact CB-O 3.49Å; S1069-P1111 PolarHBondContact N-O 2.92Å |
| 1070 | W | 85.3 | Confident | 74.3 | Confident | 72 Ų | 72 | 43.2 Ų | 43.2 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 177.4 | 172.7 | 85.7 | 0 | 0 | 0 | 111.1 | V1059 R1066 S1067 V1068 A1072 T1073 E1074 L1115 | V1059-W1070 HydrophobicContact CG1-CH2 3.87Å; V1059-W1070 HydrophobicContact CG1-CZ3 4.06Å; R1066-W1070 HydrophobicContact CB-CD2 4.27Å; R1066-W1070 HydrophobicContact CB-CE3 3.87Å; R1066-W1070 HydrophobicContact CB-CZ3 4.47Å; R1066-W1070 HydrophobicContact CG-CD2 4.41Å; R1066-W1070 HydrophobicContact CG-CE3 4.28Å; R1066-W1070 VanDerWaalsContact NH1-CE2 3.31Å; S1067-W1070 WeakPolarHBondContact O-CB 3.31Å; S1067-W1070 PolarHBondContact O-N 2.89Å; S1067-W1070 PolarHBondContact OG-N 2.95Å; V1068-W1070 VanDerWaalsContact C-N 3.3Å; V1068-W1070 PolarHBondContact O-N 3.33Å; W1070-A1072 VanDerWaalsContact C-N 3.33Å; W1070-A1072 PolarHBondContact O-N 3.17Å; W1070-T1073 PolarHBondContact O-N 3.01Å; W1070-E1074 HydrophobicContact CH2-CB 4.4Å; W1070-E1074 HydrophobicContact CH2-CG 4.15Å; W1070-E1074 HydrophobicContact CZ2-CB 4.05Å; W1070-E1074 HydrophobicContact CZ2-CG 3.88Å; W1070-E1074 VanDerWaalsContact O-CB 3.28Å; W1070-E1074 WeakPolarHBondContact O-CB 3.17Å; W1070-E1074 PolarHBondContact O-N 3.28Å; W1070-L1115 HydrophobicContact CE3-CD1 4.09Å; W1070-L1115 HydrophobicContact CZ3-CD1 4.36Å |
| 1071 | L | 87.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 177.4 | -179.1 | 63.1 | 0 | 0 | 0 | 111.7 | V1048 V1050 V1059 V1061 S1067 V1068 S1069 E1074 A1075 L1101 L1115 L1131 | V1048-L1071 HydrophobicContact CB-CD1 4.31Å; V1048-L1071 HydrophobicContact CB-CD2 4.13Å; V1048-L1071 HydrophobicContact CG1-CD2 3.79Å; V1048-L1071 HydrophobicContact CG2-CD2 4.42Å; V1050-L1071 HydrophobicContact CG2-CD1 4.24Å; V1050-L1071 HydrophobicContact CG2-CD2 4.36Å; V1050-L1071 HydrophobicContact CG2-CG 4.18Å; V1059-L1071 HydrophobicContact CB-CD1 3.49Å; V1059-L1071 VanDerWaalsContact CB-CD1 3.49Å; V1059-L1071 HydrophobicContact CG1-CD1 3.6Å; V1059-L1071 HydrophobicContact CG2-CD1 3.94Å; V1061-L1071 HydrophobicContact CG2-CD1 4.16Å; S1067-L1071 PolarHBondContact O-N 3.44Å; S1067-L1071 VanDerWaalsContact O-N 3.15Å; V1068-L1071 WeakPolarHBondContact O-CB 3.42Å; V1068-L1071 PolarHBondContact O-N 2.97Å; V1068-L1071 VanDerWaalsContact O-N 3.14Å; S1069-L1071 VanDerWaalsContact C-N 3.34Å; L1071-E1074 PolarHBondContact O-N 3.44Å; L1071-A1075 WeakPolarHBondContact O-CB 3.37Å; L1071-A1075 PolarHBondContact O-N 2.88Å; L1071-L1101 HydrophobicContact CB-CD1 3.87Å; L1071-L1101 HydrophobicContact CD2-CD1 3.68Å; L1071-L1101 HydrophobicContact CG-CD1 3.58Å; L1071-L1115 HydrophobicContact CB-CD1 3.91Å; L1071-L1115 HydrophobicContact CB-CD2 4.11Å; L1071-L1115 HydrophobicContact CD2-CD1 4.44Å; L1071-L1115 HydrophobicContact CD2-CD2 3.59Å; L1071-L1115 HydrophobicContact CG-CD2 4.46Å; L1071-L1131 HydrophobicContact CD2-CD1 3.69Å |
| 1072 | A | 83.3 | Confident | 73.9 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1068 S1069 W1070 A1075 Y1076 V1099 L1101 | V1068-A1072 WeakPolarHBondContact O-CB 3.3Å; V1068-A1072 PolarHBondContact O-N 3.05Å; S1069-A1072 PolarHBondContact O-N 3.13Å; W1070-A1072 VanDerWaalsContact C-N 3.33Å; W1070-A1072 PolarHBondContact O-N 3.17Å; A1072-A1075 PolarHBondContact O-N 2.88Å; A1072-Y1076 WeakPolarHBondContact O-CB 3.38Å; A1072-Y1076 PolarHBondContact O-N 2.94Å; A1072-V1099 HydrophobicContact CB-CB 4.21Å; A1072-V1099 HydrophobicContact CB-CG1 4.14Å; A1072-V1099 WeakPolarHBondContact CB-O 3.19Å; A1072-L1101 HydrophobicContact CB-CD1 3.82Å; A1072-L1101 HydrophobicContact CB-CD2 4.33Å; A1072-L1101 HydrophobicContact CB-CG 3.74Å |
| 1073 | T | 80.2 | Confident | 74.5 | Confident | 59 Ų | 59 | 48.8 Ų | 48.8 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | S1069 W1070 Y1076 R1077 I1089 | S1069-T1073 WeakPolarHBondContact O-CB 3.32Å; S1069-T1073 PolarHBondContact O-N 3.27Å; S1069-T1073 PolarHBondContact O-OG1 2.91Å; W1070-T1073 PolarHBondContact O-N 3.01Å; T1073-Y1076 PolarHBondContact O-N 3Å; T1073-R1077 WeakPolarHBondContact O-CB 3.3Å; T1073-R1077 PolarHBondContact O-N 2.93Å; T1073-I1089 HydrophobicContact CG2-CD1 3.44Å; T1073-I1089 VanDerWaalsContact CG2-CD1 3.44Å; T1073-I1089 HydrophobicContact CG2-CG1 4.37Å; T1073-I1089 HydrophobicContact CG2-CG2 4.48Å |
| 1074 | E | 83.3 | Confident | 75 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.1 | -41 | 179.8 | -179.2 | 58.1 | -164.4 | 0 | 0 | 111.9 | V1059 W1070 L1071 Y1076 R1077 R1078 | V1059-E1074 HydrophobicContact CG1-CB 4.32Å; V1059-E1074 HydrophobicContact CG1-CG 3.72Å; W1070-E1074 HydrophobicContact CH2-CB 4.4Å; W1070-E1074 HydrophobicContact CH2-CG 4.15Å; W1070-E1074 HydrophobicContact CZ2-CB 4.05Å; W1070-E1074 HydrophobicContact CZ2-CG 3.88Å; W1070-E1074 VanDerWaalsContact O-CB 3.28Å; W1070-E1074 WeakPolarHBondContact O-CB 3.17Å; W1070-E1074 PolarHBondContact O-N 3.28Å; L1071-E1074 PolarHBondContact O-N 3.44Å; E1074-Y1076 VanDerWaalsContact C-N 3.3Å; E1074-Y1076 PolarHBondContact O-N 3.12Å; E1074-R1077 PolarHBondContact O-N 3.19Å; E1074-R1077 IonicContact OE1-CZ 3.86Å; E1074-R1077 IonicContact OE1-NE 3.12Å; E1074-R1077 IonicContact OE1-NH2 3.38Å; E1074-R1077 PolarHBondContact OE1-NH2 2.87Å; E1074-R1077 IonicContact OE2-CZ 3.76Å; E1074-R1077 IonicContact OE2-NE 3.66Å; E1074-R1077 PolarHBondContact OE2-NE 3.22Å; E1074-R1077 IonicContact OE2-NH2 3.88Å; E1074-R1077 PolarHBondContact OE2-NH2 2.95Å; E1074-R1078 WeakPolarHBondContact O-CB 3.32Å; E1074-R1078 WeakPolarHBondContact O-CG 3.27Å; E1074-R1078 PolarHBondContact O-N 3.46Å; E1074-R1078 IonicContact OE1-CZ 4Å; E1074-R1078 IonicContact OE1-NE 3.89Å; E1074-R1078 PolarHBondContact OE1-NE 2.91Å; E1074-R1078 IonicContact OE1-NH2 3.95Å; E1074-R1078 PolarHBondContact OE1-NH2 3.21Å |
| 1075 | A | 86.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1050 F1052 V1059 L1071 A1072 R1078 R1079 | V1050-A1075 HydrophobicContact CB-CB 3.77Å; V1050-A1075 HydrophobicContact CG1-CB 3.62Å; V1050-A1075 HydrophobicContact CG2-CB 3.97Å; F1052-A1075 HydrophobicContact CE2-CB 3.97Å; F1052-A1075 HydrophobicContact CZ-CB 4Å; V1059-A1075 HydrophobicContact CG2-CB 3.95Å; L1071-A1075 WeakPolarHBondContact O-CB 3.37Å; L1071-A1075 PolarHBondContact O-N 2.88Å; A1072-A1075 PolarHBondContact O-N 2.88Å; A1075-R1078 PolarHBondContact O-N 3.02Å; A1075-R1079 WeakPolarHBondContact O-CB 3.34Å; A1075-R1079 PolarHBondContact O-N 2.6Å |
| 1076 | Y | 83.1 | Confident | 76 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -46.5 | 176.1 | -171.8 | -122.3 | 0 | 0 | 0 | 112.7 | F1052 A1072 T1073 E1074 R1078 R1079 Q1080 L1098 V1099 L1135 | F1052-Y1076 HydrophobicContact CE1-CD2 4.27Å; A1072-Y1076 WeakPolarHBondContact O-CB 3.38Å; A1072-Y1076 PolarHBondContact O-N 2.94Å; T1073-Y1076 PolarHBondContact O-N 3Å; E1074-Y1076 VanDerWaalsContact C-N 3.3Å; E1074-Y1076 PolarHBondContact O-N 3.12Å; Y1076-R1078 VanDerWaalsContact C-N 3.29Å; Y1076-R1078 PolarHBondContact O-N 3.09Å; Y1076-R1079 CarbonylContact O-C 3.3Å; Y1076-R1079 WeakPolarHBondContact O-CA 3.39Å; Y1076-R1079 WeakPolarHBondContact O-CB 2.96Å; Y1076-R1079 PolarHBondContact O-N 3.35Å; Y1076-R1079 VanDerWaalsContact O-N 3.12Å; Y1076-Q1080 HydrophobicContact CD1-CG 4.28Å; Y1076-Q1080 HydrophobicContact CD2-CG 4.46Å; Y1076-Q1080 HydrophobicContact CE1-CG 3.97Å; Y1076-Q1080 HydrophobicContact CE2-CG 4.14Å; Y1076-Q1080 WeakPolarHBondContact O-CG 3.19Å; Y1076-Q1080 PolarHBondContact O-N 3.35Å; Y1076-Q1080 PolarHBondContact OH-NE2 3.18Å; Y1076-L1098 HydrophobicContact CE1-CB 4.4Å; Y1076-L1098 HydrophobicContact CE1-CD1 4.25Å; Y1076-L1098 HydrophobicContact CE1-CD2 4.23Å; Y1076-V1099 HydrophobicContact CD1-CG2 4.44Å; Y1076-V1099 HydrophobicContact CD2-CG2 3.45Å; Y1076-V1099 VanDerWaalsContact CD2-CG2 3.45Å; Y1076-V1099 HydrophobicContact CE2-CG2 4.24Å; Y1076-V1099 HydrophobicContact CG-CG2 3.54Å; Y1076-L1135 HydrophobicContact CD2-CD2 3.48Å; Y1076-L1135 VanDerWaalsContact CD2-CD2 3.48Å; Y1076-L1135 HydrophobicContact CE2-CD1 4.49Å; Y1076-L1135 HydrophobicContact CE2-CD2 3.08Å; Y1076-L1135 HydrophobicContact CE2-CG 4.37Å |
| 1077 | R | 78 | Confident | 75.1 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 28% | 0.275 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 178 | -168.9 | -172.1 | 70.2 | 82.9 | 3.7 | 110.7 | T1073 E1074 Q1080 I1081 I1089 | T1073-R1077 WeakPolarHBondContact O-CB 3.3Å; T1073-R1077 PolarHBondContact O-N 2.93Å; E1074-R1077 PolarHBondContact O-N 3.19Å; E1074-R1077 IonicContact OE1-CZ 3.86Å; E1074-R1077 IonicContact OE1-NE 3.12Å; E1074-R1077 IonicContact OE1-NH2 3.38Å; E1074-R1077 PolarHBondContact OE1-NH2 2.87Å; E1074-R1077 IonicContact OE2-CZ 3.76Å; E1074-R1077 IonicContact OE2-NE 3.66Å; E1074-R1077 PolarHBondContact OE2-NE 3.22Å; E1074-R1077 IonicContact OE2-NH2 3.88Å; E1074-R1077 PolarHBondContact OE2-NH2 2.95Å; R1077-Q1080 PolarHBondContact O-N 3.28Å; R1077-I1081 HydrophobicContact CG-CD1 4.42Å; R1077-I1081 VanDerWaalsContact NH1-CD1 3.34Å; R1077-I1081 WeakPolarHBondContact O-CG1 3.38Å; R1077-I1081 PolarHBondContact O-N 3.21Å; R1077-I1089 HydrophobicContact CB-CD1 4.1Å; R1077-I1089 HydrophobicContact CB-CG1 4.31Å; R1077-I1089 HydrophobicContact CG-CD1 4.18Å; R1077-I1089 HydrophobicContact CG-CG1 4.38Å |
| 1078 | R | 84 | Confident | 74.2 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 175.5 | -73.4 | 178 | -174.5 | -142.6 | -6.5 | 112.2 | V1057 L1058 E1074 A1075 Y1076 Q1080 I1081 L1082 | V1057-R1078 HydrophobicContact CG1-CB 3.38Å; V1057-R1078 HydrophobicContact CG1-CG 4.27Å; L1058-R1078 PolarHBondContact O-NH1 3.15Å; E1074-R1078 WeakPolarHBondContact O-CB 3.32Å; E1074-R1078 WeakPolarHBondContact O-CG 3.27Å; E1074-R1078 PolarHBondContact O-N 3.46Å; E1074-R1078 IonicContact OE1-CZ 4Å; E1074-R1078 IonicContact OE1-NE 3.89Å; E1074-R1078 PolarHBondContact OE1-NE 2.91Å; E1074-R1078 IonicContact OE1-NH2 3.95Å; E1074-R1078 PolarHBondContact OE1-NH2 3.21Å; A1075-R1078 PolarHBondContact O-N 3.02Å; Y1076-R1078 VanDerWaalsContact C-N 3.29Å; Y1076-R1078 PolarHBondContact O-N 3.09Å; R1078-Q1080 PolarHBondContact O-N 2.77Å; R1078-I1081 PolarHBondContact O-N 3.09Å; R1078-L1082 WeakPolarHBondContact O-CB 2.81Å; R1078-L1082 VanDerWaalsContact O-CG 3.29Å; R1078-L1082 WeakPolarHBondContact O-CG 3.42Å; R1078-L1082 PolarHBondContact O-N 3.48Å |
| 1079 | R | 83.2 | Confident | 73.1 | Confident | 30 Ų | 30 | 59 Ų | 59 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 170.3 | 166.5 | 170.9 | -178.3 | -73.2 | 0.3 | 111.4 | F1052 D1054 I1055 V1057 A1075 Y1076 I1081 L1082 L1083 | F1052-R1079 VanDerWaalsContact CD1-CD 3.48Å; F1052-R1079 HydrophobicContact CD2-CB 4.13Å; F1052-R1079 HydrophobicContact CD2-CG 4.41Å; F1052-R1079 HydrophobicContact CE2-CB 3.85Å; F1052-R1079 HydrophobicContact CZ-CB 4.21Å; D1054-R1079 IonicContact OD1-CZ 2.67Å; D1054-R1079 IonicContact OD1-NE 3.29Å; D1054-R1079 PolarHBondContact OD1-NE 3.07Å; D1054-R1079 IonicContact OD1-NH2 2.92Å; D1054-R1079 PolarHBondContact OD1-NH2 3.5Å; D1054-R1079 IonicContact OD2-CZ 2.73Å; D1054-R1079 IonicContact OD2-NE 3.34Å; D1054-R1079 PolarHBondContact OD2-NE 2.96Å; D1054-R1079 IonicContact OD2-NH2 3.58Å; D1054-R1079 PolarHBondContact OD2-NH2 3.1Å; I1055-R1079 HydrophobicContact CG2-CB 4.14Å; I1055-R1079 HydrophobicContact CG2-CG 3.68Å; V1057-R1079 HydrophobicContact CG2-CB 4.06Å; A1075-R1079 WeakPolarHBondContact O-CB 3.34Å; A1075-R1079 PolarHBondContact O-N 2.6Å; Y1076-R1079 CarbonylContact O-C 3.3Å; Y1076-R1079 WeakPolarHBondContact O-CA 3.39Å; Y1076-R1079 WeakPolarHBondContact O-CB 2.96Å; Y1076-R1079 PolarHBondContact O-N 3.35Å; Y1076-R1079 VanDerWaalsContact O-N 3.12Å; R1079-I1081 VanDerWaalsContact C-N 3.34Å; R1079-I1081 PolarHBondContact O-N 2.89Å; R1079-L1082 PolarHBondContact O-N 3.37Å; R1079-L1083 HydrophobicContact CG-CD1 3.7Å; R1079-L1083 HydrophobicContact CG-CG 4.3Å; R1079-L1083 WeakPolarHBondContact O-CB 3.46Å; R1079-L1083 VanDerWaalsContact O-CG 3.3Å; R1079-L1083 WeakPolarHBondContact O-CG 3.3Å; R1079-L1083 PolarHBondContact O-N 3.16Å |
| 1080 | Q | 78.2 | Confident | 71.7 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 178.9 | -70.1 | -62.7 | -20.6 | 0 | 0 | 111.6 | Y1076 R1077 R1078 L1082 L1083 G1084 F1085 | Y1076-Q1080 HydrophobicContact CD1-CG 4.28Å; Y1076-Q1080 HydrophobicContact CD2-CG 4.46Å; Y1076-Q1080 HydrophobicContact CE1-CG 3.97Å; Y1076-Q1080 HydrophobicContact CE2-CG 4.14Å; Y1076-Q1080 WeakPolarHBondContact O-CG 3.19Å; Y1076-Q1080 PolarHBondContact O-N 3.35Å; Y1076-Q1080 PolarHBondContact OH-NE2 3.18Å; R1077-Q1080 PolarHBondContact O-N 3.28Å; R1078-Q1080 PolarHBondContact O-N 2.77Å; Q1080-L1082 PolarHBondContact O-N 3.09Å; Q1080-L1083 CarbonylContact O-C 3.54Å; Q1080-L1083 PolarHBondContact O-N 2.76Å; Q1080-G1084 PolarHBondContact O-N 3.13Å; Q1080-F1085 HydrophobicContact CB-CB 4.33Å; Q1080-F1085 PolarHBondContact O-N 3.37Å; Q1080-F1085 VanDerWaalsContact OE1-CG 3.29Å |
| 1081 | I | 70.8 | Confident | 69.8 | Low | 84 Ų | 84 | 64.8 Ų | 64.8 | 43% | 0.431 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.2 | -67.7 | 165 | 0 | 0 | 0 | 111.1 | R1077 R1078 R1079 L1083 G1084 | R1077-I1081 HydrophobicContact CG-CD1 4.42Å; R1077-I1081 VanDerWaalsContact NH1-CD1 3.34Å; R1077-I1081 WeakPolarHBondContact O-CG1 3.38Å; R1077-I1081 PolarHBondContact O-N 3.21Å; R1078-I1081 PolarHBondContact O-N 3.09Å; R1079-I1081 VanDerWaalsContact C-N 3.34Å; R1079-I1081 PolarHBondContact O-N 2.89Å; I1081-L1083 VanDerWaalsContact C-N 3.29Å; I1081-L1083 PolarHBondContact O-N 2.97Å; I1081-G1084 PolarHBondContact O-N 3.35Å; I1081-G1084 VanDerWaalsContact O-N 3.08Å |
| 1082 | L | 68.7 | Low | 67.6 | Low | 108 Ų | 108 | 66.4 Ų | 66.4 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.1 | -30.1 | -180 | -72.1 | 169.1 | 0 | 0 | 0 | 112.9 | I1055 V1057 R1078 R1079 Q1080 G1084 | I1055-L1082 HydrophobicContact CD1-CB 3.66Å; I1055-L1082 HydrophobicContact CD1-CD1 3.78Å; I1055-L1082 HydrophobicContact CD1-CG 4.3Å; V1057-L1082 HydrophobicContact CG1-CD1 4.3Å; V1057-L1082 HydrophobicContact CG2-CD1 4.34Å; R1078-L1082 WeakPolarHBondContact O-CB 2.81Å; R1078-L1082 VanDerWaalsContact O-CG 3.29Å; R1078-L1082 WeakPolarHBondContact O-CG 3.42Å; R1078-L1082 PolarHBondContact O-N 3.48Å; R1079-L1082 PolarHBondContact O-N 3.37Å; Q1080-L1082 PolarHBondContact O-N 3.09Å; L1082-G1084 VanDerWaalsContact C-N 3.3Å |
| 1083 | L | 72.9 | Confident | 65.8 | Low | 54 Ų | 54 | 76.2 Ų | 76.2 | 28% | 0.283 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -83.5 | -4.3 | 174 | -66.9 | 175.7 | 0 | 0 | 0 | 113.3 | D1054 R1079 Q1080 I1081 F1085 | D1054-L1083 WeakPolarHBondContact OD2-CD1 3.3Å; R1079-L1083 HydrophobicContact CG-CD1 3.7Å; R1079-L1083 HydrophobicContact CG-CG 4.3Å; R1079-L1083 WeakPolarHBondContact O-CB 3.46Å; R1079-L1083 VanDerWaalsContact O-CG 3.3Å; R1079-L1083 WeakPolarHBondContact O-CG 3.3Å; R1079-L1083 PolarHBondContact O-N 3.16Å; Q1080-L1083 CarbonylContact O-C 3.54Å; Q1080-L1083 PolarHBondContact O-N 2.76Å; I1081-L1083 VanDerWaalsContact C-N 3.29Å; I1081-L1083 PolarHBondContact O-N 2.97Å; L1083-F1085 HydrophobicContact CB-CD2 3.62Å; L1083-F1085 HydrophobicContact CB-CE2 3.78Å; L1083-F1085 HydrophobicContact CD1-CE2 4.42Å |
| 1084 | G | 63.4 | Low | 64 | Low | 69 Ų | 69 | 77.2 Ų | 77.2 | 71% | 0.711 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 18.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1080 I1081 L1082 | Q1080-G1084 PolarHBondContact O-N 3.13Å; I1081-G1084 PolarHBondContact O-N 3.35Å; I1081-G1084 VanDerWaalsContact O-N 3.08Å; L1082-G1084 VanDerWaalsContact C-N 3.3Å |
| 1085 | F | 63.7 | Low | 62.1 | Low | 132 Ų | 132 | 78.9 Ų | 78.9 | 58% | 0.579 | 44% | 0.436 | S | S | * | . | trans | -94.8 | 158.5 | 176.5 | -63.9 | -70.2 | 0 | 0 | 0 | 112.1 | Q1080 L1083 S1087 | Q1080-F1085 HydrophobicContact CB-CB 4.33Å; Q1080-F1085 PolarHBondContact O-N 3.37Å; Q1080-F1085 VanDerWaalsContact OE1-CG 3.29Å; L1083-F1085 HydrophobicContact CB-CD2 3.62Å; L1083-F1085 HydrophobicContact CB-CE2 3.78Å; L1083-F1085 HydrophobicContact CD1-CE2 4.42Å; F1085-S1087 PolarHBondContact O-N 3.24Å | ||
| 1086 | N | 53.6 | Low | 60.3 | Low | 140 Ų | 140 | 84.1 Ų | 84.1 | 75% | 0.749 | 46% | 0.46 | S | S | * | . | trans | -67.7 | 131.8 | -176.6 | -137.7 | -4.6 | 0 | 0 | 0 | 111 | N1088 | N1086-N1088 PolarHBondContact O-N 3.18Š| ||
| 1087 | S | 47.3 | Very low | 59 | Low | 53 Ų | 53 | 86.5 Ų | 86.5 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | trans | -70.8 | 2.1 | -168.7 | 68.8 | 0 | 0 | 0 | 0 | 116.3 | F1085 I1089 | F1085-S1087 PolarHBondContact O-N 3.24Å; S1087-I1089 PolarHBondContact O-N 2.9Å | ||
| 1088 | N | 52 | Low | 58.4 | Low | 132 Ų | 132 | 83.8 Ų | 83.8 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | trans | -70.2 | 102.1 | 177 | -71.9 | -10.3 | 0 | 0 | 0 | 109.2 | N1086 P1090 | N1086-N1088 PolarHBondContact O-N 3.18Å; N1088-P1090 WeakPolarHBondContact O-CD 3.36Å | ||
| 1089 | I | 53.5 | Low | 57.9 | Low | 60 Ų | 60 | 80.6 Ų | 80.6 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | trans | -64.2 | 120.5 | 171.5 | -58.6 | 147.5 | 0 | 0 | 0 | 106.8 | T1073 R1077 S1087 I1091 L1098 | T1073-I1089 HydrophobicContact CG2-CD1 3.44Å; T1073-I1089 VanDerWaalsContact CG2-CD1 3.44Å; T1073-I1089 HydrophobicContact CG2-CG1 4.37Å; T1073-I1089 HydrophobicContact CG2-CG2 4.48Å; R1077-I1089 HydrophobicContact CB-CD1 4.1Å; R1077-I1089 HydrophobicContact CB-CG1 4.31Å; R1077-I1089 HydrophobicContact CG-CD1 4.18Å; R1077-I1089 HydrophobicContact CG-CG1 4.38Å; S1087-I1089 PolarHBondContact O-N 2.9Å; I1089-I1091 PolarHBondContact O-N 2.78Å; I1089-L1098 HydrophobicContact CG2-CD1 3.83Å | ||
| 1090 | P | 45.8 | Very low | 57.5 | Low | 58 Ų | 58 | 83.7 Ų | 83.7 | 38% | 0.377 | 46% | 0.463 | S | S | . | . | trans | -62 | 116.9 | 177.2 | 18.2 | -23 | 0 | 0 | 0 | 109 | N1088 T1092 L1098 | N1088-P1090 WeakPolarHBondContact O-CD 3.36Å; P1090-T1092 PolarHBondContact O-N 3.49Å; P1090-T1092 VanDerWaalsContact O-N 3.13Å; P1090-L1098 HydrophobicContact CG-CD1 3.96Å; P1090-L1098 HydrophobicContact CG-CD2 4.46Å | ||
| 1091 | I | 45.4 | Very low | 57.6 | Low | 167 Ų | 167 | 82.5 Ų | 82.5 | 86% | 0.856 | 46% | 0.457 | S | S | * | . | trans | -67.1 | 108.3 | 170.1 | -57.3 | 169.8 | 0 | 0 | 0 | 105.7 | I1089 | I1089-I1091 PolarHBondContact O-N 2.78Š| ||
| 1092 | T | 43.6 | Very low | 57.5 | Low | 34 Ų | 34 | 78.5 Ų | 78.5 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | trans | -74.3 | 121.6 | 172 | 44.2 | 0 | 0 | 0 | 0 | 107.8 | P1090 S1094 G1095 E1096 I1139 | P1090-T1092 PolarHBondContact O-N 3.49Å; P1090-T1092 VanDerWaalsContact O-N 3.13Å; T1092-S1094 PolarHBondContact O-N 3.19Å; T1092-S1094 VanDerWaalsContact O-N 3.09Å; T1092-G1095 PolarHBondContact O-N 3.5Å; T1092-G1095 VanDerWaalsContact O-N 3.08Å; T1092-E1096 PolarHBondContact OG1-O 3.03Å; T1092-I1139 HydrophobicContact CG2-CD1 4.44Å; T1092-I1139 HydrophobicContact CG2-CG2 3.83Å | ||
| 1093 | E | 43.9 | Very low | 57.7 | Low | 210 Ų | 210 | 73.7 Ų | 73.7 | 98% | 0.981 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.6 | 176.9 | -72.7 | -178.5 | 166 | 0 | 0 | 112.3 | ||
| 1094 | S | 42 | Very low | 56.8 | Low | 80 Ų | 80 | 79 Ų | 79 | 56% | 0.559 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.5 | 178.5 | 57.7 | 0 | 0 | 0 | 0 | 115.2 | T1092 E1096 | T1092-S1094 PolarHBondContact O-N 3.19Å; T1092-S1094 VanDerWaalsContact O-N 3.09Å; S1094-E1096 PolarHBondContact O-N 3.35Å |
| 1095 | G | 43.7 | Very low | 56.3 | Low | 61 Ų | 61 | 79.8 Ų | 79.8 | 63% | 0.629 | 42% | 0.416 | S | S | * | . | trans | 68.4 | 7.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1092 | T1092-G1095 PolarHBondContact O-N 3.5Å; T1092-G1095 VanDerWaalsContact O-N 3.08Å | ||
| 1096 | E | 49.4 | Very low | 55.4 | Low | 111 Ų | 111 | 77.2 Ų | 77.2 | 52% | 0.519 | 40% | 0.402 | S | S | . | . | trans | -69 | 135.8 | 176.9 | -71.1 | 178.9 | 173.6 | 0 | 0 | 111.5 | T1092 S1094 I1139 | T1092-E1096 PolarHBondContact OG1-O 3.03Å; S1094-E1096 PolarHBondContact O-N 3.35Å; E1096-I1139 HydrophobicContact CB-CD1 4.27Å | ||
| 1097 | Q | 55.2 | Low | 55.3 | Low | 63 Ų | 63 | 71.3 Ų | 71.3 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -84.8 | 125.3 | -173.9 | -64.6 | -170.6 | -16.3 | 0 | 0 | 112.5 | S1069 V1099 P1111 | S1069-Q1097 PolarHBondContact OG-NE2 2.97Å; Q1097-V1099 VanDerWaalsContact C-N 3.28Å; Q1097-V1099 PolarHBondContact O-N 3.36Å; Q1097-P1111 VanDerWaalsContact CD-CB 3.42Å | ||
| 1098 | L | 65.3 | Low | 55.7 | Low | 16 Ų | 16 | 70.2 Ų | 70.2 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -63.3 | -29.5 | 177.7 | -84.2 | 144.8 | 0 | 0 | 0 | 114 | Y1076 I1089 P1090 N1136 I1139 | Y1076-L1098 HydrophobicContact CE1-CB 4.4Å; Y1076-L1098 HydrophobicContact CE1-CD1 4.25Å; Y1076-L1098 HydrophobicContact CE1-CD2 4.23Å; I1089-L1098 HydrophobicContact CG2-CD1 3.83Å; P1090-L1098 HydrophobicContact CG-CD1 3.96Å; P1090-L1098 HydrophobicContact CG-CD2 4.46Å; L1098-N1136 PolarHBondContact O-N 3.32Å; L1098-N1136 VanDerWaalsContact O-N 3.11Å; L1098-I1139 HydrophobicContact CD2-CB 4.14Å; L1098-I1139 HydrophobicContact CD2-CG2 3.72Å; L1098-I1139 HydrophobicContact CG-CG2 4.3Å |
| 1099 | V | 75.1 | Confident | 56.5 | Low | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 130.3 | -173.6 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | F1052 A1072 Y1076 Q1097 L1101 A1133 E1134 L1135 | F1052-V1099 HydrophobicContact CE1-CB 4.41Å; F1052-V1099 HydrophobicContact CE1-CG1 3.63Å; F1052-V1099 HydrophobicContact CE1-CG2 3.8Å; F1052-V1099 HydrophobicContact CZ-CG1 3.97Å; F1052-V1099 HydrophobicContact CZ-CG2 4.36Å; A1072-V1099 HydrophobicContact CB-CB 4.21Å; A1072-V1099 HydrophobicContact CB-CG1 4.14Å; A1072-V1099 WeakPolarHBondContact CB-O 3.19Å; Y1076-V1099 HydrophobicContact CD1-CG2 4.44Å; Y1076-V1099 HydrophobicContact CD2-CG2 3.45Å; Y1076-V1099 VanDerWaalsContact CD2-CG2 3.45Å; Y1076-V1099 HydrophobicContact CE2-CG2 4.24Å; Y1076-V1099 HydrophobicContact CG-CG2 3.54Å; Q1097-V1099 VanDerWaalsContact C-N 3.28Å; Q1097-V1099 PolarHBondContact O-N 3.36Å; V1099-L1101 HydrophobicContact CG1-CD2 4.14Å; V1099-A1133 HydrophobicContact CG1-CB 3.9Å; V1099-E1134 VanDerWaalsContact CA-O 3.3Å; V1099-E1134 WeakPolarHBondContact CA-O 3.23Å; V1099-L1135 HydrophobicContact CG2-CD2 3.59Å; V1099-L1135 HydrophobicContact CG2-CG 4.4Å |
| 1100 | R | 73.4 | Confident | 56.9 | Low | 95 Ų | 95 | 63.9 Ų | 63.9 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144.1 | 173.3 | -82.3 | -179.7 | 173.3 | 172.1 | -4.6 | 110.1 | L1108 A1133 E1134 | R1100-L1108 HydrophobicContact CB-CD1 3.74Å; R1100-L1108 HydrophobicContact CG-CD1 4.15Å; R1100-A1133 VanDerWaalsContact O-CA 3.27Å; R1100-A1133 WeakPolarHBondContact O-CA 3.27Å; R1100-E1134 PolarHBondContact N-O 2.88Å; R1100-E1134 PolarHBondContact O-N 3.22Å |
| 1101 | L | 80.6 | Confident | 57.5 | Low | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131 | -178.5 | -62 | -176.1 | 0 | 0 | 0 | 111.5 | V1050 V1068 L1071 A1072 V1099 L1108 L1109 L1131 L1132 A1133 | V1050-L1101 HydrophobicContact CB-CD2 4.48Å; V1050-L1101 HydrophobicContact CG1-CD2 3.38Å; V1050-L1101 HydrophobicContact CG2-CD2 4.26Å; V1068-L1101 HydrophobicContact CG1-CB 4.15Å; V1068-L1101 HydrophobicContact CG1-CD1 4.02Å; V1068-L1101 HydrophobicContact CG1-CG 4.45Å; L1071-L1101 HydrophobicContact CB-CD1 3.87Å; L1071-L1101 HydrophobicContact CD2-CD1 3.68Å; L1071-L1101 HydrophobicContact CG-CD1 3.58Å; A1072-L1101 HydrophobicContact CB-CD1 3.82Å; A1072-L1101 HydrophobicContact CB-CD2 4.33Å; A1072-L1101 HydrophobicContact CB-CG 3.74Å; V1099-L1101 HydrophobicContact CG1-CD2 4.14Å; L1101-L1108 WeakPolarHBondContact O-CD1 3.44Å; L1101-L1109 WeakPolarHBondContact O-CB 3.22Å; L1101-L1109 PolarHBondContact O-N 3.34Å; L1101-L1131 HydrophobicContact CB-CD1 4.42Å; L1101-L1131 HydrophobicContact CD1-CD1 4.27Å; L1101-L1132 CarbonylContact C-O 3.57Å; L1101-L1132 VanDerWaalsContact CA-O 3.31Å; L1101-L1132 WeakPolarHBondContact CA-O 3.49Å; L1101-A1133 HydrophobicContact CD2-CB 3.72Å |
| 1102 | C | 68.2 | Low | 58.1 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 155.8 | -179.7 | -39.7 | 0 | 0 | 0 | 0 | 110.7 | A1107 L1108 L1131 L1132 | C1102-A1107 CarbonylContact C-O 3.15Å; C1102-A1107 WeakPolarHBondContact CA-O 3.36Å; C1102-L1108 VanDerWaalsContact SG-CD1 3.58Å; C1102-L1131 CarbonylContact O-C 3.6Å; C1102-L1131 WeakPolarHBondContact O-CA 3.36Å; C1102-L1131 VanDerWaalsContact O-CB 3.28Å; C1102-L1131 WeakPolarHBondContact O-CB 3.34Å; C1102-L1131 WeakPolarHBondContact O-CD2 3.17Å; C1102-L1132 HydrophobicContact CB-CB 4.46Å; C1102-L1132 PolarHBondContact N-O 2.85Å; C1102-L1132 PolarHBondContact O-N 3.34Å |
| 1103 | T | 72.5 | Confident | 59.1 | Low | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | trans | -72.2 | 176 | 170 | 58.2 | 0 | 0 | 0 | 0 | 111.5 | D1105 R1106 A1107 L1109 L1122 L1131 | T1103-D1105 VanDerWaalsContact C-N 3.33Å; T1103-D1105 WeakPolarHBondContact CB-OD1 3.39Å; T1103-D1105 PolarHBondContact O-N 3.43Å; T1103-D1105 PolarHBondContact OG1-OD1 3.36Å; T1103-R1106 WeakPolarHBondContact O-CA 3.47Å; T1103-R1106 PolarHBondContact O-N 3.42Å; T1103-A1107 HydrophobicContact CG2-CB 4.3Å; T1103-A1107 PolarHBondContact N-O 3.41Å; T1103-A1107 WeakPolarHBondContact OG1-CA 3.42Å; T1103-A1107 WeakPolarHBondContact OG1-CB 3.49Å; T1103-A1107 PolarHBondContact OG1-N 2.66Å; T1103-A1107 PolarHBondContact OG1-O 3.43Å; T1103-L1109 HydrophobicContact CG2-CD2 4Å; T1103-L1109 HydrophobicContact CG2-CG 4.41Å; T1103-L1122 HydrophobicContact CG2-CD1 3.89Å; T1103-L1122 HydrophobicContact CG2-CD2 3.59Å; T1103-L1122 HydrophobicContact CG2-CG 4.41Å; T1103-L1131 HydrophobicContact CG2-CD2 4.16Å | ||
| 1104 | R | 54.1 | Low | 60.3 | Low | 164 Ų | 164 | 56.9 Ų | 56.9 | 62% | 0.619 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33.6 | 177.8 | -110.8 | -174.2 | 175.2 | -171 | -1.3 | 113.8 | R1106 E1130 | R1104-R1106 PolarHBondContact O-N 2.83Å; R1104-E1130 HydrophobicContact CG-CB 4.38Å; R1104-E1130 IonicContact CZ-OE2 2.77Å; R1104-E1130 IonicContact NE-OE2 3.57Å; R1104-E1130 PolarHBondContact NE-OE2 3Å; R1104-E1130 IonicContact NH2-OE1 2.9Å; R1104-E1130 IonicContact NH2-OE2 2.98Å; R1104-E1130 PolarHBondContact NH2-OE2 3.48Å |
| 1105 | D | 53.2 | Low | 61.6 | Low | 86 Ų | 86 | 53.2 Ų | 53.2 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 8.3 | 167.8 | 61.9 | -34.9 | 0 | 0 | 0 | 112.3 | T1103 A1107 N1192 | T1103-D1105 VanDerWaalsContact C-N 3.33Å; T1103-D1105 WeakPolarHBondContact CB-OD1 3.39Å; T1103-D1105 PolarHBondContact O-N 3.43Å; T1103-D1105 PolarHBondContact OG1-OD1 3.36Å; D1105-A1107 VanDerWaalsContact C-N 3.33Å; D1105-A1107 PolarHBondContact O-N 3.02Å; D1105-N1192 WeakPolarHBondContact O-CB 3.46Å; D1105-N1192 PolarHBondContact O-ND2 3.16Å; D1105-N1192 VanDerWaalsContact O-ND2 3.11Å; D1105-N1192 PolarHBondContact O-OD1 3.35Å; D1105-N1192 VanDerWaalsContact O-OD1 3.08Å |
| 1106 | R | 45.9 | Very low | 62.6 | Low | 78 Ų | 78 | 55.7 Ų | 55.7 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | trans | 66.4 | 21.2 | 174.5 | -45 | -145.4 | -157.9 | 163.6 | 14.1 | 116.2 | T1103 R1104 L1108 L1132 N1192 L1193 S1194 | T1103-R1106 WeakPolarHBondContact O-CA 3.47Å; T1103-R1106 PolarHBondContact O-N 3.42Å; R1104-R1106 PolarHBondContact O-N 2.83Å; R1106-L1108 PolarHBondContact O-N 2.98Å; R1106-L1132 HydrophobicContact CG-CD1 4Å; R1106-N1192 HydrophobicContact CB-CB 3.78Å; R1106-N1192 WeakPolarHBondContact CD-O 3.44Å; R1106-N1192 HydrophobicContact CG-CB 3.91Å; R1106-N1192 PolarHBondContact NE-O 3.38Å; R1106-N1192 PolarHBondContact NH1-O 2.76Å; R1106-N1192 PolarHBondContact NH2-O 2.81Å; R1106-L1193 PolarHBondContact NH1-O 3.25Å; R1106-S1194 VanDerWaalsContact CD-OG 3.22Å; R1106-S1194 WeakPolarHBondContact CD-OG 3.36Å; R1106-S1194 PolarHBondContact NH1-OG 2.9Å | ||
| 1107 | A | 51.2 | Low | 63.2 | Low | 16 Ų | 16 | 53.4 Ų | 53.4 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 119.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | C1102 T1103 D1105 L1109 M1262 | C1102-A1107 CarbonylContact C-O 3.15Å; C1102-A1107 WeakPolarHBondContact CA-O 3.36Å; T1103-A1107 HydrophobicContact CG2-CB 4.3Å; T1103-A1107 PolarHBondContact N-O 3.41Å; T1103-A1107 WeakPolarHBondContact OG1-CA 3.42Å; T1103-A1107 WeakPolarHBondContact OG1-CB 3.49Å; T1103-A1107 PolarHBondContact OG1-N 2.66Å; T1103-A1107 PolarHBondContact OG1-O 3.43Å; D1105-A1107 VanDerWaalsContact C-N 3.33Å; D1105-A1107 PolarHBondContact O-N 3.02Å; A1107-L1109 PolarHBondContact O-N 2.98Å; A1107-M1262 HydrophobicContact CB-CE 3.39Å |
| 1108 | L | 55.1 | Low | 63.7 | Low | 31 Ų | 31 | 51.4 Ų | 51.4 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133.3 | 176.2 | -176.4 | 84.2 | 0 | 0 | 0 | 111 | R1100 L1101 C1102 R1106 S1225 L1264 | R1100-L1108 HydrophobicContact CB-CD1 3.74Å; R1100-L1108 HydrophobicContact CG-CD1 4.15Å; L1101-L1108 WeakPolarHBondContact O-CD1 3.44Å; C1102-L1108 VanDerWaalsContact SG-CD1 3.58Å; R1106-L1108 PolarHBondContact O-N 2.98Å; L1108-S1225 WeakPolarHBondContact CB-OG 3.35Å; L1108-L1264 HydrophobicContact CD2-CD1 4.1Å |
| 1109 | L | 68.5 | Low | 64 | Low | 16 Ų | 16 | 50.9 Ų | 50.9 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 128.8 | 171.4 | -59.6 | -179.5 | 0 | 0 | 0 | 109.5 | V1068 L1101 T1103 A1107 I1118 L1131 | V1068-L1109 HydrophobicContact CB-CB 4.41Å; V1068-L1109 HydrophobicContact CG1-CB 3.61Å; V1068-L1109 HydrophobicContact CG1-CD1 4.47Å; V1068-L1109 HydrophobicContact CG2-CB 3.96Å; V1068-L1109 HydrophobicContact CG2-CD1 4.29Å; L1101-L1109 WeakPolarHBondContact O-CB 3.22Å; L1101-L1109 PolarHBondContact O-N 3.34Å; T1103-L1109 HydrophobicContact CG2-CD2 4Å; T1103-L1109 HydrophobicContact CG2-CG 4.41Å; A1107-L1109 PolarHBondContact O-N 2.98Å; L1109-I1118 HydrophobicContact CD1-CD1 4.42Å; L1109-I1118 HydrophobicContact CD1-CG2 4.21Å; L1109-I1118 HydrophobicContact CD2-CD1 4.03Å; L1109-I1118 HydrophobicContact CD2-CG1 4.49Å; L1109-I1118 HydrophobicContact CD2-CG2 3.8Å; L1109-L1131 HydrophobicContact CD1-CD1 3.49Å; L1109-L1131 VanDerWaalsContact CD1-CD1 3.49Å; L1109-L1131 HydrophobicContact CD1-CD2 3.61Å; L1109-L1131 HydrophobicContact CD1-CG 4.2Å |
| 1110 | L | 63 | Low | 63.4 | Low | 42 Ų | 42 | 53.2 Ų | 53.2 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -71 | 138.8 | 178.8 | -72.2 | 168 | 0 | 0 | 0 | 109.4 | V1068 T1112 D1113 L1264 P1304 | V1068-L1110 VanDerWaalsContact CB-O 3.28Å; V1068-L1110 WeakPolarHBondContact CB-O 3.36Å; L1110-T1112 PolarHBondContact O-N 3.12Å; L1110-T1112 VanDerWaalsContact O-N 3.07Å; L1110-D1113 WeakPolarHBondContact CB-OD2 3.48Å; L1110-D1113 PolarHBondContact N-OD2 3.39Å; L1110-D1113 VanDerWaalsContact O-CB 3.27Å; L1110-D1113 WeakPolarHBondContact O-CB 3.15Å; L1110-D1113 PolarHBondContact O-N 3.14Å; L1110-L1264 HydrophobicContact CD1-CD2 4.21Å; L1110-L1264 HydrophobicContact CD2-CD1 3.48Å; L1110-L1264 VanDerWaalsContact CD2-CD1 3.48Å; L1110-L1264 HydrophobicContact CD2-CD2 3.58Å; L1110-L1264 HydrophobicContact CD2-CG 4.18Å; L1110-L1264 HydrophobicContact CG-CD2 4.08Å; L1110-P1304 HydrophobicContact CD1-CG 4.35Å |
| 1111 | P | 57.9 | Low | 62.7 | Low | 37 Ų | 37 | 53.2 Ų | 53.2 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.8 | -179.6 | 12.9 | -24.7 | 0 | 0 | 0 | 115.5 | S1067 S1069 Q1097 D1113 | S1067-P1111 WeakPolarHBondContact CB-O 3.41Å; S1069-P1111 VanDerWaalsContact CB-O 3.23Å; S1069-P1111 WeakPolarHBondContact CB-O 3.49Å; S1069-P1111 PolarHBondContact N-O 2.92Å; Q1097-P1111 VanDerWaalsContact CD-CB 3.42Å; P1111-D1113 VanDerWaalsContact C-N 3.31Å |
| 1112 | T | 58.3 | Low | 61.6 | Low | 108 Ų | 108 | 55 Ų | 55 | 66% | 0.663 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.3 | 175.4 | 46.7 | 0 | 0 | 0 | 0 | 113.3 | L1110 | L1110-T1112 PolarHBondContact O-N 3.12Å; L1110-T1112 VanDerWaalsContact O-N 3.07Å |
| 1113 | D | 64.7 | Low | 61 | Low | 49 Ų | 49 | 56.4 Ų | 56.4 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -63.6 | 140.8 | -176.6 | -65.6 | -22.9 | 0 | 0 | 0 | 110.4 | S1067 V1068 L1110 P1111 I1118 | S1067-D1113 CarbonylContact C-O 3.42Å; S1067-D1113 WeakPolarHBondContact CA-O 3.12Å; V1068-D1113 HydrophobicContact CG2-CB 3.83Å; V1068-D1113 PolarHBondContact N-O 3.15Å; L1110-D1113 WeakPolarHBondContact CB-OD2 3.48Å; L1110-D1113 PolarHBondContact N-OD2 3.39Å; L1110-D1113 VanDerWaalsContact O-CB 3.27Å; L1110-D1113 WeakPolarHBondContact O-CB 3.15Å; L1110-D1113 PolarHBondContact O-N 3.14Å; P1111-D1113 VanDerWaalsContact C-N 3.31Å; D1113-I1118 HydrophobicContact CB-CD1 3.28Å; D1113-I1118 HydrophobicContact CB-CG1 4.21Å |
| 1114 | R | 68.2 | Low | 59.9 | Low | 129 Ų | 129 | 63.9 Ų | 63.9 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -87.3 | 127 | 179.5 | -62.8 | -71 | -175.9 | 174 | -2 | 108.9 | S1065 F1116 S1117 I1118 | S1065-R1114 WeakPolarHBondContact O-CD 3.45Å; S1065-R1114 PolarHBondContact O-NH1 3.03Å; R1114-F1116 HydrophobicContact CB-CD1 3.5Å; R1114-F1116 HydrophobicContact CB-CE1 3.38Å; R1114-F1116 HydrophobicContact CB-CZ 4.35Å; R1114-F1116 HydrophobicContact CG-CD1 4.34Å; R1114-F1116 HydrophobicContact CG-CE1 3.84Å; R1114-F1116 PolarHBondContact O-N 3.49Å; R1114-F1116 VanDerWaalsContact O-N 3.16Å; R1114-S1117 WeakPolarHBondContact O-CB 3.47Å; R1114-S1117 PolarHBondContact O-N 3.24Å; R1114-S1117 PolarHBondContact O-OG 2.99Å; R1114-I1118 PolarHBondContact O-N 3.44Å |
| 1115 | L | 69.5 | Low | 59.4 | Low | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -34.6 | -177.3 | -68 | 171.1 | 0 | 0 | 0 | 112.5 | V1061 R1066 V1068 W1070 L1071 S1117 I1118 I1119 | V1061-L1115 HydrophobicContact CB-CD1 4.47Å; V1061-L1115 HydrophobicContact CG1-CB 3.84Å; V1061-L1115 HydrophobicContact CG1-CD1 3.43Å; V1061-L1115 VanDerWaalsContact CG1-CD1 3.43Å; V1061-L1115 HydrophobicContact CG1-CG 4.24Å; V1061-L1115 HydrophobicContact CG2-CD1 4.17Å; R1066-L1115 HydrophobicContact CB-CD1 3.92Å; R1066-L1115 WeakPolarHBondContact O-CB 3.47Å; R1066-L1115 WeakPolarHBondContact O-CG 3.27Å; R1066-L1115 PolarHBondContact O-N 3.24Å; V1068-L1115 HydrophobicContact CG2-CD2 3.85Å; W1070-L1115 HydrophobicContact CE3-CD1 4.09Å; W1070-L1115 HydrophobicContact CZ3-CD1 4.36Å; L1071-L1115 HydrophobicContact CB-CD1 3.91Å; L1071-L1115 HydrophobicContact CB-CD2 4.11Å; L1071-L1115 HydrophobicContact CD2-CD1 4.44Å; L1071-L1115 HydrophobicContact CD2-CD2 3.59Å; L1071-L1115 HydrophobicContact CG-CD2 4.46Å; L1115-S1117 PolarHBondContact O-N 3.1Å; L1115-I1118 PolarHBondContact O-N 3.42Å; L1115-I1118 VanDerWaalsContact O-N 3.13Å; L1115-I1119 HydrophobicContact CB-CD1 3.84Å; L1115-I1119 HydrophobicContact CB-CG1 4.37Å; L1115-I1119 HydrophobicContact CD2-CD1 4.47Å; L1115-I1119 WeakPolarHBondContact O-CB 3.38Å; L1115-I1119 VanDerWaalsContact O-CG1 3.28Å; L1115-I1119 WeakPolarHBondContact O-CG1 3.23Å; L1115-I1119 PolarHBondContact O-N 2.9Å |
| 1116 | F | 65.2 | Low | 59.2 | Low | 114 Ų | 114 | 58.1 Ų | 58.1 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -24.4 | 176.5 | 85.1 | -96.1 | 0 | 0 | 0 | 113.4 | R1114 P1120 | R1114-F1116 HydrophobicContact CB-CD1 3.5Å; R1114-F1116 HydrophobicContact CB-CE1 3.38Å; R1114-F1116 HydrophobicContact CB-CZ 4.35Å; R1114-F1116 HydrophobicContact CG-CD1 4.34Å; R1114-F1116 HydrophobicContact CG-CE1 3.84Å; R1114-F1116 PolarHBondContact O-N 3.49Å; R1114-F1116 VanDerWaalsContact O-N 3.16Å; F1116-P1120 WeakPolarHBondContact O-CD 3.44Å; F1116-P1120 VanDerWaalsContact O-CG 3.29Å; F1116-P1120 WeakPolarHBondContact O-CG 3.48Å |
| 1117 | S | 61.9 | Low | 59.3 | Low | 62 Ų | 62 | 56.5 Ų | 56.5 | 43% | 0.434 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -85.3 | -27.4 | 177.6 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | R1114 L1115 | R1114-S1117 WeakPolarHBondContact O-CB 3.47Å; R1114-S1117 PolarHBondContact O-N 3.24Å; R1114-S1117 PolarHBondContact O-OG 2.99Å; L1115-S1117 PolarHBondContact O-N 3.1Å |
| 1118 | I | 65.4 | Low | 59.5 | Low | 21 Ų | 21 | 58 Ų | 58 | 11% | 0.108 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -93.6 | -45.3 | -174.8 | -61.9 | 163.1 | 0 | 0 | 0 | 111.6 | V1068 L1109 D1113 R1114 L1115 V1121 L1122 | V1068-I1118 HydrophobicContact CG2-CD1 3.36Å; L1109-I1118 HydrophobicContact CD1-CD1 4.42Å; L1109-I1118 HydrophobicContact CD1-CG2 4.21Å; L1109-I1118 HydrophobicContact CD2-CD1 4.03Å; L1109-I1118 HydrophobicContact CD2-CG1 4.49Å; L1109-I1118 HydrophobicContact CD2-CG2 3.8Å; D1113-I1118 HydrophobicContact CB-CD1 3.28Å; D1113-I1118 HydrophobicContact CB-CG1 4.21Å; R1114-I1118 PolarHBondContact O-N 3.44Å; L1115-I1118 PolarHBondContact O-N 3.42Å; L1115-I1118 VanDerWaalsContact O-N 3.13Å; I1118-V1121 WeakPolarHBondContact O-CB 3.45Å; I1118-V1121 PolarHBondContact O-N 2.86Å; I1118-V1121 VanDerWaalsContact O-N 3.12Å; I1118-L1122 HydrophobicContact CG2-CD1 3.39Å; I1118-L1122 HydrophobicContact CG2-CG 3.81Å; I1118-L1122 PolarHBondContact O-N 3.2Å |
| 1119 | I | 71.5 | Confident | 60.1 | Low | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | -170.9 | -71.1 | 175.4 | 0 | 0 | 0 | 112.6 | Y1046 V1048 V1061 L1115 V1121 L1122 S1123 V1129 | Y1046-I1119 HydrophobicContact CD1-CG2 3.45Å; Y1046-I1119 VanDerWaalsContact CD1-CG2 3.45Å; Y1046-I1119 HydrophobicContact CD2-CG2 3.78Å; Y1046-I1119 HydrophobicContact CE1-CG2 4Å; Y1046-I1119 HydrophobicContact CE2-CG2 4.28Å; Y1046-I1119 HydrophobicContact CG-CG2 3.33Å; V1048-I1119 HydrophobicContact CG2-CD1 3.55Å; V1048-I1119 HydrophobicContact CG2-CG1 3.97Å; V1061-I1119 HydrophobicContact CB-CD1 3.87Å; V1061-I1119 HydrophobicContact CG1-CD1 3.7Å; V1061-I1119 HydrophobicContact CG2-CD1 4.04Å; L1115-I1119 HydrophobicContact CB-CD1 3.84Å; L1115-I1119 HydrophobicContact CB-CG1 4.37Å; L1115-I1119 HydrophobicContact CD2-CD1 4.47Å; L1115-I1119 WeakPolarHBondContact O-CB 3.38Å; L1115-I1119 VanDerWaalsContact O-CG1 3.28Å; L1115-I1119 WeakPolarHBondContact O-CG1 3.23Å; L1115-I1119 PolarHBondContact O-N 2.9Å; I1119-V1121 VanDerWaalsContact C-N 3.26Å; I1119-V1121 PolarHBondContact O-N 3.27Å; I1119-L1122 PolarHBondContact O-N 3.48Å; I1119-S1123 VanDerWaalsContact O-CB 3.26Å; I1119-S1123 WeakPolarHBondContact O-CB 3.35Å; I1119-S1123 PolarHBondContact O-N 3.33Å; I1119-S1123 PolarHBondContact O-OG 3.49Å; I1119-V1129 HydrophobicContact CG2-CG2 4.18Å |
| 1120 | P | 63.7 | Low | 60.5 | Low | 54 Ų | 54 | 58.4 Ų | 58.4 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 177.2 | -25.4 | 36 | 0 | 0 | 0 | 112.6 | F1116 S1123 | F1116-P1120 WeakPolarHBondContact O-CD 3.44Å; F1116-P1120 VanDerWaalsContact O-CG 3.29Å; F1116-P1120 WeakPolarHBondContact O-CG 3.48Å; P1120-S1123 WeakPolarHBondContact CA-OG 3.32Å; P1120-S1123 PolarHBondContact O-N 3.15Å; P1120-S1123 PolarHBondContact O-OG 3.03Å |
| 1121 | V | 59 | Low | 61.5 | Low | 94 Ų | 94 | 56.6 Ų | 56.6 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.3 | -46.5 | 178.5 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | I1118 I1119 S1123 Q1124 | I1118-V1121 WeakPolarHBondContact O-CB 3.45Å; I1118-V1121 PolarHBondContact O-N 2.86Å; I1118-V1121 VanDerWaalsContact O-N 3.12Å; I1119-V1121 VanDerWaalsContact C-N 3.26Å; I1119-V1121 PolarHBondContact O-N 3.27Å; V1121-S1123 VanDerWaalsContact C-N 3.31Å; V1121-S1123 PolarHBondContact O-N 2.69Å; V1121-Q1124 PolarHBondContact O-N 3.35Å |
| 1122 | L | 55.7 | Low | 62.2 | Low | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.204 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.9 | -24.7 | 178.8 | -61.9 | -179.3 | 0 | 0 | 0 | 113.2 | T1103 I1118 I1119 Q1124 S1125 V1129 L1131 | T1103-L1122 HydrophobicContact CG2-CD1 3.89Å; T1103-L1122 HydrophobicContact CG2-CD2 3.59Å; T1103-L1122 HydrophobicContact CG2-CG 4.41Å; I1118-L1122 HydrophobicContact CG2-CD1 3.39Å; I1118-L1122 HydrophobicContact CG2-CG 3.81Å; I1118-L1122 PolarHBondContact O-N 3.2Å; I1119-L1122 PolarHBondContact O-N 3.48Å; L1122-Q1124 PolarHBondContact O-N 3.29Å; L1122-S1125 PolarHBondContact O-OG 3.21Å; L1122-S1125 VanDerWaalsContact O-OG 3.09Å; L1122-V1129 HydrophobicContact CB-CB 4.37Å; L1122-V1129 HydrophobicContact CB-CG1 3.55Å; L1122-V1129 HydrophobicContact CB-CG2 3.89Å; L1122-V1129 HydrophobicContact CD1-CG1 3.51Å; L1122-V1129 HydrophobicContact CG-CG1 4.19Å; L1122-L1131 HydrophobicContact CD1-CD2 3.7Å |
| 1123 | S | 56.4 | Low | 63.3 | Low | 31 Ų | 31 | 52.2 Ų | 52.2 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -74.5 | -9.8 | 178.3 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | I1119 P1120 V1121 S1125 G1126 | I1119-S1123 VanDerWaalsContact O-CB 3.26Å; I1119-S1123 WeakPolarHBondContact O-CB 3.35Å; I1119-S1123 PolarHBondContact O-N 3.33Å; I1119-S1123 PolarHBondContact O-OG 3.49Å; P1120-S1123 WeakPolarHBondContact CA-OG 3.32Å; P1120-S1123 PolarHBondContact O-N 3.15Å; P1120-S1123 PolarHBondContact O-OG 3.03Å; V1121-S1123 VanDerWaalsContact C-N 3.31Å; V1121-S1123 PolarHBondContact O-N 2.69Å; S1123-S1125 PolarHBondContact O-N 3.44Å; S1123-S1125 VanDerWaalsContact O-N 3.16Å; S1123-G1126 CarbonylContact C-O 3.46Å; S1123-G1126 WeakPolarHBondContact CA-O 3.4Å; S1123-G1126 CarbonylContact O-C 3.57Å; S1123-G1126 PolarHBondContact O-N 3.1Å |
| 1124 | Q | 50.3 | Low | 63.6 | Low | 164 Ų | 164 | 52.9 Ų | 52.9 | 77% | 0.766 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -61.8 | -22.4 | 175.3 | -67.1 | -175.9 | 0.8 | 0 | 0 | 112.5 | V1121 L1122 | V1121-Q1124 PolarHBondContact O-N 3.35Å; L1122-Q1124 PolarHBondContact O-N 3.29Å |
| 1125 | S | 43.6 | Very low | 63.7 | Low | 107 Ų | 107 | 48 Ų | 48 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -94.1 | 7.8 | 176 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | L1122 S1123 | L1122-S1125 PolarHBondContact O-OG 3.21Å; L1122-S1125 VanDerWaalsContact O-OG 3.09Å; S1123-S1125 PolarHBondContact O-N 3.44Å; S1123-S1125 VanDerWaalsContact O-N 3.16Å |
| 1126 | G | 46.9 | Very low | 63.5 | Low | 22 Ų | 22 | 49.7 Ų | 49.7 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | trans | 137.4 | 169.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1123 V1128 | S1123-G1126 CarbonylContact C-O 3.46Å; S1123-G1126 WeakPolarHBondContact CA-O 3.4Å; S1123-G1126 CarbonylContact O-C 3.57Å; S1123-G1126 PolarHBondContact O-N 3.1Å; G1126-V1128 PolarHBondContact O-N 2.87Å | ||
| 1127 | S | 49.7 | Very low | 62.7 | Low | 44 Ų | 44 | 49.7 Ų | 49.7 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -83.8 | -13.9 | -160.9 | 71.7 | 0 | 0 | 0 | 0 | 118.1 | K236 | K236-S1127 VanDerWaalsContact CD-CB 3.49Å; K236-S1127 WeakPolarHBondContact CD-OG 3.26Å; K236-S1127 WeakPolarHBondContact CE-OG 3.39Å; K236-S1127 WeakPolarHBondContact CG-OG 3.42Å; K236-S1127 PolarHBondContact NZ-OG 2.58Å |
| 1128 | V | 53.8 | Low | 62 | Low | 46 Ų | 46 | 50 Ų | 50 | 28% | 0.279 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -117.3 | 112.6 | 173.2 | 178 | 0 | 0 | 0 | 0 | 106.2 | F178 K1049 L1058 G1126 E1130 | F178-V1128 HydrophobicContact CE1-CG2 4.31Å; K1049-V1128 HydrophobicContact CB-CG1 3.86Å; L1058-V1128 HydrophobicContact CD1-CG1 3.94Å; G1126-V1128 PolarHBondContact O-N 2.87Å; V1128-E1130 PolarHBondContact O-N 3.35Å |
| 1129 | V | 69.5 | Low | 61.2 | Low | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 114.3 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 107.9 | V1048 K1049 I1119 L1122 L1131 | V1048-V1129 CarbonylContact C-O 3.59Å; V1048-V1129 WeakPolarHBondContact CA-O 3.32Å; V1048-V1129 HydrophobicContact CG1-CB 4.38Å; V1048-V1129 HydrophobicContact CG1-CG1 4.22Å; V1048-V1129 WeakPolarHBondContact CG1-O 3.34Å; V1048-V1129 HydrophobicContact CG2-CB 4.35Å; K1049-V1129 PolarHBondContact N-O 3.11Å; I1119-V1129 HydrophobicContact CG2-CG2 4.18Å; L1122-V1129 HydrophobicContact CB-CB 4.37Å; L1122-V1129 HydrophobicContact CB-CG1 3.55Å; L1122-V1129 HydrophobicContact CB-CG2 3.89Å; L1122-V1129 HydrophobicContact CD1-CG1 3.51Å; L1122-V1129 HydrophobicContact CG-CG1 4.19Å; V1129-L1131 HydrophobicContact CG1-CD2 4.2Å; V1129-L1131 HydrophobicContact CG1-CG 4.33Å |
| 1130 | E | 75.8 | Confident | 60 | Low | 50 Ų | 50 | 53.9 Ų | 53.9 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.2 | 174.7 | -80.4 | -169.9 | 176.3 | 0 | 0 | 110.8 | K1049 R1104 V1128 | K1049-E1130 HydrophobicContact CB-CG 3.96Å; K1049-E1130 HydrophobicContact CD-CG 3.88Å; K1049-E1130 WeakPolarHBondContact CD-OE1 3.22Å; K1049-E1130 WeakPolarHBondContact CE-OE1 3.4Å; K1049-E1130 HydrophobicContact CG-CG 4.13Å; K1049-E1130 IonicContact NZ-OE1 3.13Å; K1049-E1130 PolarHBondContact NZ-OE1 3.06Å; K1049-E1130 CarbonylContact O-C 2.79Å; K1049-E1130 WeakPolarHBondContact O-CA 3.47Å; R1104-E1130 HydrophobicContact CG-CB 4.38Å; R1104-E1130 IonicContact CZ-OE2 2.77Å; R1104-E1130 IonicContact NE-OE2 3.57Å; R1104-E1130 PolarHBondContact NE-OE2 3Å; R1104-E1130 IonicContact NH2-OE1 2.9Å; R1104-E1130 IonicContact NH2-OE2 2.98Å; R1104-E1130 PolarHBondContact NH2-OE2 3.48Å; V1128-E1130 PolarHBondContact O-N 3.35Å |
| 1131 | L | 84.7 | Confident | 59 | Low | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.3 | 171.1 | -59.1 | -180 | 0 | 0 | 0 | 109.7 | V1048 K1049 V1050 A1051 L1071 L1101 C1102 T1103 L1109 L1122 V1129 | V1048-L1131 HydrophobicContact CG1-CB 4.44Å; V1048-L1131 HydrophobicContact CG1-CD1 3.52Å; V1048-L1131 HydrophobicContact CG1-CG 3.71Å; K1049-L1131 PolarHBondContact O-N 2.88Å; V1050-L1131 CarbonylContact C-O 3.01Å; V1050-L1131 WeakPolarHBondContact CA-O 3.45Å; V1050-L1131 HydrophobicContact CG2-CB 4.48Å; A1051-L1131 PolarHBondContact N-O 3.28Å; L1071-L1131 HydrophobicContact CD2-CD1 3.69Å; L1101-L1131 HydrophobicContact CB-CD1 4.42Å; L1101-L1131 HydrophobicContact CD1-CD1 4.27Å; C1102-L1131 CarbonylContact O-C 3.6Å; C1102-L1131 WeakPolarHBondContact O-CA 3.36Å; C1102-L1131 VanDerWaalsContact O-CB 3.28Å; C1102-L1131 WeakPolarHBondContact O-CB 3.34Å; C1102-L1131 WeakPolarHBondContact O-CD2 3.17Å; T1103-L1131 HydrophobicContact CG2-CD2 4.16Å; L1109-L1131 HydrophobicContact CD1-CD1 3.49Å; L1109-L1131 VanDerWaalsContact CD1-CD1 3.49Å; L1109-L1131 HydrophobicContact CD1-CD2 3.61Å; L1109-L1131 HydrophobicContact CD1-CG 4.2Å; L1122-L1131 HydrophobicContact CD1-CD2 3.7Å; V1129-L1131 HydrophobicContact CG1-CD2 4.2Å; V1129-L1131 HydrophobicContact CG1-CG 4.33Å |
| 1132 | L | 71.6 | Confident | 57.9 | Low | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 141.1 | 170.8 | -56.6 | 178.5 | 0 | 0 | 0 | 108.8 | A1051 L1101 C1102 R1106 | A1051-L1132 HydrophobicContact CB-CD2 4Å; A1051-L1132 CarbonylContact O-C 3.45Å; A1051-L1132 WeakPolarHBondContact O-CA 3.35Å; L1101-L1132 CarbonylContact C-O 3.57Å; L1101-L1132 VanDerWaalsContact CA-O 3.31Å; L1101-L1132 WeakPolarHBondContact CA-O 3.49Å; C1102-L1132 HydrophobicContact CB-CB 4.46Å; C1102-L1132 PolarHBondContact N-O 2.85Å; C1102-L1132 PolarHBondContact O-N 3.34Å; R1106-L1132 HydrophobicContact CG-CD1 4Å |
| 1133 | A | 81.5 | Confident | 56.8 | Low | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V1050 A1051 F1052 V1099 R1100 L1101 | V1050-A1133 HydrophobicContact CG1-CB 3.32Å; A1051-A1133 PolarHBondContact O-N 3.25Å; F1052-A1133 WeakPolarHBondContact CA-O 3.5Å; F1052-A1133 HydrophobicContact CD1-CB 3.46Å; F1052-A1133 VanDerWaalsContact CD1-CB 3.46Å; F1052-A1133 HydrophobicContact CD2-CB 4Å; F1052-A1133 HydrophobicContact CE1-CB 3.44Å; F1052-A1133 VanDerWaalsContact CE1-CB 3.44Å; F1052-A1133 HydrophobicContact CE2-CB 3.98Å; F1052-A1133 HydrophobicContact CG-CB 3.74Å; F1052-A1133 HydrophobicContact CZ-CB 3.69Å; V1099-A1133 HydrophobicContact CG1-CB 3.9Å; R1100-A1133 VanDerWaalsContact O-CA 3.27Å; R1100-A1133 WeakPolarHBondContact O-CA 3.27Å; L1101-A1133 HydrophobicContact CD2-CB 3.72Å |
| 1134 | E | 72.3 | Confident | 55.4 | Low | 62 Ų | 62 | 71 Ų | 71 | 29% | 0.29 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.4 | 177.9 | -84.2 | 159.1 | -149.5 | 0 | 0 | 111.5 | V1099 R1100 S1194 | V1099-E1134 VanDerWaalsContact CA-O 3.3Å; V1099-E1134 WeakPolarHBondContact CA-O 3.23Å; R1100-E1134 PolarHBondContact N-O 2.88Å; R1100-E1134 PolarHBondContact O-N 3.22Å; E1134-S1194 WeakPolarHBondContact OE1-CB 3.24Å; E1134-S1194 PolarHBondContact OE1-OG 3.35Å; E1134-S1194 VanDerWaalsContact OE2-CB 3.25Å; E1134-S1194 WeakPolarHBondContact OE2-CB 3.49Å |
| 1135 | L | 70.1 | Confident | 54.3 | Low | 28 Ų | 28 | 68.3 Ų | 68.3 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.4 | -177.3 | -79.5 | 158.7 | 0 | 0 | 0 | 109.9 | F1052 Y1076 V1099 D1137 | F1052-L1135 HydrophobicContact CD1-CD1 3.91Å; F1052-L1135 HydrophobicContact CD1-CG 4.01Å; F1052-L1135 HydrophobicContact CE1-CD1 4.44Å; F1052-L1135 HydrophobicContact CE1-CD2 4.4Å; F1052-L1135 HydrophobicContact CE1-CG 4.22Å; Y1076-L1135 HydrophobicContact CD2-CD2 3.48Å; Y1076-L1135 VanDerWaalsContact CD2-CD2 3.48Å; Y1076-L1135 HydrophobicContact CE2-CD1 4.49Å; Y1076-L1135 HydrophobicContact CE2-CD2 3.08Å; Y1076-L1135 HydrophobicContact CE2-CG 4.37Å; V1099-L1135 HydrophobicContact CG2-CD2 3.59Å; V1099-L1135 HydrophobicContact CG2-CG 4.4Å; L1135-D1137 VanDerWaalsContact C-N 3.34Å; L1135-D1137 PolarHBondContact O-N 2.99Å |
| 1136 | N | 64.6 | Low | 53.5 | Low | 36 Ų | 36 | 69.1 Ų | 69.1 | 19% | 0.193 | 39% | 0.392 | C | S | . | . | trans | -79.5 | 87.6 | 174.3 | -156 | -17.4 | 0 | 0 | 0 | 109.1 | L1098 S1138 I1139 | L1098-N1136 PolarHBondContact O-N 3.32Å; L1098-N1136 VanDerWaalsContact O-N 3.11Å; N1136-S1138 PolarHBondContact O-N 3.41Å; N1136-S1138 PolarHBondContact OD1-OG 2.9Å; N1136-I1139 HydrophobicContact CB-CD1 4.22Å; N1136-I1139 PolarHBondContact O-N 3.33Å | ||
| 1137 | D | 49.1 | Very low | 52.6 | Low | 114 Ų | 114 | 75.4 Ų | 75.4 | 61% | 0.61 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.3 | -22.1 | -174.1 | -78.9 | -24.8 | 0 | 0 | 0 | 113.6 | L1135 I1139 V1140 T1141 | L1135-D1137 VanDerWaalsContact C-N 3.34Å; L1135-D1137 PolarHBondContact O-N 2.99Å; D1137-I1139 VanDerWaalsContact C-N 3.26Å; D1137-I1139 PolarHBondContact O-N 3.13Å; D1137-V1140 PolarHBondContact O-N 2.97Å; D1137-T1141 PolarHBondContact O-N 2.85Å; D1137-T1141 PolarHBondContact O-OG1 3.44Å |
| 1138 | S | 46.7 | Very low | 51.4 | Low | 70 Ų | 70 | 81.5 Ų | 81.5 | 49% | 0.49 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.8 | -29.8 | 175.7 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | N1136 T1141 | N1136-S1138 PolarHBondContact O-N 3.41Å; N1136-S1138 PolarHBondContact OD1-OG 2.9Å; S1138-T1141 PolarHBondContact O-OG1 3.2Å |
| 1139 | I | 49 | Very low | 50.1 | Low | 32 Ų | 32 | 84.2 Ų | 84.2 | 16% | 0.164 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -86.7 | -32.4 | -179.8 | -56.5 | 174.4 | 0 | 0 | 0 | 110.9 | T1092 E1096 L1098 N1136 D1137 T1141 | T1092-I1139 HydrophobicContact CG2-CD1 4.44Å; T1092-I1139 HydrophobicContact CG2-CG2 3.83Å; E1096-I1139 HydrophobicContact CB-CD1 4.27Å; L1098-I1139 HydrophobicContact CD2-CB 4.14Å; L1098-I1139 HydrophobicContact CD2-CG2 3.72Å; L1098-I1139 HydrophobicContact CG-CG2 4.3Å; N1136-I1139 HydrophobicContact CB-CD1 4.22Å; N1136-I1139 PolarHBondContact O-N 3.33Å; D1137-I1139 VanDerWaalsContact C-N 3.26Å; D1137-I1139 PolarHBondContact O-N 3.13Å; I1139-T1141 VanDerWaalsContact C-N 3.34Å; I1139-T1141 PolarHBondContact O-N 3.27Å |
| 1140 | V | 46.7 | Very low | 48 | Very low | 74 Ų | 74 | 91.6 Ų | 91.6 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.4 | -29.4 | -175.2 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | D1137 | D1137-V1140 PolarHBondContact O-N 2.97Å |
| 1141 | T | 42.3 | Very low | 45.6 | Very low | 99 Ų | 99 | 97.1 Ų | 97.1 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -80.2 | -12.8 | -175.6 | 44.4 | 0 | 0 | 0 | 0 | 114.8 | D1137 S1138 I1139 K1143 | D1137-T1141 PolarHBondContact O-N 2.85Å; D1137-T1141 PolarHBondContact O-OG1 3.44Å; S1138-T1141 PolarHBondContact O-OG1 3.2Å; I1139-T1141 VanDerWaalsContact C-N 3.34Å; I1139-T1141 PolarHBondContact O-N 3.27Å; T1141-K1143 VanDerWaalsContact C-N 3.32Å; T1141-K1143 PolarHBondContact O-N 2.88Å |
| 1142 | Q | 35.5 | Very low | 42.8 | Very low | 163 Ų | 163 | 104.8 Ų | 104.8 | 76% | 0.762 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -79.8 | 8.2 | -174.8 | -78.5 | -166.9 | -8.5 | 0 | 0 | 116.6 | ||
| 1143 | K | 31.9 | Very low | 40.5 | Very low | 186 Ų | 186 | 110.6 Ų | 110.6 | 81% | 0.809 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -120.9 | 7.9 | 175.8 | -93.2 | -175.1 | 178.7 | 176.7 | 0 | 117.3 | T1141 | T1141-K1143 VanDerWaalsContact C-N 3.32Å; T1141-K1143 PolarHBondContact O-N 2.88Å |
| 1144 | T | 28.5 | Very low | 37.7 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | -103.9 | 62.2 | 167.4 | 54 | 0 | 0 | 0 | 0 | 111 | ||||
| 1145 | S | 27.1 | Very low | 35.3 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | trans | -137.6 | 62.7 | 168.3 | 68.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1146 | T | 26.5 | Very low | 33.1 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | trans | -94.7 | 114.8 | 159.2 | 46.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1147 | N | 26.9 | Very low | 31.3 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | 68.8 | 75.4 | 156.7 | -58.3 | -17.6 | 0 | 0 | 0 | 117.7 | ||||
| 1148 | L | 26.4 | Very low | 30.1 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 73% | 0.733 | S | S | * | * | trans | -122.7 | 106.8 | 142 | -89.8 | 155 | 0 | 0 | 0 | 107.6 | N1150 | L1148-N1150 PolarHBondContact O-N 2.8Š| ||
| 1149 | S | 25.7 | Very low | 29.1 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -48.9 | 126.4 | -178.1 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | Q1151 | S1149-Q1151 PolarHBondContact O-N 2.94Š| ||
| 1150 | N | 24.8 | Very low | 27.8 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -46.4 | 105.9 | 166.1 | -71.7 | -28.7 | 0 | 0 | 0 | 111.5 | L1148 | L1148-N1150 PolarHBondContact O-N 2.8Š| ||
| 1151 | Q | 25.1 | Very low | 27 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -128.2 | 96 | 155 | -75.8 | -166 | -8.6 | 0 | 0 | 109.1 | S1149 I1153 | S1149-Q1151 PolarHBondContact O-N 2.94Å; Q1151-I1153 PolarHBondContact O-N 3.48Å | ||
| 1152 | N | 26.2 | Very low | 26.1 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | 36.5 | 82.3 | 142 | -62.8 | -18.3 | 0 | 0 | 0 | 116.9 | ||||
| 1153 | I | 23.5 | Very low | 25.9 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -107.1 | 89.6 | 155.6 | -58 | 176.3 | 0 | 0 | 0 | 107 | Q1151 | Q1151-I1153 PolarHBondContact O-N 3.48Š| ||
| 1154 | Q | 22 | Very low | 25.6 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -130.2 | 133.2 | 158.1 | -96.3 | -172.4 | -6.7 | 0 | 0 | 108.8 | ||||
| 1155 | S | 23.9 | Very low | 25.7 | Very low | 99 Ų | 99 | 156 Ų | 156 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 95.7 | 124.5 | 165.7 | 80.4 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1156 | H | 23.6 | Very low | 25.7 | Very low | 157 Ų | 157 | 158.2 Ų | 158.2 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | 85.9 | 73.5 | 158.9 | -58.1 | -67.1 | 0 | 0 | 0 | 119.9 | ||||
| 1157 | F | 25.5 | Very low | 26 | Very low | 199 Ų | 199 | 156.8 Ų | 156.8 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | trans | -134.4 | 93.9 | 140.8 | -79.4 | -73.5 | 0 | 0 | 0 | 111.2 | Y1159 | F1157-Y1159 HydrophobicContact CD1-CD2 4.22Å; F1157-Y1159 HydrophobicContact CD1-CE2 4.21Å | ||
| 1158 | N | 24.1 | Very low | 26.5 | Very low | 154 Ų | 154 | 158.9 Ų | 158.9 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -102.3 | 106.3 | 171.5 | -149.9 | 1.6 | 0 | 0 | 0 | 105.8 | ||||
| 1159 | Y | 25.5 | Very low | 27.3 | Very low | 208 Ų | 208 | 156.8 Ų | 156.8 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -129.1 | 110 | 175.8 | -99.1 | -81.5 | 0 | 0 | 0 | 111.7 | F1157 | F1157-Y1159 HydrophobicContact CD1-CD2 4.22Å; F1157-Y1159 HydrophobicContact CD1-CE2 4.21Å | ||
| 1160 | K | 22.5 | Very low | 28.1 | Very low | 188 Ų | 188 | 159.7 Ų | 159.7 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -67.7 | 130.2 | 166.5 | -78.2 | 177.1 | 171.9 | 178.1 | 0 | 110.3 | K1162 | K1160-K1162 PolarHBondContact O-N 3Š| ||
| 1161 | S | 29 | Very low | 29.1 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 10.5 | 93.4 | 144.3 | 62.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1162 | K | 24.1 | Very low | 30.4 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -140.8 | 123.8 | 140.9 | -87.2 | -171.7 | 178 | 176.7 | 0 | 108.3 | K1160 N1164 | K1160-K1162 PolarHBondContact O-N 3Å; K1162-N1164 PolarHBondContact O-N 2.78Å | ||
| 1163 | S | 30.9 | Very low | 32.2 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -37.2 | 112.1 | 170.7 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1164 | N | 26.9 | Very low | 34.1 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -149.4 | 108.2 | 157.6 | -88.9 | -21.6 | 0 | 0 | 0 | 106.7 | K1162 I1166 | K1162-N1164 PolarHBondContact O-N 2.78Å; N1164-I1166 PolarHBondContact O-N 3.26Å | ||
| 1165 | E | 28.8 | Very low | 36 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | trans | 8.7 | 95.7 | 154.6 | -63.6 | 174.8 | 170.1 | 0 | 0 | 114.7 | ||||
| 1166 | I | 27.5 | Very low | 38.3 | Very low | 152 Ų | 152 | 136 Ų | 136 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | trans | -62 | 133.2 | 165.1 | -63 | 169.8 | 0 | 0 | 0 | 106.5 | N1164 Q1168 | N1164-I1166 PolarHBondContact O-N 3.26Å; I1166-Q1168 PolarHBondContact O-N 2.89Å | ||
| 1167 | P | 34.1 | Very low | 40.8 | Very low | 95 Ų | 95 | 131 Ų | 131 | 62% | 0.617 | 67% | 0.674 | S | S | * | * | trans | -58 | 137.6 | -170 | -15.9 | 27.7 | 0 | 0 | 0 | 109.5 | N1169 | P1167-N1169 PolarHBondContact O-N 2.85Š| ||
| 1168 | Q | 36.5 | Very low | 43.1 | Very low | 197 Ų | 197 | 122.3 Ų | 122.3 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -59.3 | 79.2 | 169.1 | -71.7 | 178.2 | -17.7 | 0 | 0 | 109.2 | I1166 I1170 | I1166-Q1168 PolarHBondContact O-N 2.89Å; Q1168-I1170 PolarHBondContact O-N 3.5Å | ||
| 1169 | N | 42.9 | Very low | 45.7 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 68% | 0.684 | 60% | 0.599 | S | S | * | * | trans | -67.8 | 98.4 | 173.7 | -94.3 | -14.1 | 0 | 0 | 0 | 107.3 | P1167 V1171 | P1167-N1169 PolarHBondContact O-N 2.85Å; N1169-V1171 VanDerWaalsContact C-N 3.3Å; N1169-V1171 PolarHBondContact O-N 3.46Å | ||
| 1170 | I | 42.5 | Very low | 48.2 | Very low | 165 Ų | 165 | 108.4 Ų | 108.4 | 85% | 0.846 | 58% | 0.576 | S | S | * | * | trans | 15.4 | 68.8 | 154.3 | -44.6 | 175.7 | 0 | 0 | 0 | 113 | Q1168 S1172 | Q1168-I1170 PolarHBondContact O-N 3.5Å; I1170-S1172 PolarHBondContact O-N 2.93Å | ||
| 1171 | V | 46.1 | Very low | 50.9 | Low | 37 Ų | 37 | 106 Ų | 106 | 22% | 0.224 | 57% | 0.566 | C | S | . | * | trans | -74.1 | 120.2 | 165.4 | 176.4 | 0 | 0 | 0 | 0 | 104.8 | N1169 L1175 H1176 | N1169-V1171 VanDerWaalsContact C-N 3.3Å; N1169-V1171 PolarHBondContact O-N 3.46Å; V1171-L1175 HydrophobicContact CG1-CB 3.33Å; V1171-L1175 HydrophobicContact CG1-CD2 3.92Å; V1171-L1175 HydrophobicContact CG1-CG 4.27Å; V1171-H1176 PolarHBondContact O-CD2 3.16Å | ||
| 1172 | S | 52.4 | Low | 53.4 | Low | 46 Ų | 46 | 100.6 Ų | 100.6 | 32% | 0.322 | 53% | 0.528 | S | S | . | . | trans | -57.1 | 148.8 | -176.2 | 73.6 | 0 | 0 | 0 | 0 | 110.4 | I1170 F1174 L1175 H1176 | I1170-S1172 PolarHBondContact O-N 2.93Å; S1172-F1174 PolarHBondContact O-N 2.98Å; S1172-L1175 PolarHBondContact O-N 3.44Å; S1172-L1175 WeakPolarHBondContact OG-CD1 3.37Å; S1172-L1175 PolarHBondContact OG-N 2.92Å; S1172-H1176 PolarHBondContact O-N 3.48Å | ||
| 1173 | P | 64.2 | Low | 56 | Low | 117 Ų | 117 | 95.7 Ų | 95.7 | 76% | 0.76 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -52.9 | -31 | 176.6 | -26.6 | 33.8 | 0 | 0 | 0 | 112.7 | S1177 | P1173-S1177 PolarHBondContact O-N 3.12Å |
| 1174 | F | 62.7 | Low | 58.4 | Low | 115 Ų | 115 | 97 Ų | 97 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 172.7 | 174.5 | -100.6 | 0 | 0 | 0 | 112.5 | S1172 H1176 S1177 V1178 L1193 | S1172-F1174 PolarHBondContact O-N 2.98Å; F1174-H1176 VanDerWaalsContact C-N 3.31Å; F1174-H1176 PolarHBondContact O-N 3.34Å; F1174-S1177 WeakPolarHBondContact O-CA 3.44Å; F1174-S1177 VanDerWaalsContact O-CB 3.28Å; F1174-S1177 WeakPolarHBondContact O-CB 3.38Å; F1174-S1177 PolarHBondContact O-N 3.44Å; F1174-S1177 VanDerWaalsContact O-N 3.1Å; F1174-V1178 HydrophobicContact CD1-CG2 4.4Å; F1174-V1178 HydrophobicContact CE1-CG2 3.88Å; F1174-V1178 HydrophobicContact CE2-CG2 4.12Å; F1174-V1178 HydrophobicContact CZ-CG2 3.71Å; F1174-V1178 WeakPolarHBondContact O-CG2 3.35Å; F1174-V1178 PolarHBondContact O-N 3.34Å; F1174-L1193 HydrophobicContact CE1-CD1 3.97Å; F1174-L1193 HydrophobicContact CE1-CD2 4.05Å; F1174-L1193 HydrophobicContact CZ-CD1 4.07Å; F1174-L1193 HydrophobicContact CZ-CD2 3.65Å |
| 1175 | L | 62.1 | Low | 61.1 | Low | 47 Ų | 47 | 93.1 Ų | 93.1 | 25% | 0.246 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 176.6 | -98.9 | 89.6 | 0 | 0 | 0 | 111.8 | V1171 S1172 S1177 V1178 I1179 L1203 | V1171-L1175 HydrophobicContact CG1-CB 3.33Å; V1171-L1175 HydrophobicContact CG1-CD2 3.92Å; V1171-L1175 HydrophobicContact CG1-CG 4.27Å; S1172-L1175 PolarHBondContact O-N 3.44Å; S1172-L1175 WeakPolarHBondContact OG-CD1 3.37Å; S1172-L1175 PolarHBondContact OG-N 2.92Å; L1175-S1177 VanDerWaalsContact C-N 3.3Å; L1175-S1177 PolarHBondContact O-N 3.49Å; L1175-V1178 PolarHBondContact O-N 3.33Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.34Å; L1175-I1179 PolarHBondContact O-N 3.03Å; L1175-L1203 HydrophobicContact CD2-CD1 4.41Å; L1175-L1203 HydrophobicContact CD2-CD2 3.22Å; L1175-L1203 HydrophobicContact CD2-CG 3.94Å; L1175-L1203 HydrophobicContact CG-CD2 3.75Å |
| 1176 | H | 72.6 | Confident | 63.9 | Low | 86 Ų | 86 | 84.5 Ų | 84.5 | 40% | 0.398 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 173.8 | -90.5 | -64.8 | 0 | 0 | 0 | 111.3 | V1171 S1172 F1174 V1178 I1179 D1180 | V1171-H1176 PolarHBondContact O-CD2 3.16Å; S1172-H1176 PolarHBondContact O-N 3.48Å; F1174-H1176 VanDerWaalsContact C-N 3.31Å; F1174-H1176 PolarHBondContact O-N 3.34Å; H1176-V1178 VanDerWaalsContact C-N 3.32Å; H1176-V1178 PolarHBondContact O-N 3.03Å; H1176-I1179 PolarHBondContact O-N 3.19Å; H1176-D1180 VanDerWaalsContact O-CB 3.32Å; H1176-D1180 WeakPolarHBondContact O-CB 3.4Å; H1176-D1180 VanDerWaalsContact O-CG 3.25Å; H1176-D1180 PolarHBondContact O-N 3.47Å |
| 1177 | S | 76.7 | Confident | 66.7 | Low | 53 Ų | 53 | 79.1 Ų | 79.1 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 174.6 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | P1173 F1174 L1175 K1181 | P1173-S1177 PolarHBondContact O-N 3.12Å; F1174-S1177 WeakPolarHBondContact O-CA 3.44Å; F1174-S1177 VanDerWaalsContact O-CB 3.28Å; F1174-S1177 WeakPolarHBondContact O-CB 3.38Å; F1174-S1177 PolarHBondContact O-N 3.44Å; F1174-S1177 VanDerWaalsContact O-N 3.1Å; L1175-S1177 VanDerWaalsContact C-N 3.3Å; L1175-S1177 PolarHBondContact O-N 3.49Å; S1177-K1181 WeakPolarHBondContact O-CB 3.36Å; S1177-K1181 VanDerWaalsContact O-CG 3.25Å; S1177-K1181 WeakPolarHBondContact O-CG 3.35Å; S1177-K1181 PolarHBondContact O-N 3.08Å |
| 1178 | V | 73.8 | Confident | 69.2 | Low | 16 Ų | 16 | 74.7 Ų | 74.7 | 10% | 0.097 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 177.6 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | F1174 L1175 H1176 D1180 K1181 A1182 L1188 L1190 | F1174-V1178 HydrophobicContact CD1-CG2 4.4Å; F1174-V1178 HydrophobicContact CE1-CG2 3.88Å; F1174-V1178 HydrophobicContact CE2-CG2 4.12Å; F1174-V1178 HydrophobicContact CZ-CG2 3.71Å; F1174-V1178 WeakPolarHBondContact O-CG2 3.35Å; F1174-V1178 PolarHBondContact O-N 3.34Å; L1175-V1178 PolarHBondContact O-N 3.33Å; H1176-V1178 VanDerWaalsContact C-N 3.32Å; H1176-V1178 PolarHBondContact O-N 3.03Å; V1178-D1180 VanDerWaalsContact C-N 3.34Å; V1178-D1180 PolarHBondContact O-N 2.86Å; V1178-K1181 PolarHBondContact O-N 3.34Å; V1178-A1182 WeakPolarHBondContact O-CB 3.47Å; V1178-A1182 PolarHBondContact O-N 3.09Å; V1178-L1188 HydrophobicContact CG1-CD1 4.05Å; V1178-L1190 HydrophobicContact CG1-CD2 3.88Å |
| 1179 | I | 77 | Confident | 71.5 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.5 | -68 | 169.9 | 0 | 0 | 0 | 110.4 | L1175 H1176 A1182 R1183 L1207 | L1175-I1179 WeakPolarHBondContact O-CG1 3.34Å; L1175-I1179 PolarHBondContact O-N 3.03Å; H1176-I1179 PolarHBondContact O-N 3.19Å; I1179-A1182 PolarHBondContact O-N 2.88Å; I1179-R1183 VanDerWaalsContact O-CG 3.31Å; I1179-R1183 WeakPolarHBondContact O-CG 3.48Å; I1179-R1183 PolarHBondContact O-N 3.07Å; I1179-L1207 HydrophobicContact CB-CD2 4.29Å; I1179-L1207 HydrophobicContact CG1-CD2 4Å; I1179-L1207 HydrophobicContact CG2-CD2 3.89Å |
| 1180 | D | 79.5 | Confident | 73.3 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 35% | 0.348 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 179.2 | -71.6 | -26 | 0 | 0 | 0 | 112.2 | H1176 V1178 R1183 N1184 | H1176-D1180 VanDerWaalsContact O-CB 3.32Å; H1176-D1180 WeakPolarHBondContact O-CB 3.4Å; H1176-D1180 VanDerWaalsContact O-CG 3.25Å; H1176-D1180 PolarHBondContact O-N 3.47Å; V1178-D1180 VanDerWaalsContact C-N 3.34Å; V1178-D1180 PolarHBondContact O-N 2.86Å; D1180-R1183 WeakPolarHBondContact O-CB 3.43Å; D1180-R1183 PolarHBondContact O-N 2.99Å; D1180-R1183 IonicContact OD1-CZ 2.82Å; D1180-R1183 IonicContact OD1-NH1 3.65Å; D1180-R1183 PolarHBondContact OD1-NH1 2.98Å; D1180-N1184 VanDerWaalsContact O-CG 3.23Å; D1180-N1184 PolarHBondContact O-N 3.44Å; D1180-N1184 VanDerWaalsContact O-N 3.09Å; D1180-N1184 PolarHBondContact O-ND2 3.37Å; D1180-N1184 VanDerWaalsContact O-ND2 3.12Å |
| 1181 | K | 78.9 | Confident | 74.6 | Confident | 136 Ų | 136 | 55.9 Ų | 55.9 | 59% | 0.591 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.8 | -47.5 | 170.1 | -78.6 | 177.9 | -176.8 | -178.1 | 0 | 110.9 | S1177 V1178 R1183 N1184 S1185 | S1177-K1181 WeakPolarHBondContact O-CB 3.36Å; S1177-K1181 VanDerWaalsContact O-CG 3.25Å; S1177-K1181 WeakPolarHBondContact O-CG 3.35Å; S1177-K1181 PolarHBondContact O-N 3.08Å; V1178-K1181 PolarHBondContact O-N 3.34Å; K1181-R1183 VanDerWaalsContact C-N 3.28Å; K1181-R1183 PolarHBondContact O-N 2.99Å; K1181-N1184 PolarHBondContact O-N 3.46Å; K1181-S1185 WeakPolarHBondContact O-CB 3.21Å; K1181-S1185 PolarHBondContact O-N 3.43Å; K1181-S1185 PolarHBondContact O-OG 3.05Å |
| 1182 | A | 82 | Confident | 75.2 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1178 I1179 N1184 G1186 V1187 L1188 I1216 | V1178-A1182 WeakPolarHBondContact O-CB 3.47Å; V1178-A1182 PolarHBondContact O-N 3.09Å; I1179-A1182 PolarHBondContact O-N 2.88Å; A1182-N1184 VanDerWaalsContact C-N 3.33Å; A1182-N1184 PolarHBondContact O-N 2.74Å; A1182-G1186 VanDerWaalsContact O-CA 3.28Å; A1182-G1186 WeakPolarHBondContact O-CA 3.32Å; A1182-G1186 PolarHBondContact O-N 3.08Å; A1182-V1187 WeakPolarHBondContact CA-O 2.95Å; A1182-L1188 HydrophobicContact CB-CB 4.46Å; A1182-L1188 HydrophobicContact CB-CD1 4.11Å; A1182-I1216 HydrophobicContact CB-CD1 4.01Å |
| 1183 | R | 78.7 | Confident | 75.6 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 172 | -76.8 | 169.1 | 176.4 | 175.6 | -8.3 | 112.4 | I1179 D1180 K1181 D1210 I1213 | I1179-R1183 VanDerWaalsContact O-CG 3.31Å; I1179-R1183 WeakPolarHBondContact O-CG 3.48Å; I1179-R1183 PolarHBondContact O-N 3.07Å; D1180-R1183 WeakPolarHBondContact O-CB 3.43Å; D1180-R1183 PolarHBondContact O-N 2.99Å; D1180-R1183 IonicContact OD1-CZ 2.82Å; D1180-R1183 IonicContact OD1-NH1 3.65Å; D1180-R1183 PolarHBondContact OD1-NH1 2.98Å; K1181-R1183 VanDerWaalsContact C-N 3.28Å; K1181-R1183 PolarHBondContact O-N 2.99Å; R1183-D1210 IonicContact CZ-OD2 3.25Å; R1183-D1210 IonicContact NE-OD2 3.82Å; R1183-D1210 PolarHBondContact NE-OD2 3.07Å; R1183-D1210 IonicContact NH2-OD2 2.69Å; R1183-D1210 PolarHBondContact NH2-OD2 3.07Å; R1183-I1213 HydrophobicContact CG-CG1 3.58Å |
| 1184 | N | 79.5 | Confident | 75.2 | Confident | 144 Ų | 144 | 50.6 Ų | 50.6 | 77% | 0.77 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -83.1 | -37 | -175.2 | -68.6 | -27.2 | 0 | 0 | 0 | 113.3 | D1180 K1181 A1182 | D1180-N1184 VanDerWaalsContact O-CG 3.23Å; D1180-N1184 PolarHBondContact O-N 3.44Å; D1180-N1184 VanDerWaalsContact O-N 3.09Å; D1180-N1184 PolarHBondContact O-ND2 3.37Å; D1180-N1184 VanDerWaalsContact O-ND2 3.12Å; K1181-N1184 PolarHBondContact O-N 3.46Å; A1182-N1184 VanDerWaalsContact C-N 3.33Å; A1182-N1184 PolarHBondContact O-N 2.74Å |
| 1185 | S | 85.3 | Confident | 75 | Confident | 67 Ų | 67 | 45.9 Ų | 45.9 | 47% | 0.469 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -98.6 | -22 | -174.3 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | K1181 V1187 | K1181-S1185 WeakPolarHBondContact O-CB 3.21Å; K1181-S1185 PolarHBondContact O-N 3.43Å; K1181-S1185 PolarHBondContact O-OG 3.05Å; S1185-V1187 PolarHBondContact O-N 3.2Å; S1185-V1187 WeakPolarHBondContact OG-CB 3.43Å; S1185-V1187 PolarHBondContact OG-N 3.38Å; S1185-V1187 PolarHBondContact OG-O 3.3Å |
| 1186 | G | 85.8 | Confident | 74.9 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 68.2 | 10.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1182 T1217 E1218 | A1182-G1186 VanDerWaalsContact O-CA 3.28Å; A1182-G1186 WeakPolarHBondContact O-CA 3.32Å; A1182-G1186 PolarHBondContact O-N 3.08Å; G1186-T1217 PolarHBondContact O-N 3.18Å; G1186-T1217 PolarHBondContact O-OG1 3.23Å; G1186-E1218 PolarHBondContact O-N 3.31Å; G1186-E1218 VanDerWaalsContact O-N 3.16Å |
| 1187 | V | 87.4 | Confident | 74.5 | Confident | 40 Ų | 40 | 45 Ų | 45 | 24% | 0.242 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.1 | 179.2 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | A1182 S1185 E1218 | A1182-V1187 WeakPolarHBondContact CA-O 2.95Å; S1185-V1187 PolarHBondContact O-N 3.2Å; S1185-V1187 WeakPolarHBondContact OG-CB 3.43Å; S1185-V1187 PolarHBondContact OG-N 3.38Å; S1185-V1187 PolarHBondContact OG-O 3.3Å; V1187-E1218 HydrophobicContact CB-CB 4.34Å; V1187-E1218 HydrophobicContact CG1-CB 4.06Å; V1187-E1218 HydrophobicContact CG1-CG 3.93Å; V1187-E1218 HydrophobicContact CG2-CB 4.07Å |
| 1188 | L | 87.2 | Confident | 74 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 99.3 | 172.3 | 179.3 | 60.9 | 0 | 0 | 0 | 109.6 | V1178 A1182 L1190 L1204 L1207 I1216 E1218 V1219 Q1220 | V1178-L1188 HydrophobicContact CG1-CD1 4.05Å; A1182-L1188 HydrophobicContact CB-CB 4.46Å; A1182-L1188 HydrophobicContact CB-CD1 4.11Å; L1188-L1190 HydrophobicContact CD1-CD1 4.26Å; L1188-L1190 HydrophobicContact CD1-CD2 4.15Å; L1188-L1190 HydrophobicContact CD1-CG 3.93Å; L1188-L1190 HydrophobicContact CD2-CD1 4.02Å; L1188-L1190 HydrophobicContact CD2-CG 4.41Å; L1188-L1190 HydrophobicContact CG-CD1 4.11Å; L1188-L1190 HydrophobicContact CG-CG 3.95Å; L1188-L1204 HydrophobicContact CD2-CD2 3.24Å; L1188-L1204 HydrophobicContact CD2-CG 4.41Å; L1188-L1207 HydrophobicContact CD1-CD1 3.5Å; L1188-L1207 HydrophobicContact CD2-CD1 3.45Å; L1188-L1207 VanDerWaalsContact CD2-CD1 3.45Å; L1188-L1207 HydrophobicContact CG-CD1 4.05Å; L1188-I1216 HydrophobicContact CB-CG2 4.2Å; L1188-E1218 PolarHBondContact N-O 3.3Å; L1188-V1219 HydrophobicContact CB-CG2 4.28Å; L1188-V1219 HydrophobicContact CD2-CG2 4.39Å; L1188-V1219 WeakPolarHBondContact O-CA 3.41Å; L1188-Q1220 PolarHBondContact O-N 2.93Å |
| 1189 | D | 83.4 | Confident | 73.8 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 103.2 | 175.1 | -173.2 | 4.3 | 0 | 0 | 0 | 110.7 | S1191 Q1220 | D1189-S1191 VanDerWaalsContact OD1-CB 3.23Å; D1189-S1191 WeakPolarHBondContact OD1-CB 3.47Å; D1189-S1191 PolarHBondContact OD1-N 2.89Å; D1189-S1191 PolarHBondContact OD1-OG 3.15Å; D1189-Q1220 PolarHBondContact OD1-OE1 3.43Å |
| 1190 | L | 80.6 | Confident | 73.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | trans | -114 | 20.2 | 171.5 | -63.5 | 179.4 | 0 | 0 | 0 | 111 | V1178 L1188 L1193 L1195 L1203 Q1220 L1221 N1224 | V1178-L1190 HydrophobicContact CG1-CD2 3.88Å; L1188-L1190 HydrophobicContact CD1-CD1 4.26Å; L1188-L1190 HydrophobicContact CD1-CD2 4.15Å; L1188-L1190 HydrophobicContact CD1-CG 3.93Å; L1188-L1190 HydrophobicContact CD2-CD1 4.02Å; L1188-L1190 HydrophobicContact CD2-CG 4.41Å; L1188-L1190 HydrophobicContact CG-CD1 4.11Å; L1188-L1190 HydrophobicContact CG-CG 3.95Å; L1190-L1193 HydrophobicContact CB-CD1 4.26Å; L1190-L1193 HydrophobicContact CD2-CD1 3.83Å; L1190-L1195 HydrophobicContact CB-CD1 4.02Å; L1190-L1195 HydrophobicContact CD1-CD1 4.32Å; L1190-L1195 HydrophobicContact CD2-CD1 4.01Å; L1190-L1195 HydrophobicContact CG-CD1 4.33Å; L1190-L1203 HydrophobicContact CD1-CB 4.48Å; L1190-L1203 HydrophobicContact CD1-CD1 4.48Å; L1190-L1203 HydrophobicContact CD2-CD1 4.1Å; L1190-Q1220 CarbonylContact C-O 3.58Å; L1190-Q1220 VanDerWaalsContact C-O 3.28Å; L1190-Q1220 WeakPolarHBondContact CA-O 3.46Å; L1190-Q1220 PolarHBondContact N-O 3.25Å; L1190-L1221 HydrophobicContact CB-CD2 3.87Å; L1190-L1221 HydrophobicContact CD1-CD2 4.02Å; L1190-N1224 PolarHBondContact O-ND2 3.38Å; L1190-N1224 PolarHBondContact O-OD1 3.29Å | ||
| 1191 | S | 70 | Confident | 73.1 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 141.5 | -176.1 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | D1189 L1193 Q1220 Q1222 | D1189-S1191 VanDerWaalsContact OD1-CB 3.23Å; D1189-S1191 WeakPolarHBondContact OD1-CB 3.47Å; D1189-S1191 PolarHBondContact OD1-N 2.89Å; D1189-S1191 PolarHBondContact OD1-OG 3.15Å; S1191-L1193 WeakPolarHBondContact O-CG 3.43Å; S1191-L1193 PolarHBondContact O-N 2.95Å; S1191-L1193 VanDerWaalsContact O-N 3.1Å; S1191-Q1220 PolarHBondContact N-O 3.03Å; S1191-Q1222 CarbonylContact C-O 3.53Å; S1191-Q1222 WeakPolarHBondContact CA-O 3.33Å; S1191-Q1222 PolarHBondContact OG-NE2 3.27Å |
| 1192 | N | 59.6 | Low | 72.7 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 42.9 | 172.7 | -56.4 | -23.1 | 0 | 0 | 0 | 110.6 | D1105 R1106 Q1222 G1223 | D1105-N1192 WeakPolarHBondContact O-CB 3.46Å; D1105-N1192 PolarHBondContact O-ND2 3.16Å; D1105-N1192 VanDerWaalsContact O-ND2 3.11Å; D1105-N1192 PolarHBondContact O-OD1 3.35Å; D1105-N1192 VanDerWaalsContact O-OD1 3.08Å; R1106-N1192 HydrophobicContact CB-CB 3.78Å; R1106-N1192 WeakPolarHBondContact CD-O 3.44Å; R1106-N1192 HydrophobicContact CG-CB 3.91Å; R1106-N1192 PolarHBondContact NE-O 3.38Å; R1106-N1192 PolarHBondContact NH1-O 2.76Å; R1106-N1192 PolarHBondContact NH2-O 2.81Å; N1192-Q1222 PolarHBondContact N-O 3.36Å; N1192-Q1222 PolarHBondContact OD1-O 2.9Å; N1192-Q1222 VanDerWaalsContact OD1-O 3.11Å; N1192-G1223 VanDerWaalsContact OD1-CA 3.31Å; N1192-G1223 WeakPolarHBondContact OD1-CA 3.33Å |
| 1193 | L | 60.1 | Low | 72.4 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -104.3 | -5.4 | 177.3 | -67.2 | -171.7 | 0 | 0 | 0 | 112.2 | R1106 F1174 L1190 S1191 L1195 N1224 | R1106-L1193 PolarHBondContact NH1-O 3.25Å; F1174-L1193 HydrophobicContact CE1-CD1 3.97Å; F1174-L1193 HydrophobicContact CE1-CD2 4.05Å; F1174-L1193 HydrophobicContact CZ-CD1 4.07Å; F1174-L1193 HydrophobicContact CZ-CD2 3.65Å; L1190-L1193 HydrophobicContact CB-CD1 4.26Å; L1190-L1193 HydrophobicContact CD2-CD1 3.83Å; S1191-L1193 WeakPolarHBondContact O-CG 3.43Å; S1191-L1193 PolarHBondContact O-N 2.95Å; S1191-L1193 VanDerWaalsContact O-N 3.1Å; L1193-L1195 HydrophobicContact CB-CD1 3.78Å; L1193-L1195 HydrophobicContact CB-CD2 4.38Å; L1193-L1195 HydrophobicContact CB-CG 3.65Å; L1193-L1195 HydrophobicContact CD1-CD1 3.95Å; L1193-L1195 HydrophobicContact CG-CD1 4.49Å; L1193-L1195 PolarHBondContact O-N 3.4Å; L1193-N1224 PolarHBondContact N-OD1 2.96Å; L1193-N1224 VanDerWaalsContact N-OD1 3.07Å |
| 1194 | S | 56.2 | Low | 72.3 | Confident | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | 57.5 | 33.7 | -176.2 | -40.4 | 0 | 0 | 0 | 0 | 113.7 | R1106 E1134 E1196 N1224 | R1106-S1194 VanDerWaalsContact CD-OG 3.22Å; R1106-S1194 WeakPolarHBondContact CD-OG 3.36Å; R1106-S1194 PolarHBondContact NH1-OG 2.9Å; E1134-S1194 WeakPolarHBondContact OE1-CB 3.24Å; E1134-S1194 PolarHBondContact OE1-OG 3.35Å; E1134-S1194 VanDerWaalsContact OE2-CB 3.25Å; E1134-S1194 WeakPolarHBondContact OE2-CB 3.49Å; S1194-E1196 PolarHBondContact O-N 2.9Å; S1194-N1224 PolarHBondContact N-OD1 2.97Å | ||
| 1195 | L | 58.8 | Low | 72.1 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 9% | 0.089 | 20% | 0.199 | C | C | . | . | trans | -75.5 | 126.7 | -177.7 | -64.4 | 168.3 | 0 | 0 | 0 | 109 | L1190 L1193 E1199 C1200 L1203 N1224 L1226 | L1190-L1195 HydrophobicContact CB-CD1 4.02Å; L1190-L1195 HydrophobicContact CD1-CD1 4.32Å; L1190-L1195 HydrophobicContact CD2-CD1 4.01Å; L1190-L1195 HydrophobicContact CG-CD1 4.33Å; L1193-L1195 HydrophobicContact CB-CD1 3.78Å; L1193-L1195 HydrophobicContact CB-CD2 4.38Å; L1193-L1195 HydrophobicContact CB-CG 3.65Å; L1193-L1195 HydrophobicContact CD1-CD1 3.95Å; L1193-L1195 HydrophobicContact CG-CD1 4.49Å; L1193-L1195 PolarHBondContact O-N 3.4Å; L1195-E1199 HydrophobicContact CB-CB 4.32Å; L1195-E1199 HydrophobicContact CD2-CB 4.04Å; L1195-E1199 WeakPolarHBondContact CD2-OE2 3.4Å; L1195-C1200 WeakPolarHBondContact CB-SG 3.27Å; L1195-L1203 HydrophobicContact CD1-CD1 3.74Å; L1195-L1203 HydrophobicContact CD2-CD1 4.08Å; L1195-N1224 PolarHBondContact N-OD1 3.29Å; L1195-L1226 WeakPolarHBondContact O-CD2 3.34Å | ||
| 1196 | E | 60.7 | Low | 71.6 | Confident | 81 Ų | 81 | 38.1 Ų | 38.1 | 38% | 0.379 | 19% | 0.191 | S | C | . | . | trans | -63.1 | 157.4 | 166.6 | -64.6 | -172.8 | 170.1 | 0 | 0 | 110.3 | S1194 K1198 E1199 C1200 | S1194-E1196 PolarHBondContact O-N 2.9Å; E1196-K1198 PolarHBondContact O-N 3.03Å; E1196-E1199 PolarHBondContact O-N 3.3Å; E1196-C1200 PolarHBondContact O-N 3.36Å | ||
| 1197 | D | 63.5 | Low | 71.2 | Confident | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.171 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -48.9 | -41.7 | 177.6 | -77.5 | -42.5 | 0 | 0 | 0 | 111.8 | E1199 C1200 C1201 L1226 | D1197-E1199 PolarHBondContact O-N 3.49Å; D1197-C1200 PolarHBondContact O-N 2.62Å; D1197-C1201 WeakPolarHBondContact O-CB 3.5Å; D1197-C1201 PolarHBondContact O-N 3.14Å; D1197-C1201 PolarHBondContact O-SG 3.48Å; D1197-L1226 WeakPolarHBondContact OD1-CD2 3.34Å |
| 1198 | K | 65.8 | Low | 70.5 | Confident | 107 Ų | 107 | 38.6 Ų | 38.6 | 47% | 0.465 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 178.5 | -70 | 176.6 | -177 | 166.8 | 0 | 113.2 | E1196 C1201 K1202 | E1196-K1198 PolarHBondContact O-N 3.03Å; K1198-C1201 PolarHBondContact O-N 2.85Å; K1198-K1202 WeakPolarHBondContact O-CG 3.24Å; K1198-K1202 PolarHBondContact O-N 2.57Å |
| 1199 | E | 69.5 | Low | 69.7 | Low | 95 Ų | 95 | 46.4 Ų | 46.4 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.6 | -44.2 | 179.9 | -64 | -158.2 | 131 | 0 | 0 | 111.1 | L1195 E1196 D1197 C1201 K1202 L1203 | L1195-E1199 HydrophobicContact CB-CB 4.32Å; L1195-E1199 HydrophobicContact CD2-CB 4.04Å; L1195-E1199 WeakPolarHBondContact CD2-OE2 3.4Å; E1196-E1199 PolarHBondContact O-N 3.3Å; D1197-E1199 PolarHBondContact O-N 3.49Å; E1199-C1201 VanDerWaalsContact C-N 3.26Å; E1199-C1201 PolarHBondContact O-N 3.04Å; E1199-K1202 PolarHBondContact O-N 2.92Å; E1199-L1203 WeakPolarHBondContact O-CB 3.33Å; E1199-L1203 PolarHBondContact O-N 2.93Å |
| 1200 | C | 69.5 | Low | 69 | Low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.5 | -46.6 | 169.3 | -78.3 | 0 | 0 | 0 | 0 | 111 | L1195 E1196 D1197 K1202 L1203 L1204 L1244 | L1195-C1200 WeakPolarHBondContact CB-SG 3.27Å; E1196-C1200 PolarHBondContact O-N 3.36Å; D1197-C1200 PolarHBondContact O-N 2.62Å; C1200-K1202 PolarHBondContact O-N 3.47Å; C1200-L1203 PolarHBondContact O-N 2.81Å; C1200-L1204 WeakPolarHBondContact O-CB 3.36Å; C1200-L1204 WeakPolarHBondContact O-CD1 3.33Å; C1200-L1204 WeakPolarHBondContact O-CG 3.48Å; C1200-L1204 PolarHBondContact O-N 3.27Å; C1200-L1244 HydrophobicContact CB-CD1 4.23Å |
| 1201 | C | 72.4 | Confident | 67.9 | Low | 15 Ų | 15 | 51.2 Ų | 51.2 | 10% | 0.101 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 178.5 | -69.4 | 0 | 0 | 0 | 0 | 113.1 | D1197 K1198 E1199 L1203 G1205 I1242 L1244 | D1197-C1201 WeakPolarHBondContact O-CB 3.5Å; D1197-C1201 PolarHBondContact O-N 3.14Å; D1197-C1201 PolarHBondContact O-SG 3.48Å; K1198-C1201 PolarHBondContact O-N 2.85Å; E1199-C1201 VanDerWaalsContact C-N 3.26Å; E1199-C1201 PolarHBondContact O-N 3.04Å; C1201-L1203 VanDerWaalsContact C-N 3.35Å; C1201-G1205 WeakPolarHBondContact O-CA 2.89Å; C1201-G1205 PolarHBondContact O-N 3.46Å; C1201-I1242 VanDerWaalsContact CB-O 3.24Å; C1201-I1242 WeakPolarHBondContact CB-O 3.43Å; C1201-I1242 PolarHBondContact SG-O 3.38Å; C1201-L1244 WeakPolarHBondContact SG-CA 2.97Å; C1201-L1244 PolarHBondContact SG-N 2.96Å |
| 1202 | K | 71.4 | Confident | 67.5 | Low | 141 Ų | 141 | 52.9 Ų | 52.9 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 177.4 | -76.8 | 173.4 | -177.6 | 174.9 | 0 | 111.1 | K1198 E1199 C1200 Q1206 | K1198-K1202 WeakPolarHBondContact O-CG 3.24Å; K1198-K1202 PolarHBondContact O-N 2.57Å; E1199-K1202 PolarHBondContact O-N 2.92Å; C1200-K1202 PolarHBondContact O-N 3.47Å; K1202-Q1206 WeakPolarHBondContact O-CB 3.42Å; K1202-Q1206 PolarHBondContact O-N 3.15Å |
| 1203 | L | 75.1 | Confident | 67.4 | Low | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -54.2 | 178.6 | -89.1 | 166 | 0 | 0 | 0 | 112.2 | L1175 L1190 L1195 E1199 C1200 C1201 G1205 Q1206 L1207 | L1175-L1203 HydrophobicContact CD2-CD1 4.41Å; L1175-L1203 HydrophobicContact CD2-CD2 3.22Å; L1175-L1203 HydrophobicContact CD2-CG 3.94Å; L1175-L1203 HydrophobicContact CG-CD2 3.75Å; L1190-L1203 HydrophobicContact CD1-CB 4.48Å; L1190-L1203 HydrophobicContact CD1-CD1 4.48Å; L1190-L1203 HydrophobicContact CD2-CD1 4.1Å; L1195-L1203 HydrophobicContact CD1-CD1 3.74Å; L1195-L1203 HydrophobicContact CD2-CD1 4.08Å; E1199-L1203 WeakPolarHBondContact O-CB 3.33Å; E1199-L1203 PolarHBondContact O-N 2.93Å; C1200-L1203 PolarHBondContact O-N 2.81Å; C1201-L1203 VanDerWaalsContact C-N 3.35Å; L1203-G1205 VanDerWaalsContact C-N 3.34Å; L1203-G1205 PolarHBondContact O-N 2.83Å; L1203-Q1206 WeakPolarHBondContact O-CB 3.29Å; L1203-Q1206 PolarHBondContact O-N 3.23Å; L1203-L1207 PolarHBondContact O-N 3.23Å; L1203-L1207 VanDerWaalsContact O-N 3.12Å |
| 1204 | L | 76.2 | Confident | 67.5 | Low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 178 | -68.8 | 164.5 | 0 | 0 | 0 | 111 | L1188 C1200 Q1206 L1207 V1208 L1244 C1247 F1251 | L1188-L1204 HydrophobicContact CD2-CD2 3.24Å; L1188-L1204 HydrophobicContact CD2-CG 4.41Å; C1200-L1204 WeakPolarHBondContact O-CB 3.36Å; C1200-L1204 WeakPolarHBondContact O-CD1 3.33Å; C1200-L1204 WeakPolarHBondContact O-CG 3.48Å; C1200-L1204 PolarHBondContact O-N 3.27Å; L1204-Q1206 VanDerWaalsContact C-N 3.28Å; L1204-Q1206 PolarHBondContact O-N 3.48Å; L1204-L1207 WeakPolarHBondContact O-CB 3.44Å; L1204-L1207 PolarHBondContact O-N 2.93Å; L1204-L1207 VanDerWaalsContact O-N 3.15Å; L1204-V1208 VanDerWaalsContact O-CG2 3.29Å; L1204-V1208 WeakPolarHBondContact O-CG2 3.49Å; L1204-V1208 PolarHBondContact O-N 3.34Å; L1204-L1244 HydrophobicContact CD1-CD1 3.42Å; L1204-L1244 VanDerWaalsContact CD1-CD1 3.42Å; L1204-C1247 HydrophobicContact CB-CB 3.59Å; L1204-C1247 HydrophobicContact CD1-CB 3.81Å; L1204-C1247 HydrophobicContact CG-CB 4.3Å; L1204-F1251 HydrophobicContact CB-CE2 4.16Å; L1204-F1251 HydrophobicContact CD2-CD2 4.24Å; L1204-F1251 HydrophobicContact CD2-CE2 3.53Å; L1204-F1251 HydrophobicContact CD2-CZ 4.36Å; L1204-F1251 HydrophobicContact CG-CE2 4.44Å |
| 1205 | G | 74.9 | Confident | 68.6 | Low | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64 | -31.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1201 L1203 R1209 | C1201-G1205 WeakPolarHBondContact O-CA 2.89Å; C1201-G1205 PolarHBondContact O-N 3.46Å; L1203-G1205 VanDerWaalsContact C-N 3.34Å; L1203-G1205 PolarHBondContact O-N 2.83Å; G1205-R1209 WeakPolarHBondContact O-CG 3.46Å; G1205-R1209 VanDerWaalsContact O-CZ 3.24Å; G1205-R1209 PolarHBondContact O-N 3.12Å; G1205-R1209 VanDerWaalsContact O-N 3.12Å; G1205-R1209 PolarHBondContact O-NH1 3.24Å |
| 1206 | Q | 75.7 | Confident | 69.9 | Low | 67 Ų | 67 | 63.3 Ų | 63.3 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 173.1 | -173.9 | 173.3 | -3.5 | 0 | 0 | 111.3 | K1202 L1203 L1204 V1208 R1209 D1210 | K1202-Q1206 WeakPolarHBondContact O-CB 3.42Å; K1202-Q1206 PolarHBondContact O-N 3.15Å; L1203-Q1206 WeakPolarHBondContact O-CB 3.29Å; L1203-Q1206 PolarHBondContact O-N 3.23Å; L1204-Q1206 VanDerWaalsContact C-N 3.28Å; L1204-Q1206 PolarHBondContact O-N 3.48Å; Q1206-V1208 VanDerWaalsContact C-N 3.32Å; Q1206-V1208 PolarHBondContact O-N 2.87Å; Q1206-R1209 PolarHBondContact O-N 3.2Å; Q1206-D1210 WeakPolarHBondContact O-CB 3.48Å; Q1206-D1210 PolarHBondContact O-N 3.26Å; Q1206-D1210 VanDerWaalsContact O-N 3.14Å |
| 1207 | L | 76.3 | Confident | 71.3 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 174.9 | -68.7 | 167.6 | 0 | 0 | 0 | 112.2 | I1179 L1188 L1203 L1204 D1210 I1213 F1251 | I1179-L1207 HydrophobicContact CB-CD2 4.29Å; I1179-L1207 HydrophobicContact CG1-CD2 4Å; I1179-L1207 HydrophobicContact CG2-CD2 3.89Å; L1188-L1207 HydrophobicContact CD1-CD1 3.5Å; L1188-L1207 HydrophobicContact CD2-CD1 3.45Å; L1188-L1207 VanDerWaalsContact CD2-CD1 3.45Å; L1188-L1207 HydrophobicContact CG-CD1 4.05Å; L1203-L1207 PolarHBondContact O-N 3.23Å; L1203-L1207 VanDerWaalsContact O-N 3.12Å; L1204-L1207 WeakPolarHBondContact O-CB 3.44Å; L1204-L1207 PolarHBondContact O-N 2.93Å; L1204-L1207 VanDerWaalsContact O-N 3.15Å; L1207-D1210 PolarHBondContact O-N 3.46Å; L1207-I1213 HydrophobicContact CB-CD1 3.85Å; L1207-I1213 HydrophobicContact CD2-CD1 3.36Å; L1207-I1213 HydrophobicContact CD2-CG1 4.38Å; L1207-I1213 HydrophobicContact CG-CD1 4.21Å; L1207-I1213 WeakPolarHBondContact O-CD1 3.28Å; L1207-F1251 HydrophobicContact CB-CZ 4.02Å |
| 1208 | V | 72.5 | Confident | 72.8 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.7 | -40 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L1204 Q1206 D1210 Q1250 F1251 | L1204-V1208 VanDerWaalsContact O-CG2 3.29Å; L1204-V1208 WeakPolarHBondContact O-CG2 3.49Å; L1204-V1208 PolarHBondContact O-N 3.34Å; Q1206-V1208 VanDerWaalsContact C-N 3.32Å; Q1206-V1208 PolarHBondContact O-N 2.87Å; V1208-D1210 VanDerWaalsContact C-N 3.27Å; V1208-D1210 PolarHBondContact O-N 3.43Å; V1208-Q1250 HydrophobicContact CG1-CB 4.12Å; V1208-Q1250 VanDerWaalsContact CG1-CD 3.47Å; V1208-Q1250 HydrophobicContact CG1-CG 4.15Å; V1208-Q1250 HydrophobicContact CG2-CB 3.76Å; V1208-Q1250 HydrophobicContact CG2-CG 4.46Å; V1208-F1251 HydrophobicContact CG2-CE1 3.94Å; V1208-F1251 HydrophobicContact CG2-CE2 3.91Å; V1208-F1251 HydrophobicContact CG2-CZ 3.49Å; V1208-F1251 VanDerWaalsContact CG2-CZ 3.49Å |
| 1209 | R | 70.9 | Confident | 74 | Confident | 166 Ų | 166 | 56.6 Ų | 56.6 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -72.1 | -23 | -179.9 | -74.3 | -173.5 | -63 | -88.5 | -0.5 | 113.1 | G1205 Q1206 S1211 | G1205-R1209 WeakPolarHBondContact O-CG 3.46Å; G1205-R1209 VanDerWaalsContact O-CZ 3.24Å; G1205-R1209 PolarHBondContact O-N 3.12Å; G1205-R1209 VanDerWaalsContact O-N 3.12Å; G1205-R1209 PolarHBondContact O-NH1 3.24Å; Q1206-R1209 PolarHBondContact O-N 3.2Å; R1209-S1211 PolarHBondContact O-N 3.05Å |
| 1210 | D | 68.9 | Low | 75 | Confident | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | trans | -83.1 | 103.7 | -177.1 | -173.3 | 2.8 | 0 | 0 | 0 | 111 | R1183 Q1206 L1207 V1208 G1212 I1213 | R1183-D1210 IonicContact CZ-OD2 3.25Å; R1183-D1210 IonicContact NE-OD2 3.82Å; R1183-D1210 PolarHBondContact NE-OD2 3.07Å; R1183-D1210 IonicContact NH2-OD2 2.69Å; R1183-D1210 PolarHBondContact NH2-OD2 3.07Å; Q1206-D1210 WeakPolarHBondContact O-CB 3.48Å; Q1206-D1210 PolarHBondContact O-N 3.26Å; Q1206-D1210 VanDerWaalsContact O-N 3.14Å; L1207-D1210 PolarHBondContact O-N 3.46Å; V1208-D1210 VanDerWaalsContact C-N 3.27Å; V1208-D1210 PolarHBondContact O-N 3.43Å; D1210-G1212 PolarHBondContact O-N 2.98Å; D1210-G1212 PolarHBondContact OD1-N 3.42Å; D1210-I1213 HydrophobicContact CB-CD1 4.02Å | ||
| 1211 | S | 57.1 | Low | 75.7 | Confident | 130 Ų | 130 | 54 Ų | 54 | 91% | 0.909 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -7.2 | -179.9 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | R1209 | R1209-S1211 PolarHBondContact O-N 3.05Š|
| 1212 | G | 61.7 | Low | 75.9 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | D1210 R1214 | D1210-G1212 PolarHBondContact O-N 2.98Å; D1210-G1212 PolarHBondContact OD1-N 3.42Å; G1212-R1214 PolarHBondContact O-N 2.7Å |
| 1213 | I | 58.5 | Low | 75.2 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.138 | 25% | 0.248 | C | C | . | . | trans | -83.3 | 121.6 | -175.6 | -66.4 | 147.9 | 0 | 0 | 0 | 110.5 | R1183 L1207 D1210 V1215 I1216 | R1183-I1213 HydrophobicContact CG-CG1 3.58Å; L1207-I1213 HydrophobicContact CB-CD1 3.85Å; L1207-I1213 HydrophobicContact CD2-CD1 3.36Å; L1207-I1213 HydrophobicContact CD2-CG1 4.38Å; L1207-I1213 HydrophobicContact CG-CD1 4.21Å; L1207-I1213 WeakPolarHBondContact O-CD1 3.28Å; D1210-I1213 HydrophobicContact CB-CD1 4.02Å; I1213-V1215 PolarHBondContact O-N 2.59Å; I1213-I1216 HydrophobicContact CG2-CD1 3.66Å; I1213-I1216 HydrophobicContact CG2-CG1 3.88Å | ||
| 1214 | R | 61.9 | Low | 74.6 | Confident | 234 Ų | 234 | 47.5 Ų | 47.5 | 88% | 0.883 | 25% | 0.247 | S | C | * | . | trans | -68.2 | 2.4 | -171.7 | -131.5 | -178 | -170.6 | -158.4 | 2.7 | 115.6 | G1212 | G1212-R1214 PolarHBondContact O-N 2.7Š| ||
| 1215 | V | 80.2 | Confident | 73.9 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 35% | 0.352 | 25% | 0.249 | S | C | . | . | trans | 118.8 | 122.3 | -178.4 | 171.5 | 0 | 0 | 0 | 0 | 112 | I1213 T1217 Q1254 | I1213-V1215 PolarHBondContact O-N 2.59Å; V1215-T1217 HydrophobicContact CG1-CG2 4.05Å; V1215-Q1254 HydrophobicContact CG1-CB 3.29Å; V1215-Q1254 HydrophobicContact CG1-CG 3.52Å; V1215-Q1254 HydrophobicContact CG2-CG 4.25Å | ||
| 1216 | I | 85.9 | Confident | 73.4 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -82.8 | 121.3 | 170.3 | -58.7 | -62.8 | 0 | 0 | 0 | 109.2 | A1182 L1188 I1213 V1219 F1251 L1255 | A1182-I1216 HydrophobicContact CB-CD1 4.01Å; L1188-I1216 HydrophobicContact CB-CG2 4.2Å; I1213-I1216 HydrophobicContact CG2-CD1 3.66Å; I1213-I1216 HydrophobicContact CG2-CG1 3.88Å; I1216-V1219 HydrophobicContact CG2-CG2 3.82Å; I1216-F1251 HydrophobicContact CB-CD1 3.77Å; I1216-F1251 HydrophobicContact CB-CE1 4.01Å; I1216-F1251 HydrophobicContact CB-CG 4.49Å; I1216-F1251 HydrophobicContact CG1-CD1 3.99Å; I1216-F1251 HydrophobicContact CG1-CE1 3.68Å; I1216-F1251 HydrophobicContact CG1-CZ 4.44Å; I1216-F1251 HydrophobicContact CG2-CD1 4.29Å; I1216-L1255 HydrophobicContact CG2-CD1 4.4Å | ||
| 1217 | T | 89.8 | Confident | 72.8 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 27% | 0.27 | 25% | 0.245 | S | C | . | . | trans | -110.2 | -19.6 | -177.9 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | G1186 V1215 N1256 K1257 | G1186-T1217 PolarHBondContact O-N 3.18Å; G1186-T1217 PolarHBondContact O-OG1 3.23Å; V1215-T1217 HydrophobicContact CG1-CG2 4.05Å; T1217-N1256 WeakPolarHBondContact O-CA 3.24Å; T1217-N1256 PolarHBondContact O-N 3.31Å; T1217-K1257 PolarHBondContact O-N 3Å; T1217-K1257 VanDerWaalsContact O-N 3.14Å | ||
| 1218 | E | 93.5 | Very high | 71.9 | Confident | 35 Ų | 35 | 47.3 Ų | 47.3 | 16% | 0.164 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137.2 | 178 | 176.3 | 165.6 | 177.7 | 0 | 0 | 110.6 | G1186 V1187 L1188 Q1220 K1257 | G1186-E1218 PolarHBondContact O-N 3.31Å; G1186-E1218 VanDerWaalsContact O-N 3.16Å; V1187-E1218 HydrophobicContact CB-CB 4.34Å; V1187-E1218 HydrophobicContact CG1-CB 4.06Å; V1187-E1218 HydrophobicContact CG1-CG 3.93Å; V1187-E1218 HydrophobicContact CG2-CB 4.07Å; L1188-E1218 PolarHBondContact N-O 3.3Å; E1218-Q1220 HydrophobicContact CG-CG 4.19Å; E1218-Q1220 PolarHBondContact OE1-NE2 3.02Å; E1218-K1257 VanDerWaalsContact CA-O 3.32Å; E1218-K1257 WeakPolarHBondContact CA-O 3.44Å; E1218-K1257 HydrophobicContact CB-CB 4.08Å; E1218-K1257 HydrophobicContact CG-CB 3.74Å; E1218-K1257 WeakPolarHBondContact OE2-CD 3.33Å; E1218-K1257 IonicContact OE2-NZ 3.44Å |
| 1219 | V | 91.7 | Very high | 70.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.3 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 108.5 | L1188 I1216 L1221 L1248 L1255 K1257 L1258 N1259 | L1188-V1219 HydrophobicContact CB-CG2 4.28Å; L1188-V1219 HydrophobicContact CD2-CG2 4.39Å; L1188-V1219 WeakPolarHBondContact O-CA 3.41Å; I1216-V1219 HydrophobicContact CG2-CG2 3.82Å; V1219-L1221 HydrophobicContact CG1-CD1 3.71Å; V1219-L1221 HydrophobicContact CG1-CG 3.76Å; V1219-L1248 HydrophobicContact CG1-CD2 4.16Å; V1219-L1255 HydrophobicContact CB-CD1 4.08Å; V1219-L1255 HydrophobicContact CG2-CD1 3.57Å; V1219-K1257 PolarHBondContact N-O 3.49Å; V1219-L1258 HydrophobicContact CB-CD1 4.06Å; V1219-L1258 HydrophobicContact CG1-CD1 4.14Å; V1219-N1259 PolarHBondContact O-N 3.35Å |
| 1220 | Q | 90 | Very high | 69 | Low | 39 Ų | 39 | 47 Ų | 47 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 112.9 | 176.2 | -59.7 | -173.9 | 6.3 | 0 | 0 | 109.4 | L1188 D1189 L1190 S1191 E1218 N1259 | L1188-Q1220 PolarHBondContact O-N 2.93Å; D1189-Q1220 PolarHBondContact OD1-OE1 3.43Å; L1190-Q1220 CarbonylContact C-O 3.58Å; L1190-Q1220 VanDerWaalsContact C-O 3.28Å; L1190-Q1220 WeakPolarHBondContact CA-O 3.46Å; L1190-Q1220 PolarHBondContact N-O 3.25Å; S1191-Q1220 PolarHBondContact N-O 3.03Å; E1218-Q1220 HydrophobicContact CG-CG 4.19Å; E1218-Q1220 PolarHBondContact OE1-NE2 3.02Å; Q1220-N1259 HydrophobicContact CG-CB 4.39Å |
| 1221 | L | 84.2 | Confident | 67.3 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -123.5 | 18.4 | -179.6 | -71.6 | 166.1 | 0 | 0 | 0 | 111.3 | L1190 V1219 N1224 L1226 L1244 L1248 N1259 L1260 N1263 | L1190-L1221 HydrophobicContact CB-CD2 3.87Å; L1190-L1221 HydrophobicContact CD1-CD2 4.02Å; V1219-L1221 HydrophobicContact CG1-CD1 3.71Å; V1219-L1221 HydrophobicContact CG1-CG 3.76Å; L1221-N1224 PolarHBondContact O-ND2 3.03Å; L1221-L1226 HydrophobicContact CB-CD1 4.17Å; L1221-L1226 HydrophobicContact CD2-CD1 4.45Å; L1221-L1244 HydrophobicContact CD1-CD1 4.34Å; L1221-L1248 HydrophobicContact CD1-CD2 4.14Å; L1221-N1259 PolarHBondContact N-O 3.32Å; L1221-L1260 HydrophobicContact CB-CD2 3.99Å; L1221-L1260 HydrophobicContact CD1-CD2 3.9Å; L1221-N1263 PolarHBondContact O-ND2 2.92Å | ||
| 1222 | Q | 76.5 | Confident | 66.3 | Low | 26 Ų | 26 | 52 Ų | 52 | 12% | 0.121 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 147.8 | -178.8 | 68.7 | -91.3 | 4.7 | 0 | 0 | 112.9 | S1191 N1192 N1224 N1259 S1261 | S1191-Q1222 CarbonylContact C-O 3.53Å; S1191-Q1222 WeakPolarHBondContact CA-O 3.33Å; S1191-Q1222 PolarHBondContact OG-NE2 3.27Å; N1192-Q1222 PolarHBondContact N-O 3.36Å; N1192-Q1222 PolarHBondContact OD1-O 2.9Å; N1192-Q1222 VanDerWaalsContact OD1-O 3.11Å; Q1222-N1224 VanDerWaalsContact C-N 3.35Å; Q1222-N1224 PolarHBondContact O-N 2.85Å; Q1222-N1224 PolarHBondContact O-ND2 3.05Å; Q1222-N1259 VanDerWaalsContact CD-ND2 3.32Å; Q1222-N1259 PolarHBondContact OE1-ND2 3.39Å; Q1222-S1261 CarbonylContact C-O 3.59Å; Q1222-S1261 WeakPolarHBondContact CA-O 3.18Å; Q1222-S1261 WeakPolarHBondContact CB-O 3.42Å; Q1222-S1261 WeakPolarHBondContact CB-OG 3.22Å |
| 1223 | G | 56.6 | Low | 64.9 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 35.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1192 S1261 M1262 | N1192-G1223 VanDerWaalsContact OD1-CA 3.31Å; N1192-G1223 WeakPolarHBondContact OD1-CA 3.33Å; G1223-S1261 PolarHBondContact N-O 3.33Å; G1223-S1261 VanDerWaalsContact N-O 3.11Å; G1223-M1262 WeakPolarHBondContact CA-O 3.28Å; G1223-M1262 PolarHBondContact N-O 3.49Å |
| 1224 | N | 63.6 | Low | 64 | Low | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -107.1 | -0.7 | 172.3 | -69.4 | -66.5 | 0 | 0 | 0 | 112.6 | L1190 L1193 S1194 L1195 L1221 Q1222 L1226 N1263 | L1190-N1224 PolarHBondContact O-ND2 3.38Å; L1190-N1224 PolarHBondContact O-OD1 3.29Å; L1193-N1224 PolarHBondContact N-OD1 2.96Å; L1193-N1224 VanDerWaalsContact N-OD1 3.07Å; S1194-N1224 PolarHBondContact N-OD1 2.97Å; L1195-N1224 PolarHBondContact N-OD1 3.29Å; L1221-N1224 PolarHBondContact O-ND2 3.03Å; Q1222-N1224 VanDerWaalsContact C-N 3.35Å; Q1222-N1224 PolarHBondContact O-N 2.85Å; Q1222-N1224 PolarHBondContact O-ND2 3.05Å; N1224-L1226 HydrophobicContact CB-CD1 4.18Å; N1224-L1226 HydrophobicContact CB-CD2 3.85Å; N1224-L1226 HydrophobicContact CB-CG 3.77Å; N1224-L1226 PolarHBondContact O-N 2.79Å; N1224-N1263 PolarHBondContact N-OD1 3.24Å |
| 1225 | S | 61.6 | Low | 62.6 | Low | 7 Ų | 7 | 61.2 Ų | 61.2 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | trans | 60.9 | 30.8 | 179.6 | 0.5 | 0 | 0 | 0 | 0 | 114.7 | L1108 N1263 | L1108-S1225 WeakPolarHBondContact CB-OG 3.35Å; S1225-N1263 PolarHBondContact N-OD1 2.79Å | ||
| 1226 | L | 64.6 | Low | 60.1 | Low | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | trans | -63.7 | 139 | -178.6 | -53.7 | 174.1 | 0 | 0 | 0 | 109.7 | L1195 D1197 L1221 N1224 L1244 N1263 L1264 F1265 | L1195-L1226 WeakPolarHBondContact O-CD2 3.34Å; D1197-L1226 WeakPolarHBondContact OD1-CD2 3.34Å; L1221-L1226 HydrophobicContact CB-CD1 4.17Å; L1221-L1226 HydrophobicContact CD2-CD1 4.45Å; N1224-L1226 HydrophobicContact CB-CD1 4.18Å; N1224-L1226 HydrophobicContact CB-CD2 3.85Å; N1224-L1226 HydrophobicContact CB-CG 3.77Å; N1224-L1226 PolarHBondContact O-N 2.79Å; L1226-L1244 HydrophobicContact CD1-CD2 4.03Å; L1226-N1263 HydrophobicContact CB-CB 4.39Å; L1226-N1263 PolarHBondContact N-OD1 3.16Å; L1226-L1264 CarbonylContact O-C 3.56Å; L1226-L1264 WeakPolarHBondContact O-CA 3.07Å; L1226-L1264 PolarHBondContact O-N 2.72Å; L1226-F1265 HydrophobicContact CB-CE1 3.66Å; L1226-F1265 HydrophobicContact CB-CE2 4.27Å; L1226-F1265 HydrophobicContact CB-CZ 3.41Å; L1226-F1265 VanDerWaalsContact CB-CZ 3.41Å; L1226-F1265 HydrophobicContact CD1-CZ 3.89Å; L1226-F1265 HydrophobicContact CG-CZ 4.27Å | ||
| 1227 | T | 63 | Low | 57.9 | Low | 36 Ų | 36 | 69.1 Ų | 69.1 | 22% | 0.221 | 37% | 0.374 | C | S | . | . | trans | -124.8 | 178.7 | -172.4 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | L1264 | T1227-L1264 HydrophobicContact CG2-CB 3.83Å; T1227-L1264 HydrophobicContact CG2-CD1 3.93Å; T1227-L1264 HydrophobicContact CG2-CG 4.49Å | ||
| 1228 | T | 58 | Low | 55.3 | Low | 25 Ų | 25 | 70.4 Ų | 70.4 | 15% | 0.153 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -84.8 | -18.2 | -175.5 | 50.7 | 0 | 0 | 0 | 0 | 115.2 | D1266 F1269 R1272 | T1228-D1266 HydrophobicContact CG2-CB 4.1Å; T1228-D1266 WeakPolarHBondContact CG2-OD1 3.47Å; T1228-D1266 WeakPolarHBondContact CG2-OD2 3.28Å; T1228-F1269 HydrophobicContact CG2-CB 3.75Å; T1228-R1272 PolarHBondContact O-NH1 3.31Å; T1228-R1272 VanDerWaalsContact O-NH1 3.16Å |
| 1229 | D | 42.6 | Very low | 52.4 | Low | 104 Ų | 104 | 76.4 Ų | 76.4 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | trans | -111.4 | 107 | -158.1 | -65.2 | -18.6 | 0 | 0 | 0 | 111.3 | ||||
| 1230 | I | 38.8 | Very low | 50.1 | Low | 108 Ų | 108 | 83.6 Ų | 83.6 | 55% | 0.554 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -161.2 | 96.1 | 136.3 | -86.7 | 141.3 | 0 | 0 | 0 | 107.5 | ||
| 1231 | I | 34.3 | Very low | 48 | Very low | 139 Ų | 139 | 90.8 Ų | 90.8 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | trans | 72.7 | 102.4 | 143.9 | -51.1 | 171.7 | 0 | 0 | 0 | 118.2 | T1233 | I1231-T1233 PolarHBondContact O-N 2.8Å; I1231-T1233 VanDerWaalsContact O-N 3.08Å | ||
| 1232 | D | 34.3 | Very low | 46.5 | Very low | 144 Ų | 144 | 93.6 Ų | 93.6 | 77% | 0.77 | 49% | 0.494 | S | S | * | . | trans | -51.6 | 108.4 | 149.8 | -97.9 | -42.8 | 0 | 0 | 0 | 109.6 | K1234 | D1232-K1234 PolarHBondContact O-N 3.41Š| ||
| 1233 | T | 32.7 | Very low | 46.2 | Very low | 113 Ų | 113 | 96.2 Ų | 96.2 | 69% | 0.693 | 51% | 0.509 | S | S | * | . | trans | -72.6 | 103.7 | -179.5 | 37.5 | 0 | 0 | 0 | 0 | 110.5 | I1231 | I1231-T1233 PolarHBondContact O-N 2.8Å; I1231-T1233 VanDerWaalsContact O-N 3.08Å | ||
| 1234 | K | 39.5 | Very low | 47.1 | Very low | 206 Ų | 206 | 96.4 Ų | 96.4 | 90% | 0.896 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -121.4 | -3.1 | 149.4 | -84.7 | -169.7 | 178.3 | 176.7 | 0 | 114.9 | D1232 | D1232-K1234 PolarHBondContact O-N 3.41Š|
| 1235 | Q | 32.2 | Very low | 47.7 | Very low | 189 Ų | 189 | 96.8 Ų | 96.8 | 88% | 0.883 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -143.2 | 72.7 | 177.7 | -70.3 | -173 | -9.2 | 0 | 0 | 112.3 | ||
| 1236 | C | 29 | Very low | 48.3 | Very low | 92 Ų | 92 | 100 Ų | 100 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | trans | -154.7 | 83.6 | 156.2 | -115.5 | 0 | 0 | 0 | 0 | 109.2 | S1238 | C1236-S1238 PolarHBondContact O-N 3.43Å; C1236-S1238 VanDerWaalsContact O-N 3.1Å | ||
| 1237 | S | 38.9 | Very low | 48.9 | Very low | 138 Ų | 138 | 99.9 Ų | 99.9 | 97% | 0.965 | 53% | 0.528 | S | S | * | . | trans | -75.6 | 25 | 168.5 | 51 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1238 | S | 35.6 | Very low | 49.8 | Very low | 70 Ų | 70 | 98.2 Ų | 98.2 | 49% | 0.49 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -115.7 | 97.2 | -178.5 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | C1236 | C1236-S1238 PolarHBondContact O-N 3.43Å; C1236-S1238 VanDerWaalsContact O-N 3.1Å |
| 1239 | M | 33.2 | Very low | 50.8 | Low | 162 Ų | 162 | 97.2 Ų | 97.2 | 80% | 0.798 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 40.1 | 107.3 | 151.5 | -71.2 | -75.6 | -168.7 | 0 | 0 | 118.9 | ||
| 1240 | N | 42.5 | Very low | 52.5 | Low | 151 Ų | 151 | 95.3 Ų | 95.3 | 81% | 0.807 | 50% | 0.5 | S | S | * | . | trans | 62.3 | 50.2 | 144.4 | -64.6 | -12.3 | 0 | 0 | 0 | 120.3 | ||||
| 1241 | Y | 45.8 | Very low | 54.7 | Low | 190 Ų | 190 | 91.1 Ų | 91.1 | 75% | 0.745 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 118.5 | 160.4 | -68.2 | -80.9 | 0 | 0 | 0 | 110.4 | ||
| 1242 | I | 53.6 | Low | 56.8 | Low | 58 Ų | 58 | 84.5 Ų | 84.5 | 30% | 0.297 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -97.2 | 127.8 | 174.6 | -55 | 172.8 | 0 | 0 | 0 | 106.9 | C1201 D1246 C1247 | C1201-I1242 VanDerWaalsContact CB-O 3.24Å; C1201-I1242 WeakPolarHBondContact CB-O 3.43Å; C1201-I1242 PolarHBondContact SG-O 3.38Å; I1242-D1246 HydrophobicContact CG2-CB 3.71Å; I1242-C1247 WeakPolarHBondContact CG2-SG 3.22Å |
| 1243 | N | 69.4 | Low | 59 | Low | 82 Ų | 82 | 80.4 Ų | 80.4 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 153.8 | 177.3 | -174.6 | -41.6 | 0 | 0 | 0 | 110.3 | T1245 D1246 C1247 | N1243-T1245 PolarHBondContact O-N 3.1Å; N1243-T1245 PolarHBondContact OD1-N 2.8Å; N1243-T1245 PolarHBondContact OD1-OG1 3.24Å; N1243-D1246 PolarHBondContact N-OD2 2.93Å; N1243-D1246 WeakPolarHBondContact O-CB 3.19Å; N1243-D1246 PolarHBondContact O-N 3.24Å; N1243-C1247 PolarHBondContact O-N 3.35Å |
| 1244 | L | 76.7 | Confident | 61.5 | Low | 3 Ų | 3 | 78.1 Ų | 78.1 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -54.8 | -38.9 | 175.6 | 179.4 | 62.5 | 0 | 0 | 0 | 110.9 | C1200 C1201 L1204 L1221 L1226 D1246 C1247 L1248 F1265 | C1200-L1244 HydrophobicContact CB-CD1 4.23Å; C1201-L1244 WeakPolarHBondContact SG-CA 2.97Å; C1201-L1244 PolarHBondContact SG-N 2.96Å; L1204-L1244 HydrophobicContact CD1-CD1 3.42Å; L1204-L1244 VanDerWaalsContact CD1-CD1 3.42Å; L1221-L1244 HydrophobicContact CD1-CD1 4.34Å; L1226-L1244 HydrophobicContact CD1-CD2 4.03Å; L1244-D1246 VanDerWaalsContact C-N 3.34Å; L1244-D1246 PolarHBondContact O-N 3.21Å; L1244-C1247 WeakPolarHBondContact O-CB 3.17Å; L1244-C1247 PolarHBondContact O-N 3.38Å; L1244-L1248 HydrophobicContact CD1-CD1 4.46Å; L1244-L1248 HydrophobicContact CD1-CG 4.38Å; L1244-L1248 HydrophobicContact CG-CD1 4.22Å; L1244-L1248 WeakPolarHBondContact O-CG 3.47Å; L1244-L1248 PolarHBondContact O-N 3.15Å; L1244-F1265 HydrophobicContact CD2-CZ 4.45Å |
| 1245 | T | 75.4 | Confident | 63.9 | Low | 13 Ų | 13 | 68.3 Ų | 68.3 | 8% | 0.08 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.9 | -48.2 | 173.2 | -65 | 0 | 0 | 0 | 0 | 111.4 | N1243 L1248 C1249 F1273 A1276 | N1243-T1245 PolarHBondContact O-N 3.1Å; N1243-T1245 PolarHBondContact OD1-N 2.8Å; N1243-T1245 PolarHBondContact OD1-OG1 3.24Å; T1245-L1248 PolarHBondContact O-N 3.21Å; T1245-C1249 WeakPolarHBondContact O-CB 3.44Å; T1245-C1249 PolarHBondContact O-N 3.21Å; T1245-C1249 PolarHBondContact O-SG 3.31Å; T1245-F1273 HydrophobicContact CG2-CD2 4.16Å; T1245-A1276 HydrophobicContact CG2-CB 3.18Å |
| 1246 | D | 74.2 | Confident | 66.8 | Low | 74 Ų | 74 | 61.8 Ų | 61.8 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | -179.3 | -61.6 | -37 | 0 | 0 | 0 | 111.6 | I1242 N1243 L1244 C1249 Q1250 | I1242-D1246 HydrophobicContact CG2-CB 3.71Å; N1243-D1246 PolarHBondContact N-OD2 2.93Å; N1243-D1246 WeakPolarHBondContact O-CB 3.19Å; N1243-D1246 PolarHBondContact O-N 3.24Å; L1244-D1246 VanDerWaalsContact C-N 3.34Å; L1244-D1246 PolarHBondContact O-N 3.21Å; D1246-C1249 WeakPolarHBondContact O-CB 3.37Å; D1246-C1249 PolarHBondContact O-N 3.23Å; D1246-Q1250 WeakPolarHBondContact O-CG 3.4Å; D1246-Q1250 PolarHBondContact O-N 3.36Å |
| 1247 | C | 77.7 | Confident | 70 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 175.6 | -78.7 | 0 | 0 | 0 | 0 | 112 | L1204 I1242 N1243 L1244 C1249 Q1250 F1251 | L1204-C1247 HydrophobicContact CB-CB 3.59Å; L1204-C1247 HydrophobicContact CD1-CB 3.81Å; L1204-C1247 HydrophobicContact CG-CB 4.3Å; I1242-C1247 WeakPolarHBondContact CG2-SG 3.22Å; N1243-C1247 PolarHBondContact O-N 3.35Å; L1244-C1247 WeakPolarHBondContact O-CB 3.17Å; L1244-C1247 PolarHBondContact O-N 3.38Å; C1247-C1249 VanDerWaalsContact C-N 3.33Å; C1247-Q1250 WeakPolarHBondContact O-CB 3.11Å; C1247-Q1250 PolarHBondContact O-N 2.95Å; C1247-Q1250 VanDerWaalsContact O-N 3.17Å; C1247-F1251 WeakPolarHBondContact O-CD2 3.21Å |
| 1248 | L | 81.5 | Confident | 72.6 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 175.8 | -70.8 | 175.7 | 0 | 0 | 0 | 111.5 | V1219 L1221 L1244 T1245 Q1250 F1251 S1252 L1258 F1273 | V1219-L1248 HydrophobicContact CG1-CD2 4.16Å; L1221-L1248 HydrophobicContact CD1-CD2 4.14Å; L1244-L1248 HydrophobicContact CD1-CD1 4.46Å; L1244-L1248 HydrophobicContact CD1-CG 4.38Å; L1244-L1248 HydrophobicContact CG-CD1 4.22Å; L1244-L1248 WeakPolarHBondContact O-CG 3.47Å; L1244-L1248 PolarHBondContact O-N 3.15Å; T1245-L1248 PolarHBondContact O-N 3.21Å; L1248-Q1250 PolarHBondContact O-N 3.33Å; L1248-F1251 PolarHBondContact O-N 2.91Å; L1248-F1251 VanDerWaalsContact O-N 3.13Å; L1248-S1252 PolarHBondContact O-N 3.09Å; L1248-L1258 HydrophobicContact CD2-CD1 4.2Å; L1248-F1273 HydrophobicContact CB-CD2 4.49Å; L1248-F1273 HydrophobicContact CB-CE2 3.56Å; L1248-F1273 HydrophobicContact CB-CZ 4.14Å; L1248-F1273 HydrophobicContact CD1-CE2 4.13Å |
| 1249 | C | 79 | Confident | 75.3 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -32.2 | 173.1 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | T1245 D1246 C1247 F1251 S1252 L1277 R1280 | T1245-C1249 WeakPolarHBondContact O-CB 3.44Å; T1245-C1249 PolarHBondContact O-N 3.21Å; T1245-C1249 PolarHBondContact O-SG 3.31Å; D1246-C1249 WeakPolarHBondContact O-CB 3.37Å; D1246-C1249 PolarHBondContact O-N 3.23Å; C1247-C1249 VanDerWaalsContact C-N 3.33Å; C1249-F1251 VanDerWaalsContact C-N 3.35Å; C1249-F1251 PolarHBondContact O-N 3.49Å; C1249-S1252 VanDerWaalsContact O-CB 3.23Å; C1249-S1252 WeakPolarHBondContact O-CB 3.31Å; C1249-S1252 PolarHBondContact O-N 2.95Å; C1249-S1252 PolarHBondContact O-OG 3.39Å; C1249-L1277 HydrophobicContact CB-CD2 4.14Å; C1249-L1277 VanDerWaalsContact SG-CD2 3.59Å; C1249-R1280 WeakPolarHBondContact O-CD 3.47Å; C1249-R1280 PolarHBondContact O-NE 3.32Å |
| 1250 | Q | 79 | Confident | 78 | Confident | 63 Ų | 63 | 45.2 Ų | 45.2 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.7 | -28.2 | 177.9 | -73.4 | 167 | -20.8 | 0 | 0 | 113.3 | V1208 D1246 C1247 L1248 | V1208-Q1250 HydrophobicContact CG1-CB 4.12Å; V1208-Q1250 VanDerWaalsContact CG1-CD 3.47Å; V1208-Q1250 HydrophobicContact CG1-CG 4.15Å; V1208-Q1250 HydrophobicContact CG2-CB 3.76Å; V1208-Q1250 HydrophobicContact CG2-CG 4.46Å; D1246-Q1250 WeakPolarHBondContact O-CG 3.4Å; D1246-Q1250 PolarHBondContact O-N 3.36Å; C1247-Q1250 WeakPolarHBondContact O-CB 3.11Å; C1247-Q1250 PolarHBondContact O-N 2.95Å; C1247-Q1250 VanDerWaalsContact O-N 3.17Å; L1248-Q1250 PolarHBondContact O-N 3.33Å |
| 1251 | F | 83.5 | Confident | 79.7 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 9% | 0.088 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -88 | -9.3 | 174.7 | -59.8 | -61.8 | 0 | 0 | 0 | 113.8 | L1204 L1207 V1208 I1216 C1247 L1248 C1249 L1253 Q1254 L1255 | L1204-F1251 HydrophobicContact CB-CE2 4.16Å; L1204-F1251 HydrophobicContact CD2-CD2 4.24Å; L1204-F1251 HydrophobicContact CD2-CE2 3.53Å; L1204-F1251 HydrophobicContact CD2-CZ 4.36Å; L1204-F1251 HydrophobicContact CG-CE2 4.44Å; L1207-F1251 HydrophobicContact CB-CZ 4.02Å; V1208-F1251 HydrophobicContact CG2-CE1 3.94Å; V1208-F1251 HydrophobicContact CG2-CE2 3.91Å; V1208-F1251 HydrophobicContact CG2-CZ 3.49Å; V1208-F1251 VanDerWaalsContact CG2-CZ 3.49Å; I1216-F1251 HydrophobicContact CB-CD1 3.77Å; I1216-F1251 HydrophobicContact CB-CE1 4.01Å; I1216-F1251 HydrophobicContact CB-CG 4.49Å; I1216-F1251 HydrophobicContact CG1-CD1 3.99Å; I1216-F1251 HydrophobicContact CG1-CE1 3.68Å; I1216-F1251 HydrophobicContact CG1-CZ 4.44Å; I1216-F1251 HydrophobicContact CG2-CD1 4.29Å; C1247-F1251 WeakPolarHBondContact O-CD2 3.21Å; L1248-F1251 PolarHBondContact O-N 2.91Å; L1248-F1251 VanDerWaalsContact O-N 3.13Å; C1249-F1251 VanDerWaalsContact C-N 3.35Å; C1249-F1251 PolarHBondContact O-N 3.49Å; F1251-L1253 VanDerWaalsContact C-N 3.32Å; F1251-L1253 PolarHBondContact O-N 2.99Å; F1251-L1253 VanDerWaalsContact O-N 3.13Å; F1251-Q1254 PolarHBondContact O-N 3.01Å; F1251-Q1254 VanDerWaalsContact O-N 3.09Å; F1251-L1255 PolarHBondContact O-N 3.02Å; F1251-L1255 VanDerWaalsContact O-N 3.14Å |
| 1252 | S | 79.6 | Confident | 81 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -40.1 | -169.1 | 60.2 | 0 | 0 | 0 | 0 | 116 | L1248 C1249 Q1254 F1281 | L1248-S1252 PolarHBondContact O-N 3.09Å; C1249-S1252 VanDerWaalsContact O-CB 3.23Å; C1249-S1252 WeakPolarHBondContact O-CB 3.31Å; C1249-S1252 PolarHBondContact O-N 2.95Å; C1249-S1252 PolarHBondContact O-OG 3.39Å; S1252-Q1254 VanDerWaalsContact C-N 3.26Å; S1252-Q1254 PolarHBondContact O-N 2.72Å; S1252-F1281 WeakPolarHBondContact OG-CE2 3.4Å |
| 1253 | L | 80.1 | Confident | 82.1 | Confident | 59 Ų | 59 | 29.4 Ų | 29.4 | 31% | 0.309 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.8 | -176.5 | -73.1 | 171.1 | 0 | 0 | 0 | 113.8 | F1251 F1281 R1294 | F1251-L1253 VanDerWaalsContact C-N 3.32Å; F1251-L1253 PolarHBondContact O-N 2.99Å; F1251-L1253 VanDerWaalsContact O-N 3.13Å; L1253-F1281 HydrophobicContact CD2-CE1 3.39Å; L1253-F1281 HydrophobicContact CD2-CZ 3.59Å; L1253-F1281 HydrophobicContact CG-CE1 4.3Å; L1253-F1281 HydrophobicContact CG-CZ 4.04Å; L1253-R1294 VanDerWaalsContact O-CD 3.29Å; L1253-R1294 WeakPolarHBondContact O-CD 3.46Å |
| 1254 | Q | 84.7 | Confident | 82.1 | Confident | 64 Ų | 64 | 26.5 Ų | 26.5 | 30% | 0.299 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -12.5 | -170.5 | -58.3 | -65.3 | -29.2 | 0 | 0 | 113.9 | V1215 F1251 S1252 N1256 R1294 | V1215-Q1254 HydrophobicContact CG1-CB 3.29Å; V1215-Q1254 HydrophobicContact CG1-CG 3.52Å; V1215-Q1254 HydrophobicContact CG2-CG 4.25Å; F1251-Q1254 PolarHBondContact O-N 3.01Å; F1251-Q1254 VanDerWaalsContact O-N 3.09Å; S1252-Q1254 VanDerWaalsContact C-N 3.26Å; S1252-Q1254 PolarHBondContact O-N 2.72Å; Q1254-N1256 PolarHBondContact O-N 3.35Å; Q1254-R1294 VanDerWaalsContact OE1-CZ 3.27Å |
| 1255 | L | 89.5 | Confident | 82 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | trans | -71.6 | 122.3 | -174.5 | -158.2 | 73.5 | 0 | 0 | 0 | 111.7 | I1216 V1219 F1251 L1258 M1292 R1294 L1295 | I1216-L1255 HydrophobicContact CG2-CD1 4.4Å; V1219-L1255 HydrophobicContact CB-CD1 4.08Å; V1219-L1255 HydrophobicContact CG2-CD1 3.57Å; F1251-L1255 PolarHBondContact O-N 3.02Å; F1251-L1255 VanDerWaalsContact O-N 3.14Å; L1255-L1258 HydrophobicContact CD2-CB 3.82Å; L1255-L1258 HydrophobicContact CD2-CD1 4.06Å; L1255-L1258 HydrophobicContact CD2-CD2 4.26Å; L1255-L1258 HydrophobicContact CD2-CG 4.26Å; L1255-M1292 HydrophobicContact CB-CE 3.63Å; L1255-M1292 HydrophobicContact CD2-CE 3.56Å; L1255-M1292 HydrophobicContact CG-CE 4.17Å; L1255-R1294 CarbonylContact O-C 3.49Å; L1255-R1294 VanDerWaalsContact O-C 3.22Å; L1255-L1295 HydrophobicContact CD2-CD1 4.3Å; L1255-L1295 HydrophobicContact CG-CD1 4.4Å; L1255-L1295 VanDerWaalsContact O-CA 3.27Å; L1255-L1295 WeakPolarHBondContact O-CA 3.24Å; L1255-L1295 PolarHBondContact O-N 3.46Å; L1255-L1295 VanDerWaalsContact O-N 3.14Å | ||
| 1256 | N | 93.4 | Very high | 81.6 | Confident | 52 Ų | 52 | 27 Ų | 27 | 28% | 0.278 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -97.7 | -32.2 | 175.9 | -67.7 | -14.5 | 0 | 0 | 0 | 112.4 | T1217 Q1254 R1294 Q1296 H1297 | T1217-N1256 WeakPolarHBondContact O-CA 3.24Å; T1217-N1256 PolarHBondContact O-N 3.31Å; Q1254-N1256 PolarHBondContact O-N 3.35Å; N1256-R1294 PolarHBondContact OD1-O 2.89Å; N1256-Q1296 PolarHBondContact O-N 3.16Å; N1256-H1297 PolarHBondContact O-N 3.22Å; N1256-H1297 VanDerWaalsContact O-N 3.1Å |
| 1257 | K | 95.9 | Very high | 81.5 | Confident | 83 Ų | 83 | 24.9 Ų | 24.9 | 36% | 0.361 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.5 | -179.9 | -58.1 | -162.9 | -168.4 | 157.7 | 0 | 111.8 | T1217 E1218 V1219 H1297 | T1217-K1257 PolarHBondContact O-N 3Å; T1217-K1257 VanDerWaalsContact O-N 3.14Å; E1218-K1257 VanDerWaalsContact CA-O 3.32Å; E1218-K1257 WeakPolarHBondContact CA-O 3.44Å; E1218-K1257 HydrophobicContact CB-CB 4.08Å; E1218-K1257 HydrophobicContact CG-CB 3.74Å; E1218-K1257 WeakPolarHBondContact OE2-CD 3.33Å; E1218-K1257 IonicContact OE2-NZ 3.44Å; V1219-K1257 PolarHBondContact N-O 3.49Å; K1257-H1297 WeakPolarHBondContact CA-O 3.42Å; K1257-H1297 HydrophobicContact CB-CB 4.19Å; K1257-H1297 HydrophobicContact CD-CB 4.13Å; K1257-H1297 HydrophobicContact CG-CB 3.82Å |
| 1258 | L | 94.4 | Very high | 81.1 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 116.8 | 177.6 | -179.2 | 55.9 | 0 | 0 | 0 | 109.6 | V1219 L1248 L1255 L1260 L1295 H1297 L1298 N1299 | V1219-L1258 HydrophobicContact CB-CD1 4.06Å; V1219-L1258 HydrophobicContact CG1-CD1 4.14Å; L1248-L1258 HydrophobicContact CD2-CD1 4.2Å; L1255-L1258 HydrophobicContact CD2-CB 3.82Å; L1255-L1258 HydrophobicContact CD2-CD1 4.06Å; L1255-L1258 HydrophobicContact CD2-CD2 4.26Å; L1255-L1258 HydrophobicContact CD2-CG 4.26Å; L1258-L1260 HydrophobicContact CD1-CD2 3.95Å; L1258-L1260 HydrophobicContact CD1-CG 4.04Å; L1258-L1260 HydrophobicContact CD2-CD1 4.02Å; L1258-L1260 HydrophobicContact CD2-CG 4.37Å; L1258-L1260 HydrophobicContact CG-CD1 4.14Å; L1258-L1260 HydrophobicContact CG-CD2 4.39Å; L1258-L1260 HydrophobicContact CG-CG 3.93Å; L1258-L1295 HydrophobicContact CB-CD1 3.79Å; L1258-H1297 PolarHBondContact N-O 3.31Å; L1258-L1298 HydrophobicContact CB-CD1 4.06Å; L1258-L1298 HydrophobicContact CD2-CD1 4.04Å; L1258-L1298 HydrophobicContact CG-CD1 4.08Å; L1258-L1298 WeakPolarHBondContact O-CA 3.41Å; L1258-N1299 PolarHBondContact O-N 3.19Å |
| 1259 | N | 92.5 | Very high | 81 | Confident | 28 Ų | 28 | 28.8 Ų | 28.8 | 15% | 0.15 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 113.5 | 175.9 | -166.8 | -5.7 | 0 | 0 | 0 | 110.7 | V1219 Q1220 L1221 Q1222 S1261 N1299 | V1219-N1259 PolarHBondContact O-N 3.35Å; Q1220-N1259 HydrophobicContact CG-CB 4.39Å; L1221-N1259 PolarHBondContact N-O 3.32Å; Q1222-N1259 VanDerWaalsContact CD-ND2 3.32Å; Q1222-N1259 PolarHBondContact OE1-ND2 3.39Å; N1259-S1261 WeakPolarHBondContact OD1-CB 3.42Å; N1259-S1261 PolarHBondContact OD1-N 2.71Å; N1259-S1261 VanDerWaalsContact OD1-N 3.1Å; N1259-S1261 PolarHBondContact OD1-OG 3.08Å; N1259-N1299 HydrophobicContact CB-CB 4.43Å; N1259-N1299 WeakPolarHBondContact OD1-CB 3.02Å; N1259-N1299 PolarHBondContact OD1-ND2 3.37Å |
| 1260 | L | 90.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -120.8 | 16.4 | 179.8 | -62 | 178.2 | 0 | 0 | 0 | 111.4 | L1221 L1258 N1263 F1265 F1270 N1299 L1300 N1303 | L1221-L1260 HydrophobicContact CB-CD2 3.99Å; L1221-L1260 HydrophobicContact CD1-CD2 3.9Å; L1258-L1260 HydrophobicContact CD1-CD2 3.95Å; L1258-L1260 HydrophobicContact CD1-CG 4.04Å; L1258-L1260 HydrophobicContact CD2-CD1 4.02Å; L1258-L1260 HydrophobicContact CD2-CG 4.37Å; L1258-L1260 HydrophobicContact CG-CD1 4.14Å; L1258-L1260 HydrophobicContact CG-CD2 4.39Å; L1258-L1260 HydrophobicContact CG-CG 3.93Å; L1260-N1263 PolarHBondContact O-ND2 3.48Å; L1260-F1265 HydrophobicContact CB-CD2 4.18Å; L1260-F1265 HydrophobicContact CB-CE2 3.84Å; L1260-F1265 HydrophobicContact CD1-CE2 4.39Å; L1260-F1265 HydrophobicContact CD2-CE2 4.05Å; L1260-F1265 HydrophobicContact CD2-CZ 4.43Å; L1260-F1265 HydrophobicContact CG-CE2 4.31Å; L1260-F1270 HydrophobicContact CD1-CE1 4.06Å; L1260-F1270 HydrophobicContact CD1-CZ 3.77Å; L1260-N1299 CarbonylContact C-O 3.46Å; L1260-N1299 WeakPolarHBondContact CA-O 3.31Å; L1260-N1299 PolarHBondContact N-O 2.97Å; L1260-L1300 HydrophobicContact CB-CD2 3.72Å; L1260-L1300 HydrophobicContact CD1-CD2 3.93Å; L1260-L1300 HydrophobicContact CG-CD2 4.28Å; L1260-N1303 PolarHBondContact O-ND2 3.09Å | ||
| 1261 | S | 78.2 | Confident | 80.7 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | trans | -63 | 158.1 | -177.4 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | Q1222 G1223 N1259 N1263 N1299 S1301 | Q1222-S1261 CarbonylContact C-O 3.59Å; Q1222-S1261 WeakPolarHBondContact CA-O 3.18Å; Q1222-S1261 WeakPolarHBondContact CB-O 3.42Å; Q1222-S1261 WeakPolarHBondContact CB-OG 3.22Å; G1223-S1261 PolarHBondContact N-O 3.33Å; G1223-S1261 VanDerWaalsContact N-O 3.11Å; N1259-S1261 WeakPolarHBondContact OD1-CB 3.42Å; N1259-S1261 PolarHBondContact OD1-N 2.71Å; N1259-S1261 VanDerWaalsContact OD1-N 3.1Å; N1259-S1261 PolarHBondContact OD1-OG 3.08Å; S1261-N1263 VanDerWaalsContact C-N 3.29Å; S1261-N1263 PolarHBondContact O-N 2.92Å; S1261-N1263 PolarHBondContact O-ND2 3.32Å; S1261-N1299 PolarHBondContact N-O 3.22Å; S1261-S1301 CarbonylContact C-O 3.1Å; S1261-S1301 WeakPolarHBondContact CA-O 3.46Å; S1261-S1301 WeakPolarHBondContact CB-O 2.76Å; S1261-S1301 WeakPolarHBondContact CB-OG 3.49Å | ||
| 1262 | M | 72.8 | Confident | 80.3 | Confident | 56 Ų | 56 | 31.6 Ų | 31.6 | 28% | 0.276 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 58.9 | 39.5 | 174.4 | -48.3 | 179.4 | 83.5 | 0 | 0 | 113 | A1107 G1223 S1301 Y1302 | A1107-M1262 HydrophobicContact CB-CE 3.39Å; G1223-M1262 WeakPolarHBondContact CA-O 3.28Å; G1223-M1262 PolarHBondContact N-O 3.49Å; M1262-S1301 PolarHBondContact N-O 3.22Å; M1262-Y1302 WeakPolarHBondContact CA-O 3.46Å; M1262-Y1302 HydrophobicContact CG-CD2 4.15Å |
| 1263 | N | 77.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -119.6 | -171.9 | 171.4 | -71.2 | -63.5 | 0 | 0 | 0 | 109.1 | L1221 N1224 S1225 L1226 L1260 S1261 F1265 N1303 | L1221-N1263 PolarHBondContact O-ND2 2.92Å; N1224-N1263 PolarHBondContact N-OD1 3.24Å; S1225-N1263 PolarHBondContact N-OD1 2.79Å; L1226-N1263 HydrophobicContact CB-CB 4.39Å; L1226-N1263 PolarHBondContact N-OD1 3.16Å; L1260-N1263 PolarHBondContact O-ND2 3.48Å; S1261-N1263 VanDerWaalsContact C-N 3.29Å; S1261-N1263 PolarHBondContact O-N 2.92Å; S1261-N1263 PolarHBondContact O-ND2 3.32Å; N1263-F1265 HydrophobicContact CB-CD2 3.59Å; N1263-F1265 HydrophobicContact CB-CE2 3.46Å; N1263-F1265 VanDerWaalsContact CB-CE2 3.46Å; N1263-F1265 HydrophobicContact CB-CG 4.38Å; N1263-F1265 HydrophobicContact CB-CZ 4.18Å; N1263-N1303 WeakPolarHBondContact CA-OD1 3.33Å; N1263-N1303 WeakPolarHBondContact CB-OD1 3.4Å; N1263-N1303 WeakPolarHBondContact O-CA 3.41Å; N1263-N1303 PolarHBondContact O-OD1 2.68Å |
| 1264 | L | 68.3 | Low | 80.5 | Confident | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.11 | 15% | 0.145 | C | C | . | . | trans | -118.9 | 39 | -179 | -61.7 | 175.9 | 0 | 0 | 0 | 110.8 | L1108 L1110 L1226 T1227 N1303 P1304 L1305 | L1108-L1264 HydrophobicContact CD2-CD1 4.1Å; L1110-L1264 HydrophobicContact CD1-CD2 4.21Å; L1110-L1264 HydrophobicContact CD2-CD1 3.48Å; L1110-L1264 VanDerWaalsContact CD2-CD1 3.48Å; L1110-L1264 HydrophobicContact CD2-CD2 3.58Å; L1110-L1264 HydrophobicContact CD2-CG 4.18Å; L1110-L1264 HydrophobicContact CG-CD2 4.08Å; L1226-L1264 CarbonylContact O-C 3.56Å; L1226-L1264 WeakPolarHBondContact O-CA 3.07Å; L1226-L1264 PolarHBondContact O-N 2.72Å; T1227-L1264 HydrophobicContact CG2-CB 3.83Å; T1227-L1264 HydrophobicContact CG2-CD1 3.93Å; T1227-L1264 HydrophobicContact CG2-CG 4.49Å; L1264-N1303 PolarHBondContact N-OD1 2.73Å; L1264-P1304 HydrophobicContact CD2-CG 4.07Å; L1264-L1305 HydrophobicContact CB-CD1 4.26Å | ||
| 1265 | F | 73.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -70.8 | 134.8 | 174.8 | -59.9 | -57.4 | 0 | 0 | 0 | 110.1 | L1226 L1244 L1260 N1263 F1269 F1270 N1303 | L1226-F1265 HydrophobicContact CB-CE1 3.66Å; L1226-F1265 HydrophobicContact CB-CE2 4.27Å; L1226-F1265 HydrophobicContact CB-CZ 3.41Å; L1226-F1265 VanDerWaalsContact CB-CZ 3.41Å; L1226-F1265 HydrophobicContact CD1-CZ 3.89Å; L1226-F1265 HydrophobicContact CG-CZ 4.27Å; L1244-F1265 HydrophobicContact CD2-CZ 4.45Å; L1260-F1265 HydrophobicContact CB-CD2 4.18Å; L1260-F1265 HydrophobicContact CB-CE2 3.84Å; L1260-F1265 HydrophobicContact CD1-CE2 4.39Å; L1260-F1265 HydrophobicContact CD2-CE2 4.05Å; L1260-F1265 HydrophobicContact CD2-CZ 4.43Å; L1260-F1265 HydrophobicContact CG-CE2 4.31Å; N1263-F1265 HydrophobicContact CB-CD2 3.59Å; N1263-F1265 HydrophobicContact CB-CE2 3.46Å; N1263-F1265 VanDerWaalsContact CB-CE2 3.46Å; N1263-F1265 HydrophobicContact CB-CG 4.38Å; N1263-F1265 HydrophobicContact CB-CZ 4.18Å; F1265-F1269 HydrophobicContact CB-CB 4.39Å; F1265-F1269 HydrophobicContact CB-CD1 3.83Å; F1265-F1269 HydrophobicContact CB-CE1 4.46Å; F1265-F1269 HydrophobicContact CB-CG 4.25Å; F1265-F1269 HydrophobicContact CD1-CB 4.19Å; F1265-F1269 AromaticContact CD1-CD1 3.41Å; F1265-F1269 HydrophobicContact CD1-CD1 3.41Å; F1265-F1269 VanDerWaalsContact CD1-CD1 3.41Å; F1265-F1269 AromaticContact CD1-CD2 3.65Å; F1265-F1269 HydrophobicContact CD1-CD2 3.65Å; F1265-F1269 AromaticContact CD1-CE1 3.57Å; F1265-F1269 HydrophobicContact CD1-CE1 3.57Å; F1265-F1269 AromaticContact CD1-CE2 3.8Å; F1265-F1269 HydrophobicContact CD1-CE2 3.8Å; F1265-F1269 AromaticContact CD1-CG 3.46Å; F1265-F1269 HydrophobicContact CD1-CG 3.46Å; F1265-F1269 VanDerWaalsContact CD1-CG 3.46Å; F1265-F1269 AromaticContact CD1-CZ 3.76Å; F1265-F1269 HydrophobicContact CD1-CZ 3.76Å; F1265-F1269 HydrophobicContact CD2-CE1 4.37Å; F1265-F1269 HydrophobicContact CE1-CD1 4.06Å; F1265-F1269 AromaticContact CE1-CD2 3.87Å; F1265-F1269 HydrophobicContact CE1-CD2 3.87Å; F1265-F1269 AromaticContact CE1-CE1 3.76Å; F1265-F1269 HydrophobicContact CE1-CE1 3.76Å; F1265-F1269 AromaticContact CE1-CE2 3.55Å; F1265-F1269 HydrophobicContact CE1-CE2 3.55Å; F1265-F1269 HydrophobicContact CE1-CG 4.11Å; F1265-F1269 AromaticContact CE1-CZ 3.5Å; F1265-F1269 HydrophobicContact CE1-CZ 3.5Å; F1265-F1269 VanDerWaalsContact CE1-CZ 3.5Å; F1265-F1269 AromaticContact CG-CD1 3.69Å; F1265-F1269 HydrophobicContact CG-CD1 3.69Å; F1265-F1269 AromaticContact CG-CE1 3.88Å; F1265-F1269 HydrophobicContact CG-CE1 3.88Å; F1265-F1269 HydrophobicContact CG-CG 4.13Å; F1265-F1269 HydrophobicContact CG-CZ 4.47Å; F1265-F1269 HydrophobicContact CZ-CE1 4.24Å; F1265-F1269 HydrophobicContact CZ-CE2 4.43Å; F1265-F1269 HydrophobicContact CZ-CZ 4.01Å; F1265-F1270 HydrophobicContact CB-CD2 4.36Å; F1265-F1270 HydrophobicContact CB-CE2 3.75Å; F1265-F1270 HydrophobicContact CG-CE2 4.33Å; F1265-N1303 WeakPolarHBondContact CB-OD1 3.18Å; F1265-N1303 VanDerWaalsContact CD2-OD1 3.3Å; F1265-N1303 WeakPolarHBondContact CD2-OD1 3.37Å; F1265-N1303 PolarHBondContact N-OD1 2.97Å | ||
| 1266 | D | 68.8 | Low | 79.7 | Confident | 27 Ų | 27 | 28.2 Ų | 28.2 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | trans | -104.5 | -178.8 | 171.7 | 72.8 | 5.6 | 0 | 0 | 0 | 111 | T1228 Q1268 F1269 L1305 | T1228-D1266 HydrophobicContact CG2-CB 4.1Å; T1228-D1266 WeakPolarHBondContact CG2-OD1 3.47Å; T1228-D1266 WeakPolarHBondContact CG2-OD2 3.28Å; D1266-Q1268 PolarHBondContact O-N 3.48Å; D1266-Q1268 VanDerWaalsContact OD1-CA 3.29Å; D1266-Q1268 WeakPolarHBondContact OD1-CA 3.48Å; D1266-Q1268 VanDerWaalsContact OD1-CB 3.24Å; D1266-Q1268 WeakPolarHBondContact OD1-CB 3.46Å; D1266-Q1268 PolarHBondContact OD1-N 2.99Å; D1266-F1269 PolarHBondContact O-N 3.4Å; D1266-F1269 PolarHBondContact OD1-N 3.49Å; D1266-L1305 HydrophobicContact CB-CB 3.87Å | ||
| 1267 | D | 70.8 | Confident | 79 | Confident | 29 Ų | 29 | 25.7 Ų | 25.7 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -28.7 | 175.7 | -75.7 | -21.5 | 0 | 0 | 0 | 113.1 | S1271 | D1267-S1271 WeakPolarHBondContact O-CB 3.47Å; D1267-S1271 PolarHBondContact O-N 2.84Å; D1267-S1271 PolarHBondContact O-OG 3.37Å |
| 1268 | Q | 70.8 | Confident | 78.1 | Confident | 72 Ų | 72 | 22.3 Ų | 22.3 | 34% | 0.336 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -73.3 | -39.1 | -178.7 | -170.3 | 65.1 | 10.7 | 0 | 0 | 111.6 | D1266 S1271 R1272 | D1266-Q1268 PolarHBondContact O-N 3.48Å; D1266-Q1268 VanDerWaalsContact OD1-CA 3.29Å; D1266-Q1268 WeakPolarHBondContact OD1-CA 3.48Å; D1266-Q1268 VanDerWaalsContact OD1-CB 3.24Å; D1266-Q1268 WeakPolarHBondContact OD1-CB 3.46Å; D1266-Q1268 PolarHBondContact OD1-N 2.99Å; Q1268-S1271 PolarHBondContact O-N 3.17Å; Q1268-R1272 WeakPolarHBondContact O-CB 3.39Å; Q1268-R1272 WeakPolarHBondContact O-CG 3.48Å; Q1268-R1272 PolarHBondContact O-N 3.33Å |
| 1269 | F | 77.8 | Confident | 77.1 | Confident | 12 Ų | 12 | 29 Ų | 29 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.9 | -50.1 | 172.2 | 169.5 | -95.2 | 0 | 0 | 0 | 110.8 | T1228 F1265 D1266 S1271 R1272 F1273 | T1228-F1269 HydrophobicContact CG2-CB 3.75Å; F1265-F1269 HydrophobicContact CB-CB 4.39Å; F1265-F1269 HydrophobicContact CB-CD1 3.83Å; F1265-F1269 HydrophobicContact CB-CE1 4.46Å; F1265-F1269 HydrophobicContact CB-CG 4.25Å; F1265-F1269 HydrophobicContact CD1-CB 4.19Å; F1265-F1269 AromaticContact CD1-CD1 3.41Å; F1265-F1269 HydrophobicContact CD1-CD1 3.41Å; F1265-F1269 VanDerWaalsContact CD1-CD1 3.41Å; F1265-F1269 AromaticContact CD1-CD2 3.65Å; F1265-F1269 HydrophobicContact CD1-CD2 3.65Å; F1265-F1269 AromaticContact CD1-CE1 3.57Å; F1265-F1269 HydrophobicContact CD1-CE1 3.57Å; F1265-F1269 AromaticContact CD1-CE2 3.8Å; F1265-F1269 HydrophobicContact CD1-CE2 3.8Å; F1265-F1269 AromaticContact CD1-CG 3.46Å; F1265-F1269 HydrophobicContact CD1-CG 3.46Å; F1265-F1269 VanDerWaalsContact CD1-CG 3.46Å; F1265-F1269 AromaticContact CD1-CZ 3.76Å; F1265-F1269 HydrophobicContact CD1-CZ 3.76Å; F1265-F1269 HydrophobicContact CD2-CE1 4.37Å; F1265-F1269 HydrophobicContact CE1-CD1 4.06Å; F1265-F1269 AromaticContact CE1-CD2 3.87Å; F1265-F1269 HydrophobicContact CE1-CD2 3.87Å; F1265-F1269 AromaticContact CE1-CE1 3.76Å; F1265-F1269 HydrophobicContact CE1-CE1 3.76Å; F1265-F1269 AromaticContact CE1-CE2 3.55Å; F1265-F1269 HydrophobicContact CE1-CE2 3.55Å; F1265-F1269 HydrophobicContact CE1-CG 4.11Å; F1265-F1269 AromaticContact CE1-CZ 3.5Å; F1265-F1269 HydrophobicContact CE1-CZ 3.5Å; F1265-F1269 VanDerWaalsContact CE1-CZ 3.5Å; F1265-F1269 AromaticContact CG-CD1 3.69Å; F1265-F1269 HydrophobicContact CG-CD1 3.69Å; F1265-F1269 AromaticContact CG-CE1 3.88Å; F1265-F1269 HydrophobicContact CG-CE1 3.88Å; F1265-F1269 HydrophobicContact CG-CG 4.13Å; F1265-F1269 HydrophobicContact CG-CZ 4.47Å; F1265-F1269 HydrophobicContact CZ-CE1 4.24Å; F1265-F1269 HydrophobicContact CZ-CE2 4.43Å; F1265-F1269 HydrophobicContact CZ-CZ 4.01Å; D1266-F1269 PolarHBondContact O-N 3.4Å; D1266-F1269 PolarHBondContact OD1-N 3.49Å; F1269-S1271 PolarHBondContact O-N 3.01Å; F1269-R1272 PolarHBondContact O-N 3.22Å; F1269-F1273 WeakPolarHBondContact O-CB 3.5Å; F1269-F1273 PolarHBondContact O-N 3.3Å |
| 1270 | F | 78 | Confident | 76.1 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.4 | -36.4 | -179.1 | -82 | -79.7 | 0 | 0 | 0 | 112.5 | L1260 F1265 R1272 F1273 L1274 L1300 L1306 F1336 I1340 | L1260-F1270 HydrophobicContact CD1-CE1 4.06Å; L1260-F1270 HydrophobicContact CD1-CZ 3.77Å; F1265-F1270 HydrophobicContact CB-CD2 4.36Å; F1265-F1270 HydrophobicContact CB-CE2 3.75Å; F1265-F1270 HydrophobicContact CG-CE2 4.33Å; F1270-R1272 VanDerWaalsContact C-N 3.33Å; F1270-R1272 PolarHBondContact O-N 3.39Å; F1270-F1273 HydrophobicContact CD1-CD1 4.33Å; F1270-F1273 PolarHBondContact O-N 3.36Å; F1270-L1274 WeakPolarHBondContact O-CB 3.4Å; F1270-L1274 VanDerWaalsContact O-CG 3.25Å; F1270-L1274 WeakPolarHBondContact O-CG 3.23Å; F1270-L1274 PolarHBondContact O-N 2.83Å; F1270-L1300 HydrophobicContact CE1-CD1 3.98Å; F1270-L1300 HydrophobicContact CE1-CD2 3.94Å; F1270-L1300 HydrophobicContact CE2-CD1 3.96Å; F1270-L1300 HydrophobicContact CE2-CD2 4.2Å; F1270-L1300 HydrophobicContact CZ-CD1 3.62Å; F1270-L1300 HydrophobicContact CZ-CD2 3.34Å; F1270-L1300 HydrophobicContact CZ-CG 4.11Å; F1270-L1306 HydrophobicContact CD2-CD2 3.58Å; F1270-L1306 HydrophobicContact CE2-CD2 3.81Å; F1270-F1336 HydrophobicContact CB-CE2 3.69Å; F1270-F1336 HydrophobicContact CB-CZ 4.23Å; F1270-F1336 HydrophobicContact CD1-CZ 4.41Å; F1270-F1336 HydrophobicContact CD2-CE2 4.44Å; F1270-F1336 HydrophobicContact CD2-CZ 4.23Å; F1270-F1336 AromaticContact CG-CE2 3.99Å; F1270-F1336 HydrophobicContact CG-CE2 3.99Å; F1270-F1336 HydrophobicContact CG-CZ 4.01Å; F1270-I1340 HydrophobicContact CD1-CD1 4.33Å |
| 1271 | S | 73.8 | Confident | 75.1 | Confident | 58 Ų | 58 | 32.5 Ų | 32.5 | 41% | 0.406 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.3 | -46 | 173.1 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | D1267 Q1268 F1269 L1274 C1275 | D1267-S1271 WeakPolarHBondContact O-CB 3.47Å; D1267-S1271 PolarHBondContact O-N 2.84Å; D1267-S1271 PolarHBondContact O-OG 3.37Å; Q1268-S1271 PolarHBondContact O-N 3.17Å; F1269-S1271 PolarHBondContact O-N 3.01Å; S1271-L1274 PolarHBondContact O-N 3.36Å; S1271-C1275 WeakPolarHBondContact O-CB 3.47Å; S1271-C1275 PolarHBondContact O-N 3.34Å; S1271-C1275 PolarHBondContact O-SG 3.11Å; S1271-C1275 VanDerWaalsContact O-SG 3.39Å |
| 1272 | R | 75.6 | Confident | 74.6 | Confident | 87 Ų | 87 | 38.1 Ų | 38.1 | 33% | 0.328 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.2 | -43 | 174.4 | -72.2 | 174.2 | 178.3 | 161.1 | 2.5 | 112.2 | T1228 Q1268 F1269 F1270 C1275 A1276 | T1228-R1272 PolarHBondContact O-NH1 3.31Å; T1228-R1272 VanDerWaalsContact O-NH1 3.16Å; Q1268-R1272 WeakPolarHBondContact O-CB 3.39Å; Q1268-R1272 WeakPolarHBondContact O-CG 3.48Å; Q1268-R1272 PolarHBondContact O-N 3.33Å; F1269-R1272 PolarHBondContact O-N 3.22Å; F1270-R1272 VanDerWaalsContact C-N 3.33Å; F1270-R1272 PolarHBondContact O-N 3.39Å; R1272-C1275 PolarHBondContact O-N 3.44Å; R1272-A1276 WeakPolarHBondContact O-CB 3.37Å; R1272-A1276 PolarHBondContact O-N 2.87Å |
| 1273 | F | 82.5 | Confident | 74.1 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 178.4 | 179.3 | -120.7 | 0 | 0 | 0 | 111.7 | T1245 L1248 F1269 F1270 A1276 L1277 M1292 F1344 | T1245-F1273 HydrophobicContact CG2-CD2 4.16Å; L1248-F1273 HydrophobicContact CB-CD2 4.49Å; L1248-F1273 HydrophobicContact CB-CE2 3.56Å; L1248-F1273 HydrophobicContact CB-CZ 4.14Å; L1248-F1273 HydrophobicContact CD1-CE2 4.13Å; F1269-F1273 WeakPolarHBondContact O-CB 3.5Å; F1269-F1273 PolarHBondContact O-N 3.3Å; F1270-F1273 HydrophobicContact CD1-CD1 4.33Å; F1270-F1273 PolarHBondContact O-N 3.36Å; F1273-A1276 PolarHBondContact O-N 3.45Å; F1273-L1277 HydrophobicContact CD1-CD1 4.05Å; F1273-L1277 HydrophobicContact CD2-CD1 4.44Å; F1273-L1277 HydrophobicContact CE1-CD1 3.64Å; F1273-L1277 HydrophobicContact CE2-CD1 4.03Å; F1273-L1277 HydrophobicContact CE2-CG 4.19Å; F1273-L1277 HydrophobicContact CG-CD1 4.44Å; F1273-L1277 HydrophobicContact CZ-CD1 3.62Å; F1273-L1277 HydrophobicContact CZ-CG 4.25Å; F1273-L1277 WeakPolarHBondContact O-CB 3.38Å; F1273-L1277 WeakPolarHBondContact O-CG 3.08Å; F1273-L1277 PolarHBondContact O-N 3.25Å; F1273-M1292 HydrophobicContact CE1-SD 4.36Å; F1273-M1292 HydrophobicContact CZ-SD 4.06Å; F1273-F1344 HydrophobicContact CE1-CZ 4.23Å |
| 1274 | L | 81.4 | Confident | 73.1 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 175.6 | -65.8 | 175 | 0 | 0 | 0 | 112 | F1270 S1271 L1277 S1278 L1291 T1339 I1340 A1343 F1344 | F1270-L1274 WeakPolarHBondContact O-CB 3.4Å; F1270-L1274 VanDerWaalsContact O-CG 3.25Å; F1270-L1274 WeakPolarHBondContact O-CG 3.23Å; F1270-L1274 PolarHBondContact O-N 2.83Å; S1271-L1274 PolarHBondContact O-N 3.36Å; L1274-L1277 PolarHBondContact O-N 3.29Å; L1274-S1278 WeakPolarHBondContact O-CB 2.95Å; L1274-S1278 PolarHBondContact O-N 3.02Å; L1274-L1291 HydrophobicContact CB-CD1 4.16Å; L1274-L1291 HydrophobicContact CD2-CD1 3.85Å; L1274-L1291 WeakPolarHBondContact O-CD1 3.15Å; L1274-T1339 HydrophobicContact CD1-CG2 3.83Å; L1274-I1340 HydrophobicContact CD1-CD1 4.23Å; L1274-A1343 HydrophobicContact CD2-CB 3.64Å; L1274-F1344 HydrophobicContact CD2-CE1 4.19Å; L1274-F1344 HydrophobicContact CD2-CE2 4.43Å; L1274-F1344 HydrophobicContact CD2-CZ 3.71Å |
| 1275 | C | 79 | Confident | 72.3 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 14% | 0.142 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 174.6 | -79.8 | 0 | 0 | 0 | 0 | 112.1 | S1271 R1272 S1278 K1279 | S1271-C1275 WeakPolarHBondContact O-CB 3.47Å; S1271-C1275 PolarHBondContact O-N 3.34Å; S1271-C1275 PolarHBondContact O-SG 3.11Å; S1271-C1275 VanDerWaalsContact O-SG 3.39Å; R1272-C1275 PolarHBondContact O-N 3.44Å; C1275-S1278 PolarHBondContact O-N 2.81Å; C1275-K1279 WeakPolarHBondContact O-CG 3.29Å; C1275-K1279 PolarHBondContact O-N 2.83Å |
| 1276 | A | 77.7 | Confident | 71.3 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1245 R1272 F1273 S1278 K1279 R1280 | T1245-A1276 HydrophobicContact CG2-CB 3.18Å; R1272-A1276 WeakPolarHBondContact O-CB 3.37Å; R1272-A1276 PolarHBondContact O-N 2.87Å; F1273-A1276 PolarHBondContact O-N 3.45Å; A1276-S1278 VanDerWaalsContact C-N 3.35Å; A1276-S1278 PolarHBondContact O-N 3.02Å; A1276-K1279 PolarHBondContact O-N 3.39Å; A1276-R1280 PolarHBondContact O-N 2.97Å |
| 1277 | L | 79.2 | Confident | 70.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58 | -48.5 | 170.4 | -75.1 | 169.6 | 0 | 0 | 0 | 110.4 | C1249 F1273 L1274 K1279 R1280 F1281 L1291 M1292 F1344 | C1249-L1277 HydrophobicContact CB-CD2 4.14Å; C1249-L1277 VanDerWaalsContact SG-CD2 3.59Å; F1273-L1277 HydrophobicContact CD1-CD1 4.05Å; F1273-L1277 HydrophobicContact CD2-CD1 4.44Å; F1273-L1277 HydrophobicContact CE1-CD1 3.64Å; F1273-L1277 HydrophobicContact CE2-CD1 4.03Å; F1273-L1277 HydrophobicContact CE2-CG 4.19Å; F1273-L1277 HydrophobicContact CG-CD1 4.44Å; F1273-L1277 HydrophobicContact CZ-CD1 3.62Å; F1273-L1277 HydrophobicContact CZ-CG 4.25Å; F1273-L1277 WeakPolarHBondContact O-CB 3.38Å; F1273-L1277 WeakPolarHBondContact O-CG 3.08Å; F1273-L1277 PolarHBondContact O-N 3.25Å; L1274-L1277 PolarHBondContact O-N 3.29Å; L1277-K1279 VanDerWaalsContact C-N 3.31Å; L1277-K1279 PolarHBondContact O-N 3.21Å; L1277-R1280 WeakPolarHBondContact O-CB 2.89Å; L1277-R1280 PolarHBondContact O-N 3.41Å; L1277-R1280 VanDerWaalsContact O-N 3.08Å; L1277-F1281 HydrophobicContact CD2-CE2 4.1Å; L1277-F1281 VanDerWaalsContact O-CD2 3.28Å; L1277-F1281 WeakPolarHBondContact O-CD2 3.3Å; L1277-F1281 PolarHBondContact O-N 2.98Å; L1277-L1291 HydrophobicContact CB-CB 3.97Å; L1277-L1291 HydrophobicContact CB-CD1 3.96Å; L1277-L1291 HydrophobicContact CB-CD2 4.28Å; L1277-L1291 HydrophobicContact CB-CG 4.3Å; L1277-L1291 HydrophobicContact CD1-CB 4.15Å; L1277-M1292 HydrophobicContact CD1-CG 4Å; L1277-M1292 HydrophobicContact CD1-SD 4.04Å; L1277-M1292 HydrophobicContact CD2-CG 4.16Å; L1277-M1292 HydrophobicContact CD2-SD 4.49Å; L1277-F1344 HydrophobicContact CD1-CE1 4.11Å; L1277-F1344 HydrophobicContact CD1-CZ 4.31Å |
| 1278 | S | 77.1 | Confident | 69.9 | Low | 11 Ų | 11 | 67.3 Ų | 67.3 | 8% | 0.077 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 179.1 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | L1274 C1275 A1276 F1281 K1282 L1291 | L1274-S1278 WeakPolarHBondContact O-CB 2.95Å; L1274-S1278 PolarHBondContact O-N 3.02Å; C1275-S1278 PolarHBondContact O-N 2.81Å; A1276-S1278 VanDerWaalsContact C-N 3.35Å; A1276-S1278 PolarHBondContact O-N 3.02Å; S1278-F1281 PolarHBondContact O-N 3.46Å; S1278-K1282 VanDerWaalsContact O-CB 3.3Å; S1278-K1282 WeakPolarHBondContact O-CB 3.35Å; S1278-K1282 VanDerWaalsContact O-CG 3.23Å; S1278-K1282 WeakPolarHBondContact O-CG 3.26Å; S1278-K1282 PolarHBondContact O-N 2.86Å; S1278-K1282 WeakPolarHBondContact OG-CE 3.21Å; S1278-L1291 VanDerWaalsContact CA-CD2 3.5Å |
| 1279 | K | 74.2 | Confident | 69.5 | Low | 145 Ų | 145 | 67.1 Ų | 67.1 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.2 | -47.1 | 174.8 | -74.3 | 173.7 | -176.6 | 175.8 | 0 | 111.4 | C1275 A1276 L1277 K1282 | C1275-K1279 WeakPolarHBondContact O-CG 3.29Å; C1275-K1279 PolarHBondContact O-N 2.83Å; A1276-K1279 PolarHBondContact O-N 3.39Å; L1277-K1279 VanDerWaalsContact C-N 3.31Å; L1277-K1279 PolarHBondContact O-N 3.21Å; K1279-K1282 PolarHBondContact O-N 3.1Å |
| 1280 | R | 70.7 | Confident | 69.1 | Low | 81 Ų | 81 | 68.6 Ų | 68.6 | 31% | 0.306 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 179.1 | -175.5 | 177.6 | 175.9 | 89.5 | 3.4 | 112.7 | C1249 A1276 L1277 | C1249-R1280 WeakPolarHBondContact O-CD 3.47Å; C1249-R1280 PolarHBondContact O-NE 3.32Å; A1276-R1280 PolarHBondContact O-N 2.97Å; L1277-R1280 WeakPolarHBondContact O-CB 2.89Å; L1277-R1280 PolarHBondContact O-N 3.41Å; L1277-R1280 VanDerWaalsContact O-N 3.08Å |
| 1281 | F | 68.7 | Low | 69.2 | Low | 19 Ų | 19 | 68.7 Ų | 68.7 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -78.3 | -28 | -178.8 | -81.3 | -90 | 0 | 0 | 0 | 113.4 | S1252 L1253 L1277 S1278 E1283 E1284 D1285 L1291 | S1252-F1281 WeakPolarHBondContact OG-CE2 3.4Å; L1253-F1281 HydrophobicContact CD2-CE1 3.39Å; L1253-F1281 HydrophobicContact CD2-CZ 3.59Å; L1253-F1281 HydrophobicContact CG-CE1 4.3Å; L1253-F1281 HydrophobicContact CG-CZ 4.04Å; L1277-F1281 HydrophobicContact CD2-CE2 4.1Å; L1277-F1281 VanDerWaalsContact O-CD2 3.28Å; L1277-F1281 WeakPolarHBondContact O-CD2 3.3Å; L1277-F1281 PolarHBondContact O-N 2.98Å; S1278-F1281 PolarHBondContact O-N 3.46Å; F1281-E1283 PolarHBondContact O-N 3.47Å; F1281-E1284 PolarHBondContact O-N 3.44Å; F1281-D1285 PolarHBondContact O-N 3.4Å; F1281-L1291 HydrophobicContact CB-CD2 4.44Å; F1281-L1291 WeakPolarHBondContact CD2-O 3.36Å; F1281-L1291 WeakPolarHBondContact CE2-O 3.26Å; F1281-L1291 WeakPolarHBondContact CZ-O 3.31Å |
| 1282 | K | 68.4 | Low | 69.7 | Low | 126 Ų | 126 | 66 Ų | 66 | 55% | 0.548 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.2 | -23.8 | 173.1 | -81.1 | 174.4 | 178.9 | 171.1 | 0 | 113.4 | S1278 K1279 E1284 | S1278-K1282 VanDerWaalsContact O-CB 3.3Å; S1278-K1282 WeakPolarHBondContact O-CB 3.35Å; S1278-K1282 VanDerWaalsContact O-CG 3.23Å; S1278-K1282 WeakPolarHBondContact O-CG 3.26Å; S1278-K1282 PolarHBondContact O-N 2.86Å; S1278-K1282 WeakPolarHBondContact OG-CE 3.21Å; K1279-K1282 PolarHBondContact O-N 3.1Å; K1282-E1284 VanDerWaalsContact C-N 3.33Å |
| 1283 | E | 61.3 | Low | 69.7 | Low | 175 Ų | 175 | 63.7 Ų | 63.7 | 82% | 0.818 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72.5 | -27.7 | 171.9 | -69.6 | -179.7 | 173.4 | 0 | 0 | 112.1 | F1281 | F1281-E1283 PolarHBondContact O-N 3.47Å |
| 1284 | E | 57.2 | Low | 69.9 | Low | 118 Ų | 118 | 68.9 Ų | 68.9 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -100.4 | -31.9 | -175.6 | -68.8 | -173.8 | 168.9 | 0 | 0 | 113.9 | F1281 K1282 | F1281-E1284 PolarHBondContact O-N 3.44Å; K1282-E1284 VanDerWaalsContact C-N 3.33Å |
| 1285 | D | 50.7 | Low | 70.5 | Confident | 114 Ų | 114 | 68.5 Ų | 68.5 | 61% | 0.61 | 35% | 0.349 | S | S | * | . | trans | -148.5 | 112.4 | -178.5 | -116.2 | -29 | 0 | 0 | 0 | 112.4 | F1281 G1287 | F1281-D1285 PolarHBondContact O-N 3.4Å; D1285-G1287 PolarHBondContact O-N 3.14Å | ||
| 1286 | K | 52.9 | Low | 71.3 | Confident | 209 Ų | 209 | 71 Ų | 71 | 91% | 0.909 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 78.7 | 178.6 | -70.7 | -174.5 | -179.9 | 178.8 | 0 | 110.8 | ||
| 1287 | G | 55.5 | Low | 72.2 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 76% | 0.763 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 146.3 | 9.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | D1285 | D1285-G1287 PolarHBondContact O-N 3.14Š|
| 1288 | S | 55.7 | Low | 73 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | trans | -105.4 | 127.6 | 172.2 | 83.6 | 0 | 0 | 0 | 0 | 111.4 | V1290 | S1288-V1290 PolarHBondContact O-N 3.23Š| ||
| 1289 | D | 61.2 | Low | 73.8 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | trans | -75.5 | 6 | 174.1 | -62.6 | -50.6 | 0 | 0 | 0 | 112.9 | L1291 L1378 | D1289-L1291 PolarHBondContact O-N 3.17Å; D1289-L1378 WeakPolarHBondContact OD2-CD1 3.16Å; D1289-L1378 VanDerWaalsContact OD2-CD2 3.24Å; D1289-L1378 WeakPolarHBondContact OD2-CD2 3.39Å | ||
| 1290 | V | 70.1 | Confident | 74.7 | Confident | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | trans | -86 | 109 | -175.8 | 180 | 0 | 0 | 0 | 0 | 108.9 | S1288 P1293 P1345 | S1288-V1290 PolarHBondContact O-N 3.23Å; V1290-P1293 HydrophobicContact CG1-CB 3.79Å; V1290-P1345 HydrophobicContact CB-CG 4.32Å; V1290-P1345 HydrophobicContact CG1-CG 3.66Å; V1290-P1345 HydrophobicContact CG2-CG 3.78Å | ||
| 1291 | L | 79.6 | Confident | 75.2 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -95.5 | -30.3 | -173.4 | -62.4 | -174.5 | 0 | 0 | 0 | 113.3 | L1274 L1277 S1278 F1281 D1289 A1343 F1344 | L1274-L1291 HydrophobicContact CB-CD1 4.16Å; L1274-L1291 HydrophobicContact CD2-CD1 3.85Å; L1274-L1291 WeakPolarHBondContact O-CD1 3.15Å; L1277-L1291 HydrophobicContact CB-CB 3.97Å; L1277-L1291 HydrophobicContact CB-CD1 3.96Å; L1277-L1291 HydrophobicContact CB-CD2 4.28Å; L1277-L1291 HydrophobicContact CB-CG 4.3Å; L1277-L1291 HydrophobicContact CD1-CB 4.15Å; S1278-L1291 VanDerWaalsContact CA-CD2 3.5Å; F1281-L1291 HydrophobicContact CB-CD2 4.44Å; F1281-L1291 WeakPolarHBondContact CD2-O 3.36Å; F1281-L1291 WeakPolarHBondContact CE2-O 3.26Å; F1281-L1291 WeakPolarHBondContact CZ-O 3.31Å; D1289-L1291 PolarHBondContact O-N 3.17Å; L1291-A1343 HydrophobicContact CB-CB 4.34Å; L1291-A1343 HydrophobicContact CD1-CB 4.03Å; L1291-A1343 HydrophobicContact CG-CB 4.29Å; L1291-A1343 PolarHBondContact N-O 3.12Å; L1291-F1344 HydrophobicContact CB-CE1 4.22Å |
| 1292 | M | 83.9 | Confident | 75.7 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | trans | -135.4 | 87.2 | 173 | -64.7 | -174.8 | 62.8 | 0 | 0 | 109.7 | L1255 F1273 L1277 R1294 L1295 A1343 F1344 | L1255-M1292 HydrophobicContact CB-CE 3.63Å; L1255-M1292 HydrophobicContact CD2-CE 3.56Å; L1255-M1292 HydrophobicContact CG-CE 4.17Å; F1273-M1292 HydrophobicContact CE1-SD 4.36Å; F1273-M1292 HydrophobicContact CZ-SD 4.06Å; L1277-M1292 HydrophobicContact CD1-CG 4Å; L1277-M1292 HydrophobicContact CD1-SD 4.04Å; L1277-M1292 HydrophobicContact CD2-CG 4.16Å; L1277-M1292 HydrophobicContact CD2-SD 4.49Å; M1292-R1294 PolarHBondContact O-N 3.34Å; M1292-L1295 HydrophobicContact CB-CB 3.93Å; M1292-L1295 HydrophobicContact CE-CB 4.35Å; M1292-L1295 HydrophobicContact CE-CD1 4.28Å; M1292-L1295 HydrophobicContact CE-CD2 4.32Å; M1292-L1295 PolarHBondContact O-N 3.35Å; M1292-L1295 HydrophobicContact SD-CD2 4.24Å; M1292-A1343 PolarHBondContact N-O 3.36Å; M1292-F1344 HydrophobicContact CB-CD1 3.57Å; M1292-F1344 HydrophobicContact CB-CE1 3.75Å; M1292-F1344 HydrophobicContact CG-CD1 3.99Å; M1292-F1344 HydrophobicContact CG-CE1 3.6Å; M1292-F1344 HydrophobicContact SD-CD1 4.48Å; M1292-F1344 HydrophobicContact SD-CE1 3.85Å; M1292-F1344 HydrophobicContact SD-CZ 4.19Å | ||
| 1293 | P | 76.3 | Confident | 75.9 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 25% | 0.253 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -5.1 | -167.1 | 27.5 | -35.7 | 0 | 0 | 0 | 114.7 | V1290 K1346 | V1290-P1293 HydrophobicContact CG1-CB 3.79Å; P1293-K1346 WeakPolarHBondContact O-CD 3.47Å; P1293-K1346 WeakPolarHBondContact O-CE 3.45Å; P1293-K1346 PolarHBondContact O-NZ 3.18Å |
| 1294 | R | 87.5 | Confident | 76 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -8.9 | -179.5 | -63.7 | -163.6 | -178.3 | -176.6 | 5 | 114.4 | L1253 Q1254 L1255 N1256 M1292 Q1296 | L1253-R1294 VanDerWaalsContact O-CD 3.29Å; L1253-R1294 WeakPolarHBondContact O-CD 3.46Å; Q1254-R1294 VanDerWaalsContact OE1-CZ 3.27Å; L1255-R1294 CarbonylContact O-C 3.49Å; L1255-R1294 VanDerWaalsContact O-C 3.22Å; N1256-R1294 PolarHBondContact OD1-O 2.89Å; M1292-R1294 PolarHBondContact O-N 3.34Å; R1294-Q1296 PolarHBondContact O-N 3.02Å |
| 1295 | L | 93.3 | Very high | 76.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -67.7 | 120.5 | -175.6 | -170.1 | 68.6 | 0 | 0 | 0 | 110.3 | L1255 L1258 M1292 L1298 F1344 K1346 L1347 | L1255-L1295 HydrophobicContact CD2-CD1 4.3Å; L1255-L1295 HydrophobicContact CG-CD1 4.4Å; L1255-L1295 VanDerWaalsContact O-CA 3.27Å; L1255-L1295 WeakPolarHBondContact O-CA 3.24Å; L1255-L1295 PolarHBondContact O-N 3.46Å; L1255-L1295 VanDerWaalsContact O-N 3.14Å; L1258-L1295 HydrophobicContact CB-CD1 3.79Å; M1292-L1295 HydrophobicContact CB-CB 3.93Å; M1292-L1295 HydrophobicContact CE-CB 4.35Å; M1292-L1295 HydrophobicContact CE-CD1 4.28Å; M1292-L1295 HydrophobicContact CE-CD2 4.32Å; M1292-L1295 PolarHBondContact O-N 3.35Å; M1292-L1295 HydrophobicContact SD-CD2 4.24Å; L1295-L1298 HydrophobicContact CD2-CB 4.48Å; L1295-F1344 HydrophobicContact CD2-CB 4.45Å; L1295-F1344 HydrophobicContact CD2-CD1 4.33Å; L1295-F1344 HydrophobicContact CD2-CD2 3.78Å; L1295-F1344 HydrophobicContact CD2-CE2 4.1Å; L1295-F1344 HydrophobicContact CD2-CG 3.93Å; L1295-K1346 CarbonylContact O-C 3.46Å; L1295-L1347 HydrophobicContact CD2-CD1 4.46Å; L1295-L1347 HydrophobicContact CG-CD1 4.3Å; L1295-L1347 WeakPolarHBondContact O-CA 3.47Å; L1295-L1347 PolarHBondContact O-N 2.95Å | ||
| 1296 | Q | 95.3 | Very high | 77.3 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | trans | -112.9 | -28.7 | -178.3 | -70.1 | 178.2 | 5.6 | 0 | 0 | 113 | N1256 R1294 N1348 Y1349 | N1256-Q1296 PolarHBondContact O-N 3.16Å; R1294-Q1296 PolarHBondContact O-N 3.02Å; Q1296-N1348 PolarHBondContact O-N 3.4Å; Q1296-Y1349 PolarHBondContact O-N 2.98Å | ||
| 1297 | H | 96.9 | Very high | 77.6 | Confident | 64 Ų | 64 | 37 Ų | 37 | 30% | 0.296 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.9 | 179.6 | -56.8 | 68.1 | 0 | 0 | 0 | 110.1 | N1256 K1257 L1258 Y1349 | N1256-H1297 PolarHBondContact O-N 3.22Å; N1256-H1297 VanDerWaalsContact O-N 3.1Å; K1257-H1297 WeakPolarHBondContact CA-O 3.42Å; K1257-H1297 HydrophobicContact CB-CB 4.19Å; K1257-H1297 HydrophobicContact CD-CB 4.13Å; K1257-H1297 HydrophobicContact CG-CB 3.82Å; L1258-H1297 PolarHBondContact N-O 3.31Å; H1297-Y1349 HydrophobicContact CB-CD1 4.23Å; H1297-Y1349 AromaticContact CD2-CG 3.98Å |
| 1298 | L | 96.3 | Very high | 77.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 122.7 | 174.5 | -178.5 | 60.9 | 0 | 0 | 0 | 108.7 | L1258 L1295 L1300 I1340 F1344 L1347 Y1349 F1350 N1351 | L1258-L1298 HydrophobicContact CB-CD1 4.06Å; L1258-L1298 HydrophobicContact CD2-CD1 4.04Å; L1258-L1298 HydrophobicContact CG-CD1 4.08Å; L1258-L1298 WeakPolarHBondContact O-CA 3.41Å; L1295-L1298 HydrophobicContact CD2-CB 4.48Å; L1298-L1300 HydrophobicContact CD1-CD2 3.79Å; L1298-L1300 HydrophobicContact CD1-CG 4.34Å; L1298-L1300 HydrophobicContact CD2-CD1 4.33Å; L1298-L1300 HydrophobicContact CD2-CG 4.39Å; L1298-L1300 HydrophobicContact CG-CD2 4.08Å; L1298-L1300 HydrophobicContact CG-CG 4.07Å; L1298-I1340 HydrophobicContact CD2-CG2 3.87Å; L1298-F1344 HydrophobicContact CD2-CD2 4.21Å; L1298-F1344 HydrophobicContact CD2-CE2 4.12Å; L1298-L1347 HydrophobicContact CB-CD1 3.56Å; L1298-L1347 HydrophobicContact CB-CD2 4.26Å; L1298-Y1349 PolarHBondContact N-O 3.41Å; L1298-F1350 HydrophobicContact CB-CD2 4.12Å; L1298-F1350 HydrophobicContact CB-CE2 4.49Å; L1298-F1350 HydrophobicContact CD2-CD2 4.11Å; L1298-F1350 HydrophobicContact CD2-CE2 3.69Å; L1298-F1350 HydrophobicContact CD2-CZ 4.35Å; L1298-F1350 HydrophobicContact CG-CD2 4.13Å; L1298-F1350 HydrophobicContact CG-CE2 4.01Å; L1298-F1350 WeakPolarHBondContact O-CA 3.37Å; L1298-N1351 PolarHBondContact O-N 3.33Å; L1298-N1351 VanDerWaalsContact O-N 3.1Å |
| 1299 | N | 94.1 | Very high | 77.2 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.4 | 176.1 | -175.7 | 9.8 | 0 | 0 | 0 | 110.2 | L1258 N1259 L1260 S1261 S1301 N1351 | L1258-N1299 PolarHBondContact O-N 3.19Å; N1259-N1299 HydrophobicContact CB-CB 4.43Å; N1259-N1299 WeakPolarHBondContact OD1-CB 3.02Å; N1259-N1299 PolarHBondContact OD1-ND2 3.37Å; L1260-N1299 CarbonylContact C-O 3.46Å; L1260-N1299 WeakPolarHBondContact CA-O 3.31Å; L1260-N1299 PolarHBondContact N-O 2.97Å; S1261-N1299 PolarHBondContact N-O 3.22Å; N1299-S1301 WeakPolarHBondContact OD1-CB 3.29Å; N1299-S1301 PolarHBondContact OD1-N 2.99Å; N1299-S1301 PolarHBondContact OD1-OG 3.42Å; N1299-S1301 VanDerWaalsContact OD1-OG 3.04Å; N1299-N1351 WeakPolarHBondContact OD1-CB 3.36Å |
| 1300 | L | 92.2 | Very high | 76 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -119 | 13 | 176.1 | -49.3 | -177.6 | 0 | 0 | 0 | 112 | L1260 F1270 L1298 N1303 L1306 F1336 F1350 N1351 L1352 C1355 | L1260-L1300 HydrophobicContact CB-CD2 3.72Å; L1260-L1300 HydrophobicContact CD1-CD2 3.93Å; L1260-L1300 HydrophobicContact CG-CD2 4.28Å; F1270-L1300 HydrophobicContact CE1-CD1 3.98Å; F1270-L1300 HydrophobicContact CE1-CD2 3.94Å; F1270-L1300 HydrophobicContact CE2-CD1 3.96Å; F1270-L1300 HydrophobicContact CE2-CD2 4.2Å; F1270-L1300 HydrophobicContact CZ-CD1 3.62Å; F1270-L1300 HydrophobicContact CZ-CD2 3.34Å; F1270-L1300 HydrophobicContact CZ-CG 4.11Å; L1298-L1300 HydrophobicContact CD1-CD2 3.79Å; L1298-L1300 HydrophobicContact CD1-CG 4.34Å; L1298-L1300 HydrophobicContact CD2-CD1 4.33Å; L1298-L1300 HydrophobicContact CD2-CG 4.39Å; L1298-L1300 HydrophobicContact CG-CD2 4.08Å; L1298-L1300 HydrophobicContact CG-CG 4.07Å; L1300-N1303 PolarHBondContact O-N 2.91Å; L1300-N1303 PolarHBondContact O-ND2 3.04Å; L1300-L1306 HydrophobicContact CB-CD1 3.9Å; L1300-L1306 HydrophobicContact CD1-CD1 4.08Å; L1300-F1336 HydrophobicContact CD1-CE1 4.25Å; L1300-F1336 HydrophobicContact CD1-CZ 4.11Å; L1300-F1350 HydrophobicContact CD1-CE2 3.84Å; L1300-F1350 HydrophobicContact CD1-CZ 4.22Å; L1300-F1350 HydrophobicContact CG-CE2 4.05Å; L1300-N1351 CarbonylContact C-O 2.94Å; L1300-N1351 PolarHBondContact N-O 2.71Å; L1300-L1352 HydrophobicContact CB-CD2 3.97Å; L1300-L1352 HydrophobicContact CD1-CD2 4.05Å; L1300-L1352 HydrophobicContact CG-CD2 4.39Å; L1300-C1355 PolarHBondContact O-SG 3.17Å | ||
| 1301 | S | 82.7 | Confident | 74.6 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 143.6 | -175.8 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | S1261 M1262 N1299 N1303 N1351 A1353 | S1261-S1301 CarbonylContact C-O 3.1Å; S1261-S1301 WeakPolarHBondContact CA-O 3.46Å; S1261-S1301 WeakPolarHBondContact CB-O 2.76Å; S1261-S1301 WeakPolarHBondContact CB-OG 3.49Å; M1262-S1301 PolarHBondContact N-O 3.22Å; N1299-S1301 WeakPolarHBondContact OD1-CB 3.29Å; N1299-S1301 PolarHBondContact OD1-N 2.99Å; N1299-S1301 PolarHBondContact OD1-OG 3.42Å; N1299-S1301 VanDerWaalsContact OD1-OG 3.04Å; S1301-N1303 VanDerWaalsContact C-N 3.32Å; S1301-N1303 PolarHBondContact O-N 3.36Å; S1301-N1351 WeakPolarHBondContact CB-OD1 3.3Å; S1301-N1351 PolarHBondContact N-O 3.09Å; S1301-A1353 CarbonylContact C-O 3.59Å; S1301-A1353 VanDerWaalsContact CA-O 3.23Å; S1301-A1353 WeakPolarHBondContact CA-O 3.37Å; S1301-A1353 WeakPolarHBondContact CB-O 3.47Å |
| 1302 | Y | 78.1 | Confident | 72.5 | Confident | 110 Ų | 110 | 52.1 Ų | 52.1 | 43% | 0.431 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 38.1 | 178.5 | -47.8 | -74.3 | 0 | 0 | 0 | 113.6 | M1262 P1304 A1353 | M1262-Y1302 WeakPolarHBondContact CA-O 3.46Å; M1262-Y1302 HydrophobicContact CG-CD2 4.15Å; Y1302-P1304 VanDerWaalsContact O-CD 3.29Å; Y1302-P1304 WeakPolarHBondContact O-CD 3.43Å; Y1302-A1353 PolarHBondContact N-O 3.32Å |
| 1303 | N | 73 | Confident | 70 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -100 | 89.6 | 159.6 | -77.6 | -90.2 | 0 | 0 | 0 | 108 | L1260 N1263 L1264 F1265 L1300 S1301 L1305 L1306 | L1260-N1303 PolarHBondContact O-ND2 3.09Å; N1263-N1303 WeakPolarHBondContact CA-OD1 3.33Å; N1263-N1303 WeakPolarHBondContact CB-OD1 3.4Å; N1263-N1303 WeakPolarHBondContact O-CA 3.41Å; N1263-N1303 PolarHBondContact O-OD1 2.68Å; L1264-N1303 PolarHBondContact N-OD1 2.73Å; F1265-N1303 WeakPolarHBondContact CB-OD1 3.18Å; F1265-N1303 VanDerWaalsContact CD2-OD1 3.3Å; F1265-N1303 WeakPolarHBondContact CD2-OD1 3.37Å; F1265-N1303 PolarHBondContact N-OD1 2.97Å; L1300-N1303 PolarHBondContact O-N 2.91Å; L1300-N1303 PolarHBondContact O-ND2 3.04Å; S1301-N1303 VanDerWaalsContact C-N 3.32Å; S1301-N1303 PolarHBondContact O-N 3.36Å; N1303-L1305 PolarHBondContact O-N 2.95Å; N1303-L1305 VanDerWaalsContact O-N 3.09Å; N1303-L1306 HydrophobicContact CB-CD1 3.56Å; N1303-L1306 HydrophobicContact CB-CG 3.82Å; N1303-L1306 PolarHBondContact O-N 3.46Å | ||
| 1304 | P | 63.4 | Low | 67.9 | Low | 37 Ų | 37 | 64.5 Ų | 64.5 | 24% | 0.24 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.7 | -168.2 | 26.9 | -35.6 | 0 | 0 | 0 | 113.9 | L1110 L1264 Y1302 C1308 S1356 | L1110-P1304 HydrophobicContact CD1-CG 4.35Å; L1264-P1304 HydrophobicContact CD2-CG 4.07Å; Y1302-P1304 VanDerWaalsContact O-CD 3.29Å; Y1302-P1304 WeakPolarHBondContact O-CD 3.43Å; P1304-C1308 PolarHBondContact O-SG 3.25Å; P1304-C1308 VanDerWaalsContact O-SG 3.37Å; P1304-S1356 VanDerWaalsContact O-CB 3.25Å; P1304-S1356 WeakPolarHBondContact O-CB 3.49Å; P1304-S1356 PolarHBondContact O-OG 2.9Å |
| 1305 | L | 66.2 | Low | 65.1 | Low | 46 Ų | 46 | 66.2 Ų | 66.2 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -15 | -179.9 | -59.4 | -178 | 0 | 0 | 0 | 113.6 | L1264 D1266 N1303 G1307 C1308 | L1264-L1305 HydrophobicContact CB-CD1 4.26Å; D1266-L1305 HydrophobicContact CB-CB 3.87Å; N1303-L1305 PolarHBondContact O-N 2.95Å; N1303-L1305 VanDerWaalsContact O-N 3.09Å; L1305-G1307 VanDerWaalsContact C-N 3.26Å; L1305-G1307 PolarHBondContact O-N 3.44Å; L1305-C1308 PolarHBondContact O-N 3.27Å; L1305-C1308 VanDerWaalsContact O-N 3.08Å |
| 1306 | L | 69.6 | Low | 62.3 | Low | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30.4 | 177.8 | -76.9 | 173.7 | 0 | 0 | 0 | 113.4 | F1270 L1300 N1303 F1336 L1352 C1355 | F1270-L1306 HydrophobicContact CD2-CD2 3.58Å; F1270-L1306 HydrophobicContact CE2-CD2 3.81Å; L1300-L1306 HydrophobicContact CB-CD1 3.9Å; L1300-L1306 HydrophobicContact CD1-CD1 4.08Å; N1303-L1306 HydrophobicContact CB-CD1 3.56Å; N1303-L1306 HydrophobicContact CB-CG 3.82Å; N1303-L1306 PolarHBondContact O-N 3.46Å; L1306-F1336 HydrophobicContact CD2-CZ 4.22Å; L1306-L1352 HydrophobicContact CD1-CD2 4.47Å; L1306-C1355 HydrophobicContact CB-CB 4.27Å; L1306-C1355 HydrophobicContact CD1-CB 4.37Å |
| 1307 | G | 59.3 | Low | 59.2 | Low | 8 Ų | 8 | 77.3 Ų | 77.3 | 8% | 0.082 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -7.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1305 C1355 T1359 | L1305-G1307 VanDerWaalsContact C-N 3.26Å; L1305-G1307 PolarHBondContact O-N 3.44Å; G1307-C1355 WeakPolarHBondContact CA-O 3.39Å; G1307-C1355 PolarHBondContact N-O 2.87Å; G1307-C1355 VanDerWaalsContact N-O 3.1Å; G1307-T1359 PolarHBondContact O-OG1 3.35Å |
| 1308 | C | 54.5 | Low | 56.1 | Low | 40 Ų | 40 | 79.3 Ų | 79.3 | 27% | 0.27 | 42% | 0.418 | S | S | . | . | trans | -105.2 | 114.7 | -167.1 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | P1304 L1305 M1310 | P1304-C1308 PolarHBondContact O-SG 3.25Å; P1304-C1308 VanDerWaalsContact O-SG 3.37Å; L1305-C1308 PolarHBondContact O-N 3.27Å; L1305-C1308 VanDerWaalsContact O-N 3.08Å; C1308-M1310 PolarHBondContact O-N 3.03Å | ||
| 1309 | N | 47.3 | Very low | 53 | Low | 116 Ų | 116 | 84.7 Ų | 84.7 | 62% | 0.62 | 46% | 0.456 | S | S | * | . | trans | -76.9 | 94.6 | 174.5 | -150.7 | -6.2 | 0 | 0 | 0 | 109.9 | ||||
| 1310 | M | 37.6 | Very low | 49.9 | Very low | 135 Ų | 135 | 91.7 Ų | 91.7 | 67% | 0.665 | 49% | 0.493 | S | S | * | . | trans | -83.2 | 119.8 | -178.1 | -73.7 | -75.2 | -96.4 | 0 | 0 | 111 | C1308 Q1312 | C1308-M1310 PolarHBondContact O-N 3.03Å; M1310-Q1312 PolarHBondContact O-N 2.97Å | ||
| 1311 | K | 39.9 | Very low | 46.7 | Very low | 117 Ų | 117 | 97.8 Ų | 97.8 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | trans | -74.2 | 121.1 | 172.3 | -74.8 | -175.6 | 164.1 | -151.6 | 0 | 111.1 | N1313 A1364 | K1311-N1313 PolarHBondContact O-N 3.35Å; K1311-A1364 VanDerWaalsContact CE-O 3.31Å; K1311-A1364 WeakPolarHBondContact CE-O 3.46Å; K1311-A1364 PolarHBondContact NZ-O 3.09Å | ||
| 1312 | Q | 36.2 | Very low | 43.9 | Very low | 157 Ų | 157 | 105.3 Ų | 105.3 | 73% | 0.734 | 56% | 0.563 | S | S | * | * | trans | -77.2 | 96.7 | 156.1 | -84.1 | -179.7 | -19.4 | 0 | 0 | 108.4 | M1310 H1314 | M1310-Q1312 PolarHBondContact O-N 2.97Å; Q1312-H1314 VanDerWaalsContact C-N 3.29Å; Q1312-H1314 PolarHBondContact O-N 3.23Å | ||
| 1313 | N | 30.1 | Very low | 41.5 | Very low | 127 Ų | 127 | 105.5 Ų | 105.5 | 68% | 0.679 | 56% | 0.564 | S | S | * | * | trans | -66.6 | 87.9 | 170 | -75.6 | -23.3 | 0 | 0 | 0 | 109.4 | K1311 L1315 | K1311-N1313 PolarHBondContact O-N 3.35Å; N1313-L1315 VanDerWaalsContact C-N 3.27Å; N1313-L1315 HydrophobicContact CB-CD1 4.49Å; N1313-L1315 PolarHBondContact O-N 3.23Å; N1313-L1315 VanDerWaalsContact O-N 3.11Å | ||
| 1314 | H | 32.4 | Very low | 39.3 | Very low | 173 Ų | 173 | 113.1 Ų | 113.1 | 80% | 0.801 | 61% | 0.605 | S | S | * | * | trans | -74.1 | 91.5 | 154.2 | -84.8 | -72.4 | 0 | 0 | 0 | 107.2 | Q1312 D1316 | Q1312-H1314 VanDerWaalsContact C-N 3.29Å; Q1312-H1314 PolarHBondContact O-N 3.23Å; H1314-D1316 PolarHBondContact O-N 3.24Å | ||
| 1315 | L | 29.6 | Very low | 37.7 | Very low | 149 Ų | 149 | 119.4 Ų | 119.4 | 78% | 0.78 | 64% | 0.636 | S | S | * | * | trans | -59 | 104.9 | 160.9 | -109.1 | 86 | 0 | 0 | 0 | 106.5 | N1313 | N1313-L1315 VanDerWaalsContact C-N 3.27Å; N1313-L1315 HydrophobicContact CB-CD1 4.49Å; N1313-L1315 PolarHBondContact O-N 3.23Å; N1313-L1315 VanDerWaalsContact O-N 3.11Å | ||
| 1316 | D | 34.1 | Very low | 35.9 | Very low | 149 Ų | 149 | 121.9 Ų | 121.9 | 80% | 0.797 | 66% | 0.657 | S | S | * | * | trans | -164 | 128.2 | 140.7 | -87.3 | -29.2 | 0 | 0 | 0 | 108.1 | H1314 | H1314-D1316 PolarHBondContact O-N 3.24Š| ||
| 1317 | N | 30.2 | Very low | 34.1 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | 91.5 | 84.7 | 175.2 | -51.5 | -30.8 | 0 | 0 | 0 | 117.2 | ||||
| 1318 | A | 31.9 | Very low | 33 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 88% | 0.884 | 72% | 0.718 | S | S | * | * | trans | -71.2 | 115.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1319 | S | 30.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -154.6 | 134.7 | 151.4 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1320 | L | 29.1 | Very low | 32.2 | Very low | 174 Ų | 174 | 136 Ų | 136 | 91% | 0.911 | 73% | 0.728 | S | S | * | * | trans | -44.3 | 127 | -179.1 | -100.8 | 80.3 | 0 | 0 | 0 | 114.4 | ||||
| 1321 | I | 25 | Very low | 33.1 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 65% | 0.651 | 71% | 0.712 | S | S | * | * | trans | -147.6 | 130.2 | 146.5 | -57.9 | -174.3 | 0 | 0 | 0 | 109.6 | Y1323 | I1321-Y1323 WeakPolarHBondContact O-CD2 3.21Š| ||
| 1322 | D | 24.6 | Very low | 34.3 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 88% | 0.882 | 71% | 0.705 | S | S | * | * | trans | -65.7 | 143.8 | 173.6 | -88.2 | -42.4 | 0 | 0 | 0 | 112.9 | ||||
| 1323 | Y | 27.2 | Very low | 36.4 | Very low | 115 Ų | 115 | 123 Ų | 123 | 45% | 0.451 | 67% | 0.671 | S | S | . | * | trans | -127.4 | 132.8 | -171.8 | -94.7 | -84.7 | 0 | 0 | 0 | 114.8 | I1321 Y1367 | I1321-Y1323 WeakPolarHBondContact O-CD2 3.21Å; Y1323-Y1367 HydrophobicContact CE2-CE2 4.38Å; Y1323-Y1367 AromaticContact CZ-CE2 3.94Å; Y1323-Y1367 WeakPolarHBondContact OH-CE2 3.39Å; Y1323-Y1367 PolarHBondContact OH-OH 2.89Å | ||
| 1324 | D | 26.2 | Very low | 38.9 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 86% | 0.856 | 64% | 0.639 | S | S | * | * | trans | -95.2 | 139.9 | 174.4 | -153 | -7.7 | 0 | 0 | 0 | 111 | ||||
| 1325 | L | 30.1 | Very low | 41.2 | Very low | 169 Ų | 169 | 112.5 Ų | 112.5 | 89% | 0.885 | 62% | 0.62 | S | S | * | * | trans | -107.5 | 64.1 | -154.4 | -89.1 | 161 | 0 | 0 | 0 | 114.3 | ||||
| 1326 | S | 29.4 | Very low | 43.7 | Very low | 97 Ų | 97 | 106.6 Ų | 106.6 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | trans | -141.8 | 128.5 | 172.4 | 65.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1327 | T | 32 | Very low | 46.3 | Very low | 116 Ų | 116 | 99.5 Ų | 99.5 | 71% | 0.712 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 109.5 | 123.6 | 155.9 | 71.8 | 0 | 0 | 0 | 0 | 121.2 | ||
| 1328 | N | 36 | Very low | 48.9 | Very low | 126 Ų | 126 | 93.1 Ų | 93.1 | 67% | 0.674 | 52% | 0.516 | S | S | * | . | trans | 88.1 | 24 | 143.1 | -75.5 | -23.2 | 0 | 0 | 0 | 124.2 | ||||
| 1329 | H | 39.6 | Very low | 51.4 | Low | 119 Ų | 119 | 90.6 Ų | 90.6 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -80.9 | -15.8 | 176 | -66.1 | -62.3 | 0 | 0 | 0 | 116.4 | K1331 N1360 | H1329-K1331 VanDerWaalsContact C-N 3.29Å; H1329-K1331 PolarHBondContact O-N 3.05Å; H1329-K1331 VanDerWaalsContact O-N 3.09Å; H1329-N1360 PolarHBondContact O-ND2 2.88Å |
| 1330 | D | 45.6 | Very low | 54.2 | Low | 102 Ų | 102 | 85.2 Ų | 85.2 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -72.5 | -4.1 | -168.8 | -71 | -24 | 0 | 0 | 0 | 117.1 | Q1402 | D1330-Q1402 PolarHBondContact O-NE2 3.32Š|
| 1331 | K | 55.6 | Low | 57.1 | Low | 78 Ų | 78 | 76.9 Ų | 76.9 | 34% | 0.339 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -105.9 | -3.2 | -162.9 | -62.7 | -175.4 | -179.3 | -177.5 | 0 | 117.1 | H1329 W1333 I1334 L1335 Y1405 | H1329-K1331 VanDerWaalsContact C-N 3.29Å; H1329-K1331 PolarHBondContact O-N 3.05Å; H1329-K1331 VanDerWaalsContact O-N 3.09Å; K1331-W1333 PolarHBondContact O-N 3.36Å; K1331-I1334 PolarHBondContact O-N 3.12Å; K1331-L1335 HydrophobicContact CB-CD1 4.18Å; K1331-L1335 HydrophobicContact CB-CG 4.43Å; K1331-L1335 WeakPolarHBondContact O-CG 3.26Å; K1331-L1335 PolarHBondContact O-N 2.95Å; K1331-L1335 VanDerWaalsContact O-N 3.12Å; K1331-Y1405 HydrophobicContact CD-CE1 4.31Å; K1331-Y1405 HydrophobicContact CG-CE1 4.42Å |
| 1332 | C | 65.7 | Low | 59.9 | Low | 52 Ų | 52 | 73 Ų | 73 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.2 | -57.2 | -165.1 | -160.1 | 0 | 0 | 0 | 0 | 114.3 | I1334 L1335 F1336 | C1332-I1334 VanDerWaalsContact C-N 3.26Å; C1332-I1334 PolarHBondContact O-N 2.89Å; C1332-L1335 PolarHBondContact O-N 2.91Å; C1332-F1336 PolarHBondContact O-N 3.49Å |
| 1333 | W | 79.7 | Confident | 62.7 | Low | 8 Ų | 8 | 65.3 Ų | 65.3 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.8 | -25.4 | -177.6 | 69.5 | -92.1 | 0 | 0 | 0 | 113.8 | K1331 F1336 I1337 L1357 L1392 I1398 Q1402 L1406 | K1331-W1333 PolarHBondContact O-N 3.36Å; W1333-F1336 WeakPolarHBondContact O-CB 3.39Å; W1333-F1336 PolarHBondContact O-N 2.88Å; W1333-I1337 HydrophobicContact CE3-CD1 3.62Å; W1333-I1337 HydrophobicContact CE3-CG1 4.43Å; W1333-I1337 HydrophobicContact CZ3-CD1 3.52Å; W1333-I1337 WeakPolarHBondContact O-CG1 3.5Å; W1333-I1337 PolarHBondContact O-N 3.27Å; W1333-I1337 VanDerWaalsContact O-N 3.07Å; W1333-L1357 HydrophobicContact CB-CD2 3.93Å; W1333-L1357 HydrophobicContact CD2-CB 4.27Å; W1333-L1357 HydrophobicContact CE3-CD1 4.16Å; W1333-L1357 HydrophobicContact CG-CB 4.43Å; W1333-L1357 HydrophobicContact CG-CD2 4.28Å; W1333-L1357 HydrophobicContact CZ3-CD1 4.42Å; W1333-L1392 HydrophobicContact CH2-CD1 4.5Å; W1333-L1392 HydrophobicContact CZ3-CD1 4.46Å; W1333-I1398 HydrophobicContact CH2-CD1 4.34Å; W1333-I1398 HydrophobicContact CH2-CG2 4.46Å; W1333-I1398 HydrophobicContact CZ2-CG1 4.21Å; W1333-I1398 HydrophobicContact CZ2-CG2 4.22Å; W1333-Q1402 HydrophobicContact CZ2-CB 4.06Å; W1333-L1406 HydrophobicContact CH2-CD2 3.9Å; W1333-L1406 HydrophobicContact CZ3-CD1 4.28Å; W1333-L1406 HydrophobicContact CZ3-CD2 3.94Å |
| 1334 | I | 83.9 | Confident | 65.7 | Low | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.3 | -41.8 | 177.3 | -59.9 | 176.9 | 0 | 0 | 0 | 109.8 | K1331 C1332 F1336 I1337 E1338 Q1402 Y1405 L1406 M1409 | K1331-I1334 PolarHBondContact O-N 3.12Å; C1332-I1334 VanDerWaalsContact C-N 3.26Å; C1332-I1334 PolarHBondContact O-N 2.89Å; I1334-F1336 VanDerWaalsContact C-N 3.3Å; I1334-I1337 PolarHBondContact O-N 3.34Å; I1334-E1338 PolarHBondContact O-N 3.45Å; I1334-E1338 VanDerWaalsContact O-N 3.1Å; I1334-Q1402 HydrophobicContact CD1-CB 4.02Å; I1334-Q1402 HydrophobicContact CD1-CG 4.28Å; I1334-Q1402 WeakPolarHBondContact CD1-O 3.41Å; I1334-Y1405 HydrophobicContact CB-CD1 4.38Å; I1334-Y1405 HydrophobicContact CB-CE1 4.45Å; I1334-Y1405 HydrophobicContact CD1-CD1 3.69Å; I1334-Y1405 HydrophobicContact CG2-CD1 3.75Å; I1334-Y1405 HydrophobicContact CG2-CE1 3.77Å; I1334-L1406 HydrophobicContact CD1-CB 4.45Å; I1334-L1406 HydrophobicContact CG2-CB 4.42Å; I1334-L1406 HydrophobicContact CG2-CD1 3.87Å; I1334-M1409 HydrophobicContact CG2-CE 4.22Å; I1334-M1409 HydrophobicContact CG2-SD 3.28Å; I1334-M1409 WeakPolarHBondContact CG2-SD 3.26Å |
| 1335 | L | 79.1 | Confident | 68.4 | Low | 76 Ų | 76 | 53.6 Ų | 53.6 | 40% | 0.398 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 172.8 | -66.2 | 171 | 0 | 0 | 0 | 111.7 | K1331 C1332 E1338 T1339 | K1331-L1335 HydrophobicContact CB-CD1 4.18Å; K1331-L1335 HydrophobicContact CB-CG 4.43Å; K1331-L1335 WeakPolarHBondContact O-CG 3.26Å; K1331-L1335 PolarHBondContact O-N 2.95Å; K1331-L1335 VanDerWaalsContact O-N 3.12Å; C1332-L1335 PolarHBondContact O-N 2.91Å; L1335-E1338 WeakPolarHBondContact O-CB 2.95Å; L1335-E1338 PolarHBondContact O-N 3.02Å; L1335-T1339 WeakPolarHBondContact O-CB 3.42Å; L1335-T1339 PolarHBondContact O-N 2.82Å; L1335-T1339 PolarHBondContact O-OG1 3.35Å |
| 1336 | F | 83.2 | Confident | 71.2 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 11% | 0.114 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 171.8 | 173.8 | -103.2 | 0 | 0 | 0 | 111.6 | F1270 L1300 L1306 C1332 W1333 I1334 E1338 T1339 I1340 F1350 | F1270-F1336 HydrophobicContact CB-CE2 3.69Å; F1270-F1336 HydrophobicContact CB-CZ 4.23Å; F1270-F1336 HydrophobicContact CD1-CZ 4.41Å; F1270-F1336 HydrophobicContact CD2-CE2 4.44Å; F1270-F1336 HydrophobicContact CD2-CZ 4.23Å; F1270-F1336 AromaticContact CG-CE2 3.99Å; F1270-F1336 HydrophobicContact CG-CE2 3.99Å; F1270-F1336 HydrophobicContact CG-CZ 4.01Å; L1300-F1336 HydrophobicContact CD1-CE1 4.25Å; L1300-F1336 HydrophobicContact CD1-CZ 4.11Å; L1306-F1336 HydrophobicContact CD2-CZ 4.22Å; C1332-F1336 PolarHBondContact O-N 3.49Å; W1333-F1336 WeakPolarHBondContact O-CB 3.39Å; W1333-F1336 PolarHBondContact O-N 2.88Å; I1334-F1336 VanDerWaalsContact C-N 3.3Å; F1336-E1338 VanDerWaalsContact C-N 3.3Å; F1336-E1338 PolarHBondContact O-N 2.85Å; F1336-T1339 PolarHBondContact O-N 3.4Å; F1336-T1339 VanDerWaalsContact O-N 3.13Å; F1336-I1340 HydrophobicContact CD1-CG1 4.31Å; F1336-I1340 HydrophobicContact CD2-CG1 4.2Å; F1336-I1340 HydrophobicContact CE1-CG1 3.91Å; F1336-I1340 HydrophobicContact CE2-CD1 3.88Å; F1336-I1340 HydrophobicContact CE2-CG1 3.77Å; F1336-I1340 HydrophobicContact CG-CG1 4.45Å; F1336-I1340 HydrophobicContact CZ-CD1 3.82Å; F1336-I1340 HydrophobicContact CZ-CG1 3.62Å; F1336-I1340 WeakPolarHBondContact O-CG1 3.43Å; F1336-I1340 PolarHBondContact O-N 2.88Å; F1336-F1350 HydrophobicContact CE1-CZ 4.21Å |
| 1337 | I | 88.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.1 | -44.9 | 174.8 | -66.7 | 174.1 | 0 | 0 | 0 | 110.7 | W1333 I1334 T1339 I1340 L1341 F1350 L1352 L1406 | W1333-I1337 HydrophobicContact CE3-CD1 3.62Å; W1333-I1337 HydrophobicContact CE3-CG1 4.43Å; W1333-I1337 HydrophobicContact CZ3-CD1 3.52Å; W1333-I1337 WeakPolarHBondContact O-CG1 3.5Å; W1333-I1337 PolarHBondContact O-N 3.27Å; W1333-I1337 VanDerWaalsContact O-N 3.07Å; I1334-I1337 PolarHBondContact O-N 3.34Å; I1337-T1339 VanDerWaalsContact C-N 3.3Å; I1337-T1339 PolarHBondContact O-N 3.36Å; I1337-I1340 PolarHBondContact O-N 3.47Å; I1337-L1341 HydrophobicContact CG2-CD1 3.87Å; I1337-L1341 HydrophobicContact CG2-CG 4.3Å; I1337-L1341 WeakPolarHBondContact O-CB 3.19Å; I1337-L1341 VanDerWaalsContact O-CG 3.29Å; I1337-L1341 WeakPolarHBondContact O-CG 3.32Å; I1337-L1341 PolarHBondContact O-N 2.96Å; I1337-F1350 HydrophobicContact CG1-CE1 4.06Å; I1337-F1350 HydrophobicContact CG2-CE1 4.39Å; I1337-L1352 HydrophobicContact CD1-CD1 3.79Å; I1337-L1352 HydrophobicContact CG1-CD1 3.75Å; I1337-L1406 HydrophobicContact CD1-CD1 3.95Å |
| 1338 | E | 85.8 | Confident | 77.3 | Confident | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57 | -45.9 | 176.8 | -156.4 | -176.8 | 153.2 | 0 | 0 | 112.2 | I1334 L1335 F1336 L1341 K1342 M1409 | I1334-E1338 PolarHBondContact O-N 3.45Å; I1334-E1338 VanDerWaalsContact O-N 3.1Å; L1335-E1338 WeakPolarHBondContact O-CB 2.95Å; L1335-E1338 PolarHBondContact O-N 3.02Å; F1336-E1338 VanDerWaalsContact C-N 3.3Å; F1336-E1338 PolarHBondContact O-N 2.85Å; E1338-L1341 PolarHBondContact O-N 3.2Å; E1338-K1342 WeakPolarHBondContact O-CG 3.37Å; E1338-K1342 PolarHBondContact O-N 3.23Å; E1338-K1342 WeakPolarHBondContact OE1-CE 3.45Å; E1338-K1342 IonicContact OE1-NZ 2.61Å; E1338-K1342 PolarHBondContact OE1-NZ 3.14Å; E1338-M1409 HydrophobicContact CB-CE 3.39Å; E1338-M1409 HydrophobicContact CG-CE 3.45Å; E1338-M1409 VanDerWaalsContact CG-CE 3.45Å |
| 1339 | T | 84.4 | Confident | 80.2 | Confident | 54 Ų | 54 | 39.2 Ų | 39.2 | 33% | 0.331 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.9 | -44.6 | -177.4 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | L1274 L1335 F1336 I1337 L1341 K1342 A1343 | L1274-T1339 HydrophobicContact CD1-CG2 3.83Å; L1335-T1339 WeakPolarHBondContact O-CB 3.42Å; L1335-T1339 PolarHBondContact O-N 2.82Å; L1335-T1339 PolarHBondContact O-OG1 3.35Å; F1336-T1339 PolarHBondContact O-N 3.4Å; F1336-T1339 VanDerWaalsContact O-N 3.13Å; I1337-T1339 VanDerWaalsContact C-N 3.3Å; I1337-T1339 PolarHBondContact O-N 3.36Å; T1339-L1341 PolarHBondContact O-N 3.28Å; T1339-K1342 PolarHBondContact O-N 3.09Å; T1339-A1343 WeakPolarHBondContact O-CB 3.33Å; T1339-A1343 PolarHBondContact O-N 2.85Å |
| 1340 | I | 88.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 175.9 | -68.2 | -67.1 | 0 | 0 | 0 | 111.2 | F1270 L1274 L1298 F1336 I1337 K1342 A1343 F1344 L1347 F1350 | F1270-I1340 HydrophobicContact CD1-CD1 4.33Å; L1274-I1340 HydrophobicContact CD1-CD1 4.23Å; L1298-I1340 HydrophobicContact CD2-CG2 3.87Å; F1336-I1340 HydrophobicContact CD1-CG1 4.31Å; F1336-I1340 HydrophobicContact CD2-CG1 4.2Å; F1336-I1340 HydrophobicContact CE1-CG1 3.91Å; F1336-I1340 HydrophobicContact CE2-CD1 3.88Å; F1336-I1340 HydrophobicContact CE2-CG1 3.77Å; F1336-I1340 HydrophobicContact CG-CG1 4.45Å; F1336-I1340 HydrophobicContact CZ-CD1 3.82Å; F1336-I1340 HydrophobicContact CZ-CG1 3.62Å; F1336-I1340 WeakPolarHBondContact O-CG1 3.43Å; F1336-I1340 PolarHBondContact O-N 2.88Å; I1337-I1340 PolarHBondContact O-N 3.47Å; I1340-K1342 PolarHBondContact O-N 3.47Å; I1340-A1343 PolarHBondContact O-N 3.33Å; I1340-F1344 HydrophobicContact CD1-CE2 4.04Å; I1340-F1344 HydrophobicContact CG2-CD2 3.76Å; I1340-F1344 HydrophobicContact CG2-CE2 4.11Å; I1340-F1344 WeakPolarHBondContact O-CB 3.25Å; I1340-F1344 PolarHBondContact O-N 2.84Å; I1340-L1347 HydrophobicContact CG2-CD2 4.13Å; I1340-F1350 HydrophobicContact CB-CE1 4.41Å; I1340-F1350 HydrophobicContact CB-CZ 4.43Å; I1340-F1350 HydrophobicContact CG1-CZ 4.46Å; I1340-F1350 HydrophobicContact CG2-CE1 4Å; I1340-F1350 HydrophobicContact CG2-CE2 4.5Å; I1340-F1350 HydrophobicContact CG2-CZ 3.91Å |
| 1341 | L | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.7 | -33.2 | 179.4 | -69.7 | 177.3 | 0 | 0 | 0 | 113.1 | I1337 E1338 T1339 F1344 P1345 L1347 F1383 L1387 C1411 L1412 | I1337-L1341 HydrophobicContact CG2-CD1 3.87Å; I1337-L1341 HydrophobicContact CG2-CG 4.3Å; I1337-L1341 WeakPolarHBondContact O-CB 3.19Å; I1337-L1341 VanDerWaalsContact O-CG 3.29Å; I1337-L1341 WeakPolarHBondContact O-CG 3.32Å; I1337-L1341 PolarHBondContact O-N 2.96Å; E1338-L1341 PolarHBondContact O-N 3.2Å; T1339-L1341 PolarHBondContact O-N 3.28Å; L1341-F1344 CarbonylContact O-C 3.22Å; L1341-P1345 WeakPolarHBondContact O-CA 3.14Å; L1341-L1347 HydrophobicContact CD2-CB 4.42Å; L1341-L1347 HydrophobicContact CD2-CD2 4.04Å; L1341-F1383 HydrophobicContact CB-CE1 4.21Å; L1341-F1383 VanDerWaalsContact O-CZ 3.31Å; L1341-F1383 WeakPolarHBondContact O-CZ 3.45Å; L1341-L1387 HydrophobicContact CD1-CD2 4.23Å; L1341-L1387 HydrophobicContact CD2-CB 3.81Å; L1341-L1387 HydrophobicContact CD2-CD1 4.17Å; L1341-L1387 HydrophobicContact CD2-CD2 4.08Å; L1341-L1387 HydrophobicContact CD2-CG 4.23Å; L1341-C1411 HydrophobicContact CD1-CB 4.24Å; L1341-L1412 HydrophobicContact CD1-CD2 3.79Å |
| 1342 | K | 83.3 | Confident | 87.1 | Confident | 44 Ų | 44 | 25.7 Ų | 25.7 | 19% | 0.191 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.8 | -44.3 | 172 | -74.5 | 176.7 | -176.3 | 170.1 | 0 | 111.3 | E1338 T1339 I1340 F1344 F1383 | E1338-K1342 WeakPolarHBondContact O-CG 3.37Å; E1338-K1342 PolarHBondContact O-N 3.23Å; E1338-K1342 WeakPolarHBondContact OE1-CE 3.45Å; E1338-K1342 IonicContact OE1-NZ 2.61Å; E1338-K1342 PolarHBondContact OE1-NZ 3.14Å; T1339-K1342 PolarHBondContact O-N 3.09Å; I1340-K1342 PolarHBondContact O-N 3.47Å; K1342-F1344 VanDerWaalsContact C-N 3.32Å; K1342-F1344 PolarHBondContact O-N 3.49Å; K1342-F1383 HydrophobicContact CB-CE1 4.44Å; K1342-F1383 HydrophobicContact CG-CD1 3.79Å; K1342-F1383 HydrophobicContact CG-CE1 3.77Å; K1342-F1383 HydrophobicContact CG-CG 4.4Å; K1342-F1383 HydrophobicContact CG-CZ 4.36Å |
| 1343 | A | 83.8 | Confident | 87.9 | Confident | 5 Ų | 5 | 23.4 Ų | 23.4 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1274 L1291 M1292 T1339 I1340 P1345 | L1274-A1343 HydrophobicContact CD2-CB 3.64Å; L1291-A1343 HydrophobicContact CB-CB 4.34Å; L1291-A1343 HydrophobicContact CD1-CB 4.03Å; L1291-A1343 HydrophobicContact CG-CB 4.29Å; L1291-A1343 PolarHBondContact N-O 3.12Å; M1292-A1343 PolarHBondContact N-O 3.36Å; T1339-A1343 WeakPolarHBondContact O-CB 3.33Å; T1339-A1343 PolarHBondContact O-N 2.85Å; I1340-A1343 PolarHBondContact O-N 3.33Å; A1343-P1345 WeakPolarHBondContact O-CD 3.45Å |
| 1344 | F | 90 | Very high | 87.9 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | trans | -123.1 | 73 | -174.4 | -46.9 | -37 | 0 | 0 | 0 | 110.8 | F1273 L1274 L1277 L1291 M1292 L1295 L1298 I1340 L1341 K1342 K1346 L1347 | F1273-F1344 HydrophobicContact CE1-CZ 4.23Å; L1274-F1344 HydrophobicContact CD2-CE1 4.19Å; L1274-F1344 HydrophobicContact CD2-CE2 4.43Å; L1274-F1344 HydrophobicContact CD2-CZ 3.71Å; L1277-F1344 HydrophobicContact CD1-CE1 4.11Å; L1277-F1344 HydrophobicContact CD1-CZ 4.31Å; L1291-F1344 HydrophobicContact CB-CE1 4.22Å; M1292-F1344 HydrophobicContact CB-CD1 3.57Å; M1292-F1344 HydrophobicContact CB-CE1 3.75Å; M1292-F1344 HydrophobicContact CG-CD1 3.99Å; M1292-F1344 HydrophobicContact CG-CE1 3.6Å; M1292-F1344 HydrophobicContact SD-CD1 4.48Å; M1292-F1344 HydrophobicContact SD-CE1 3.85Å; M1292-F1344 HydrophobicContact SD-CZ 4.19Å; L1295-F1344 HydrophobicContact CD2-CB 4.45Å; L1295-F1344 HydrophobicContact CD2-CD1 4.33Å; L1295-F1344 HydrophobicContact CD2-CD2 3.78Å; L1295-F1344 HydrophobicContact CD2-CE2 4.1Å; L1295-F1344 HydrophobicContact CD2-CG 3.93Å; L1298-F1344 HydrophobicContact CD2-CD2 4.21Å; L1298-F1344 HydrophobicContact CD2-CE2 4.12Å; I1340-F1344 HydrophobicContact CD1-CE2 4.04Å; I1340-F1344 HydrophobicContact CG2-CD2 3.76Å; I1340-F1344 HydrophobicContact CG2-CE2 4.11Å; I1340-F1344 WeakPolarHBondContact O-CB 3.25Å; I1340-F1344 PolarHBondContact O-N 2.84Å; L1341-F1344 CarbonylContact O-C 3.22Å; K1342-F1344 VanDerWaalsContact C-N 3.32Å; K1342-F1344 PolarHBondContact O-N 3.49Å; F1344-K1346 PolarHBondContact O-N 3.32Å; F1344-K1346 VanDerWaalsContact O-N 3.15Å; F1344-L1347 HydrophobicContact CB-CB 4.17Å; F1344-L1347 WeakPolarHBondContact O-CB 3.14Å; F1344-L1347 PolarHBondContact O-N 2.9Å | ||
| 1345 | P | 82.5 | Confident | 87.5 | Confident | 28 Ų | 28 | 23.8 Ų | 23.8 | 18% | 0.182 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.5 | -170.3 | 27.5 | -37.6 | 0 | 0 | 0 | 114 | V1290 L1341 A1343 L1347 F1383 C1386 | V1290-P1345 HydrophobicContact CB-CG 4.32Å; V1290-P1345 HydrophobicContact CG1-CG 3.66Å; V1290-P1345 HydrophobicContact CG2-CG 3.78Å; L1341-P1345 WeakPolarHBondContact O-CA 3.14Å; A1343-P1345 WeakPolarHBondContact O-CD 3.45Å; P1345-L1347 VanDerWaalsContact C-N 3.32Å; P1345-F1383 HydrophobicContact CB-CZ 4.45Å; P1345-C1386 VanDerWaalsContact O-CB 3.3Å; P1345-C1386 WeakPolarHBondContact O-CB 3.32Å; P1345-C1386 PolarHBondContact O-N 3.47Å; P1345-C1386 PolarHBondContact O-SG 2.9Å |
| 1346 | K | 89.2 | Confident | 87.1 | Confident | 104 Ų | 104 | 21.6 Ų | 21.6 | 45% | 0.452 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 8 | 177.7 | -62.5 | -162.7 | -167.7 | 155.2 | 0 | 114 | P1293 L1295 F1344 N1348 | P1293-K1346 WeakPolarHBondContact O-CD 3.47Å; P1293-K1346 WeakPolarHBondContact O-CE 3.45Å; P1293-K1346 PolarHBondContact O-NZ 3.18Å; L1295-K1346 CarbonylContact O-C 3.46Å; F1344-K1346 PolarHBondContact O-N 3.32Å; F1344-K1346 VanDerWaalsContact O-N 3.15Å; K1346-N1348 PolarHBondContact O-N 3.45Å; K1346-N1348 PolarHBondContact O-OD1 3.1Å |
| 1347 | L | 94.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -65 | 118.7 | 179.5 | -168.3 | 70.6 | 0 | 0 | 0 | 109.3 | L1295 L1298 I1340 L1341 F1344 P1345 F1350 C1386 L1387 | L1295-L1347 HydrophobicContact CD2-CD1 4.46Å; L1295-L1347 HydrophobicContact CG-CD1 4.3Å; L1295-L1347 WeakPolarHBondContact O-CA 3.47Å; L1295-L1347 PolarHBondContact O-N 2.95Å; L1298-L1347 HydrophobicContact CB-CD1 3.56Å; L1298-L1347 HydrophobicContact CB-CD2 4.26Å; I1340-L1347 HydrophobicContact CG2-CD2 4.13Å; L1341-L1347 HydrophobicContact CD2-CB 4.42Å; L1341-L1347 HydrophobicContact CD2-CD2 4.04Å; F1344-L1347 HydrophobicContact CB-CB 4.17Å; F1344-L1347 WeakPolarHBondContact O-CB 3.14Å; F1344-L1347 PolarHBondContact O-N 2.9Å; P1345-L1347 VanDerWaalsContact C-N 3.32Å; L1347-F1350 HydrophobicContact CD2-CB 3.92Å; L1347-F1350 HydrophobicContact CD2-CD1 4.31Å; L1347-F1350 HydrophobicContact CD2-CD2 4.39Å; L1347-F1350 HydrophobicContact CD2-CG 3.99Å; L1347-C1386 CarbonylContact O-C 3.57Å; L1347-L1387 HydrophobicContact CD2-CD1 4.29Å; L1347-L1387 HydrophobicContact CG-CD1 4.22Å; L1347-L1387 WeakPolarHBondContact O-CA 3.42Å; L1347-L1387 PolarHBondContact O-N 3.36Å | ||
| 1348 | N | 95.5 | Very high | 85.9 | Confident | 54 Ų | 54 | 21.1 Ų | 21.1 | 29% | 0.289 | 12% | 0.116 | S | C | . | . | trans | -101.9 | -32.4 | -178.7 | -67.2 | -18.3 | 0 | 0 | 0 | 112 | Q1296 K1346 C1386 S1388 E1389 | Q1296-N1348 PolarHBondContact O-N 3.4Å; K1346-N1348 PolarHBondContact O-N 3.45Å; K1346-N1348 PolarHBondContact O-OD1 3.1Å; N1348-C1386 PolarHBondContact OD1-O 2.9Å; N1348-S1388 CarbonylContact O-C 3.56Å; N1348-S1388 WeakPolarHBondContact O-CA 3.44Å; N1348-S1388 PolarHBondContact O-N 3.29Å; N1348-S1388 PolarHBondContact O-OG 2.67Å; N1348-E1389 PolarHBondContact O-N 2.92Å | ||
| 1349 | Y | 97 | Very high | 84.6 | Confident | 47 Ų | 47 | 22 Ų | 22 | 18% | 0.184 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.8 | -179 | 172.9 | -96.9 | 0 | 0 | 0 | 110.3 | Q1296 H1297 L1298 N1351 E1389 | Q1296-Y1349 PolarHBondContact O-N 2.98Å; H1297-Y1349 HydrophobicContact CB-CD1 4.23Å; H1297-Y1349 AromaticContact CD2-CG 3.98Å; L1298-Y1349 PolarHBondContact N-O 3.41Å; Y1349-N1351 HydrophobicContact CE1-CB 3.8Å; Y1349-N1351 WeakPolarHBondContact OH-CB 3.49Å; Y1349-N1351 PolarHBondContact OH-ND2 3.35Å; Y1349-E1389 WeakPolarHBondContact CA-O 3.42Å; Y1349-E1389 HydrophobicContact CD2-CB 3.99Å; Y1349-E1389 HydrophobicContact CD2-CG 3.66Å; Y1349-E1389 WeakPolarHBondContact CD2-OE2 3.36Å; Y1349-E1389 HydrophobicContact CE2-CG 4.02Å |
| 1350 | F | 97.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.6 | 176.6 | -169 | -162 | 0 | 0 | 0 | 111 | L1298 L1300 F1336 I1337 I1340 L1347 L1352 L1387 E1389 L1390 D1391 | L1298-F1350 HydrophobicContact CB-CD2 4.12Å; L1298-F1350 HydrophobicContact CB-CE2 4.49Å; L1298-F1350 HydrophobicContact CD2-CD2 4.11Å; L1298-F1350 HydrophobicContact CD2-CE2 3.69Å; L1298-F1350 HydrophobicContact CD2-CZ 4.35Å; L1298-F1350 HydrophobicContact CG-CD2 4.13Å; L1298-F1350 HydrophobicContact CG-CE2 4.01Å; L1298-F1350 WeakPolarHBondContact O-CA 3.37Å; L1300-F1350 HydrophobicContact CD1-CE2 3.84Å; L1300-F1350 HydrophobicContact CD1-CZ 4.22Å; L1300-F1350 HydrophobicContact CG-CE2 4.05Å; F1336-F1350 HydrophobicContact CE1-CZ 4.21Å; I1337-F1350 HydrophobicContact CG1-CE1 4.06Å; I1337-F1350 HydrophobicContact CG2-CE1 4.39Å; I1340-F1350 HydrophobicContact CB-CE1 4.41Å; I1340-F1350 HydrophobicContact CB-CZ 4.43Å; I1340-F1350 HydrophobicContact CG1-CZ 4.46Å; I1340-F1350 HydrophobicContact CG2-CE1 4Å; I1340-F1350 HydrophobicContact CG2-CE2 4.5Å; I1340-F1350 HydrophobicContact CG2-CZ 3.91Å; L1347-F1350 HydrophobicContact CD2-CB 3.92Å; L1347-F1350 HydrophobicContact CD2-CD1 4.31Å; L1347-F1350 HydrophobicContact CD2-CD2 4.39Å; L1347-F1350 HydrophobicContact CD2-CG 3.99Å; F1350-L1352 HydrophobicContact CD1-CD1 4.29Å; F1350-L1352 HydrophobicContact CD1-CG 4.49Å; F1350-L1352 HydrophobicContact CD2-CD2 4.43Å; F1350-L1352 HydrophobicContact CD2-CG 4.29Å; F1350-L1352 HydrophobicContact CE1-CD1 3.73Å; F1350-L1352 HydrophobicContact CE1-CD2 4.38Å; F1350-L1352 HydrophobicContact CE1-CG 4.1Å; F1350-L1352 HydrophobicContact CE2-CD1 4.37Å; F1350-L1352 HydrophobicContact CE2-CD2 3.61Å; F1350-L1352 HydrophobicContact CE2-CG 3.86Å; F1350-L1352 HydrophobicContact CZ-CD1 3.78Å; F1350-L1352 HydrophobicContact CZ-CD2 3.59Å; F1350-L1352 HydrophobicContact CZ-CG 3.77Å; F1350-L1387 HydrophobicContact CB-CD1 3.57Å; F1350-L1387 HydrophobicContact CB-CD2 4.48Å; F1350-E1389 PolarHBondContact N-O 3.2Å; F1350-L1390 HydrophobicContact CB-CD1 4.13Å; F1350-L1390 HydrophobicContact CD1-CD1 4Å; F1350-L1390 HydrophobicContact CG-CD1 4.31Å; F1350-L1390 WeakPolarHBondContact O-CA 3.18Å; F1350-D1391 PolarHBondContact O-N 2.77Å |
| 1351 | N | 95.3 | Very high | 80.4 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 8% | 0.075 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.9 | -179.6 | -172.2 | -18.7 | 0 | 0 | 0 | 111.4 | L1298 N1299 L1300 S1301 Y1349 A1353 D1391 | L1298-N1351 PolarHBondContact O-N 3.33Å; L1298-N1351 VanDerWaalsContact O-N 3.1Å; N1299-N1351 WeakPolarHBondContact OD1-CB 3.36Å; L1300-N1351 CarbonylContact C-O 2.94Å; L1300-N1351 PolarHBondContact N-O 2.71Å; S1301-N1351 WeakPolarHBondContact CB-OD1 3.3Å; S1301-N1351 PolarHBondContact N-O 3.09Å; Y1349-N1351 HydrophobicContact CE1-CB 3.8Å; Y1349-N1351 WeakPolarHBondContact OH-CB 3.49Å; Y1349-N1351 PolarHBondContact OH-ND2 3.35Å; N1351-A1353 VanDerWaalsContact OD1-CB 3.28Å; N1351-A1353 WeakPolarHBondContact OD1-CB 3.29Å; N1351-A1353 PolarHBondContact OD1-N 2.96Å; N1351-D1391 HydrophobicContact CB-CB 4.22Å |
| 1352 | L | 92.7 | Very high | 77.6 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -126 | 26.2 | 178.2 | -63.7 | 175 | 0 | 0 | 0 | 111.6 | L1300 L1306 I1337 F1350 G1354 C1355 L1357 D1391 L1392 N1395 | L1300-L1352 HydrophobicContact CB-CD2 3.97Å; L1300-L1352 HydrophobicContact CD1-CD2 4.05Å; L1300-L1352 HydrophobicContact CG-CD2 4.39Å; L1306-L1352 HydrophobicContact CD1-CD2 4.47Å; I1337-L1352 HydrophobicContact CD1-CD1 3.79Å; I1337-L1352 HydrophobicContact CG1-CD1 3.75Å; F1350-L1352 HydrophobicContact CD1-CD1 4.29Å; F1350-L1352 HydrophobicContact CD1-CG 4.49Å; F1350-L1352 HydrophobicContact CD2-CD2 4.43Å; F1350-L1352 HydrophobicContact CD2-CG 4.29Å; F1350-L1352 HydrophobicContact CE1-CD1 3.73Å; F1350-L1352 HydrophobicContact CE1-CD2 4.38Å; F1350-L1352 HydrophobicContact CE1-CG 4.1Å; F1350-L1352 HydrophobicContact CE2-CD1 4.37Å; F1350-L1352 HydrophobicContact CE2-CD2 3.61Å; F1350-L1352 HydrophobicContact CE2-CG 3.86Å; F1350-L1352 HydrophobicContact CZ-CD1 3.78Å; F1350-L1352 HydrophobicContact CZ-CD2 3.59Å; F1350-L1352 HydrophobicContact CZ-CG 3.77Å; L1352-G1354 PolarHBondContact O-N 2.99Å; L1352-C1355 VanDerWaalsContact C-SG 3.54Å; L1352-C1355 WeakPolarHBondContact O-CB 3.35Å; L1352-C1355 PolarHBondContact O-N 2.86Å; L1352-C1355 PolarHBondContact O-SG 2.91Å; L1352-C1355 VanDerWaalsContact O-SG 3.34Å; L1352-L1357 HydrophobicContact CB-CD1 3.94Å; L1352-L1357 HydrophobicContact CD1-CD1 4.22Å; L1352-D1391 CarbonylContact C-O 3.58Å; L1352-D1391 PolarHBondContact N-O 3.45Å; L1352-L1392 HydrophobicContact CB-CD2 4.1Å; L1352-L1392 HydrophobicContact CD1-CD2 4.16Å; L1352-N1395 PolarHBondContact O-ND2 2.93Å | ||
| 1353 | A | 83.6 | Confident | 75.1 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 134.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S1301 Y1302 N1351 C1355 D1391 S1393 | S1301-A1353 CarbonylContact C-O 3.59Å; S1301-A1353 VanDerWaalsContact CA-O 3.23Å; S1301-A1353 WeakPolarHBondContact CA-O 3.37Å; S1301-A1353 WeakPolarHBondContact CB-O 3.47Å; Y1302-A1353 PolarHBondContact N-O 3.32Å; N1351-A1353 VanDerWaalsContact OD1-CB 3.28Å; N1351-A1353 WeakPolarHBondContact OD1-CB 3.29Å; N1351-A1353 PolarHBondContact OD1-N 2.96Å; A1353-C1355 VanDerWaalsContact C-N 3.35Å; A1353-C1355 PolarHBondContact O-N 3.12Å; A1353-D1391 PolarHBondContact N-O 3.12Å; A1353-S1393 CarbonylContact C-O 3.55Å; A1353-S1393 WeakPolarHBondContact CA-O 3.22Å; A1353-S1393 WeakPolarHBondContact CB-O 3.47Å |
| 1354 | G | 78.8 | Confident | 72.6 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 27.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1352 S1356 S1393 N1395 | L1352-G1354 PolarHBondContact O-N 2.99Å; G1354-S1356 PolarHBondContact O-N 3.05Å; G1354-S1393 PolarHBondContact N-O 2.89Å; G1354-N1395 PolarHBondContact N-ND2 2.89Å |
| 1355 | C | 76.4 | Confident | 69.9 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -93.4 | 29.3 | -178.3 | -63.4 | 0 | 0 | 0 | 0 | 114.2 | L1300 L1306 G1307 L1352 A1353 L1357 N1395 | L1300-C1355 PolarHBondContact O-SG 3.17Å; L1306-C1355 HydrophobicContact CB-CB 4.27Å; L1306-C1355 HydrophobicContact CD1-CB 4.37Å; G1307-C1355 WeakPolarHBondContact CA-O 3.39Å; G1307-C1355 PolarHBondContact N-O 2.87Å; G1307-C1355 VanDerWaalsContact N-O 3.1Å; L1352-C1355 VanDerWaalsContact C-SG 3.54Å; L1352-C1355 WeakPolarHBondContact O-CB 3.35Å; L1352-C1355 PolarHBondContact O-N 2.86Å; L1352-C1355 PolarHBondContact O-SG 2.91Å; L1352-C1355 VanDerWaalsContact O-SG 3.34Å; A1353-C1355 VanDerWaalsContact C-N 3.35Å; A1353-C1355 PolarHBondContact O-N 3.12Å; C1355-L1357 HydrophobicContact CB-CD2 3.95Å; C1355-L1357 HydrophobicContact CB-CG 4.01Å; C1355-L1357 PolarHBondContact O-N 3.04Å; C1355-L1357 VanDerWaalsContact O-N 3.09Å; C1355-N1395 PolarHBondContact N-OD1 3.28Å |
| 1356 | S | 70 | Confident | 67.4 | Low | 30 Ų | 30 | 49.7 Ų | 49.7 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | trans | 50.9 | 30.1 | -176.9 | -55.6 | 0 | 0 | 0 | 0 | 114.5 | P1304 G1354 G1358 T1359 N1395 | P1304-S1356 VanDerWaalsContact O-CB 3.25Å; P1304-S1356 WeakPolarHBondContact O-CB 3.49Å; P1304-S1356 PolarHBondContact O-OG 2.9Å; G1354-S1356 PolarHBondContact O-N 3.05Å; S1356-G1358 PolarHBondContact O-N 3.46Å; S1356-T1359 PolarHBondContact O-OG1 3.2Å; S1356-N1395 PolarHBondContact N-OD1 2.76Å | ||
| 1357 | L | 77.8 | Confident | 64.6 | Low | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 134.9 | -173.6 | -53.3 | 179.2 | 0 | 0 | 0 | 111.4 | W1333 L1352 C1355 L1392 N1395 I1398 | W1333-L1357 HydrophobicContact CB-CD2 3.93Å; W1333-L1357 HydrophobicContact CD2-CB 4.27Å; W1333-L1357 HydrophobicContact CE3-CD1 4.16Å; W1333-L1357 HydrophobicContact CG-CB 4.43Å; W1333-L1357 HydrophobicContact CG-CD2 4.28Å; W1333-L1357 HydrophobicContact CZ3-CD1 4.42Å; L1352-L1357 HydrophobicContact CB-CD1 3.94Å; L1352-L1357 HydrophobicContact CD1-CD1 4.22Å; C1355-L1357 HydrophobicContact CB-CD2 3.95Å; C1355-L1357 HydrophobicContact CB-CG 4.01Å; C1355-L1357 PolarHBondContact O-N 3.04Å; C1355-L1357 VanDerWaalsContact O-N 3.09Å; L1357-L1392 HydrophobicContact CD1-CD2 3.93Å; L1357-N1395 HydrophobicContact CB-CB 3.96Å; L1357-N1395 HydrophobicContact CG-CB 4.47Å; L1357-N1395 WeakPolarHBondContact CG-OD1 3.49Å; L1357-N1395 PolarHBondContact N-OD1 3.02Å; L1357-I1398 HydrophobicContact CB-CD1 4.19Å; L1357-I1398 HydrophobicContact CB-CG1 4.08Å |
| 1358 | G | 68.9 | Low | 61.5 | Low | 13 Ų | 13 | 58.2 Ų | 58.2 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1356 N1360 | S1356-G1358 PolarHBondContact O-N 3.46Å; G1358-N1360 VanDerWaalsContact C-N 3.35Å; G1358-N1360 PolarHBondContact O-N 2.86Å |
| 1359 | T | 56.7 | Low | 58.5 | Low | 40 Ų | 40 | 64.4 Ų | 64.4 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | trans | -77.7 | 68.4 | 178.9 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | G1307 S1356 Q1397 | G1307-T1359 PolarHBondContact O-OG1 3.35Å; S1356-T1359 PolarHBondContact O-OG1 3.2Å; T1359-Q1397 HydrophobicContact CG2-CB 3.99Å; T1359-Q1397 HydrophobicContact CG2-CG 3.6Å | ||
| 1360 | N | 48.8 | Very low | 55.4 | Low | 42 Ų | 42 | 69 Ų | 69 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | trans | -107.1 | 62.2 | 169.2 | -73.8 | -16.7 | 0 | 0 | 0 | 111 | H1329 G1358 I1362 | H1329-N1360 PolarHBondContact O-ND2 2.88Å; G1358-N1360 VanDerWaalsContact C-N 3.35Å; G1358-N1360 PolarHBondContact O-N 2.86Å; N1360-I1362 PolarHBondContact O-N 3.17Å | ||
| 1361 | T | 36.5 | Very low | 52.2 | Low | 123 Ų | 123 | 75.8 Ų | 75.8 | 76% | 0.755 | 41% | 0.405 | S | S | * | . | trans | -78.7 | 107.3 | 170 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | N1363 | T1361-N1363 PolarHBondContact O-N 3.41Š| ||
| 1362 | I | 31.7 | Very low | 49.3 | Very low | 152 Ų | 152 | 81.2 Ų | 81.2 | 78% | 0.779 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 34.3 | 83.3 | 138.3 | -47.7 | 167.1 | 0 | 0 | 0 | 114.2 | N1360 | N1360-I1362 PolarHBondContact O-N 3.17Š|
| 1363 | N | 30.3 | Very low | 46.6 | Very low | 151 Ų | 151 | 90.6 Ų | 90.6 | 81% | 0.807 | 47% | 0.466 | S | S | * | . | trans | 176 | 123.7 | 131.9 | -96.1 | -26.3 | 0 | 0 | 0 | 112 | T1361 | T1361-N1363 PolarHBondContact O-N 3.41Š| ||
| 1364 | A | 31.9 | Very low | 44.8 | Very low | 44 Ų | 44 | 93.5 Ų | 93.5 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | trans | 103 | 111.7 | 131.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | K1311 | K1311-A1364 VanDerWaalsContact CE-O 3.31Å; K1311-A1364 WeakPolarHBondContact CE-O 3.46Å; K1311-A1364 PolarHBondContact NZ-O 3.09Å | ||
| 1365 | N | 32 | Very low | 43.1 | Very low | 101 Ų | 101 | 96.3 Ų | 96.3 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | trans | 41.7 | 85.9 | 135.3 | -58.2 | 1.4 | 0 | 0 | 0 | 115.1 | Y1367 | N1365-Y1367 PolarHBondContact O-N 3.26Š| ||
| 1366 | C | 31 | Very low | 41.3 | Very low | 101 Ų | 101 | 104.6 Ų | 104.6 | 68% | 0.682 | 53% | 0.526 | S | S | * | . | trans | -91.9 | 90.3 | 168.9 | -151.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1367 | Y | 29 | Very low | 39.8 | Very low | 149 Ų | 149 | 108.6 Ų | 108.6 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | trans | -88.2 | 136.2 | 157 | -88.3 | -76.1 | 0 | 0 | 0 | 108.7 | Y1323 N1365 | Y1323-Y1367 HydrophobicContact CE2-CE2 4.38Å; Y1323-Y1367 AromaticContact CZ-CE2 3.94Å; Y1323-Y1367 WeakPolarHBondContact OH-CE2 3.39Å; Y1323-Y1367 PolarHBondContact OH-OH 2.89Å; N1365-Y1367 PolarHBondContact O-N 3.26Å | ||
| 1368 | D | 30.4 | Very low | 38.1 | Very low | 134 Ų | 134 | 111.4 Ų | 111.4 | 72% | 0.717 | 57% | 0.569 | S | S | * | * | trans | 59.2 | 60.6 | 157.7 | -65.3 | -20.3 | 0 | 0 | 0 | 119.6 | Q1370 | D1368-Q1370 VanDerWaalsContact C-N 3.28Å; D1368-Q1370 PolarHBondContact O-N 2.67Å | ||
| 1369 | Y | 32 | Very low | 36.9 | Very low | 184 Ų | 184 | 115.7 Ų | 115.7 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | trans | -87.9 | 68.6 | 142.2 | -95.9 | -89.2 | 0 | 0 | 0 | 109.8 | ||||
| 1370 | Q | 32.4 | Very low | 36.6 | Very low | 145 Ų | 145 | 117.3 Ų | 117.3 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | trans | -92.4 | -0.9 | 162 | -79.8 | -150.1 | 1.7 | 0 | 0 | 113.5 | D1368 | D1368-Q1370 VanDerWaalsContact C-N 3.28Å; D1368-Q1370 PolarHBondContact O-N 2.67Å | ||
| 1371 | N | 29.8 | Very low | 36.9 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -97.2 | 122.2 | 173.6 | -74.2 | -27.6 | 0 | 0 | 0 | 111.2 | ||
| 1372 | E | 35.4 | Very low | 38.3 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 60% | 0.603 | 62% | 0.623 | S | S | * | * | trans | 84.9 | 57.7 | 169.6 | -52.3 | -157 | 164.2 | 0 | 0 | 117.6 | I1374 | E1372-I1374 HydrophobicContact CB-CD1 3.92Å; E1372-I1374 HydrophobicContact CB-CG1 3.99Å; E1372-I1374 HydrophobicContact CG-CD1 4.02Å; E1372-I1374 HydrophobicContact CG-CG1 4.48Å; E1372-I1374 PolarHBondContact O-N 2.96Å; E1372-I1374 WeakPolarHBondContact OE2-CD1 2.78Å | ||
| 1373 | R | 35.5 | Very low | 40.6 | Very low | 197 Ų | 197 | 115.3 Ų | 115.3 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | trans | -60.5 | 46 | 153.4 | -66.4 | 179.5 | 172.2 | 177.8 | -1.4 | 113.4 | F1375 | R1373-F1375 PolarHBondContact O-N 3.07Š| ||
| 1374 | I | 45.3 | Very low | 43.1 | Very low | 67 Ų | 67 | 111.7 Ų | 111.7 | 34% | 0.344 | 58% | 0.581 | S | S | . | * | trans | -75.6 | -19.9 | -171.1 | -65.8 | 176.8 | 0 | 0 | 0 | 113 | E1372 | E1372-I1374 HydrophobicContact CB-CD1 3.92Å; E1372-I1374 HydrophobicContact CB-CG1 3.99Å; E1372-I1374 HydrophobicContact CG-CD1 4.02Å; E1372-I1374 HydrophobicContact CG-CG1 4.48Å; E1372-I1374 PolarHBondContact O-N 2.96Å; E1372-I1374 WeakPolarHBondContact OE2-CD1 2.78Å | ||
| 1375 | F | 43.1 | Very low | 45.7 | Very low | 75 Ų | 75 | 109.9 Ų | 109.9 | 33% | 0.329 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -125.3 | 12.7 | -176.7 | -69.7 | -74.2 | 0 | 0 | 0 | 116.5 | R1373 S1377 | R1373-F1375 PolarHBondContact O-N 3.07Å; F1375-S1377 VanDerWaalsContact C-N 3.33Å; F1375-S1377 PolarHBondContact O-N 3.35Å |
| 1376 | H | 38.7 | Very low | 48.5 | Very low | 174 Ų | 174 | 108.1 Ų | 108.1 | 81% | 0.806 | 56% | 0.56 | S | S | * | * | trans | -78 | -1.6 | -174.2 | -99.7 | -50.7 | 0 | 0 | 0 | 116.8 | ||||
| 1377 | S | 38.8 | Very low | 51.5 | Low | 114 Ų | 114 | 103.3 Ų | 103.3 | 80% | 0.797 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -104.4 | 45.5 | -179.8 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | F1375 | F1375-S1377 VanDerWaalsContact C-N 3.33Å; F1375-S1377 PolarHBondContact O-N 3.35Å |
| 1378 | L | 40.8 | Very low | 54.6 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 34% | 0.335 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -133.5 | 110.9 | 177.3 | -72.1 | 156.9 | 0 | 0 | 0 | 109 | D1289 T1380 | D1289-L1378 WeakPolarHBondContact OD2-CD1 3.16Å; D1289-L1378 VanDerWaalsContact OD2-CD2 3.24Å; D1289-L1378 WeakPolarHBondContact OD2-CD2 3.39Å; L1378-T1380 PolarHBondContact O-N 3.19Å |
| 1379 | S | 45.8 | Very low | 57.7 | Low | 102 Ų | 102 | 93.7 Ų | 93.7 | 71% | 0.713 | 49% | 0.488 | S | S | * | . | trans | -51.5 | 115.8 | 177 | 60.4 | 0 | 0 | 0 | 0 | 109.7 | D1381 | S1379-D1381 PolarHBondContact O-N 3.3Š| ||
| 1380 | T | 48.7 | Very low | 60.8 | Low | 74 Ų | 74 | 85 Ų | 85 | 45% | 0.454 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.8 | -175.1 | 42.3 | 0 | 0 | 0 | 0 | 113.6 | L1378 S1382 | L1378-T1380 PolarHBondContact O-N 3.19Å; T1380-S1382 PolarHBondContact O-N 3.06Å |
| 1381 | D | 55.7 | Low | 63.9 | Low | 126 Ų | 126 | 78.7 Ų | 78.7 | 67% | 0.674 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -3.8 | -153.7 | -66.7 | -2.9 | 0 | 0 | 0 | 115.3 | S1379 N1410 | S1379-D1381 PolarHBondContact O-N 3.3Å; D1381-N1410 PolarHBondContact O-ND2 2.96Å |
| 1382 | S | 66.8 | Low | 67 | Low | 94 Ų | 94 | 72 Ų | 72 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -128.2 | -5.2 | -178.1 | 68.1 | 0 | 0 | 0 | 0 | 116.4 | T1380 V1384 | T1380-S1382 PolarHBondContact O-N 3.06Å; S1382-V1384 PolarHBondContact O-N 3.33Å |
| 1383 | F | 78.9 | Confident | 69.6 | Low | 56 Ų | 56 | 66.1 Ų | 66.1 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | trans | -73.4 | 126 | -176.5 | 179.1 | -111.7 | 0 | 0 | 0 | 111.5 | L1341 K1342 P1345 N1410 C1411 | L1341-F1383 HydrophobicContact CB-CE1 4.21Å; L1341-F1383 VanDerWaalsContact O-CZ 3.31Å; L1341-F1383 WeakPolarHBondContact O-CZ 3.45Å; K1342-F1383 HydrophobicContact CB-CE1 4.44Å; K1342-F1383 HydrophobicContact CG-CD1 3.79Å; K1342-F1383 HydrophobicContact CG-CE1 3.77Å; K1342-F1383 HydrophobicContact CG-CG 4.4Å; K1342-F1383 HydrophobicContact CG-CZ 4.36Å; P1345-F1383 HydrophobicContact CB-CZ 4.45Å; F1383-N1410 CarbonylContact O-C 3.35Å; F1383-C1411 HydrophobicContact CD1-CB 3.78Å; F1383-C1411 HydrophobicContact CE1-CB 4.14Å; F1383-C1411 WeakPolarHBondContact O-CA 3.36Å; F1383-C1411 PolarHBondContact O-N 3.48Å | ||
| 1384 | V | 82.3 | Confident | 71.9 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | trans | -120.4 | 123.1 | 173.7 | -179.1 | 0 | 0 | 0 | 0 | 108 | S1382 K1413 A1414 | S1382-V1384 PolarHBondContact O-N 3.33Å; V1384-K1413 HydrophobicContact CG1-CB 3.96Å; V1384-K1413 HydrophobicContact CG2-CB 4.4Å; V1384-K1413 HydrophobicContact CG2-CD 4.14Å; V1384-A1414 HydrophobicContact CG1-CB 4.44Å | ||
| 1385 | S | 87.1 | Confident | 73.7 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -86.6 | 169.6 | 179.9 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | L1387 C1411 A1414 | S1385-L1387 PolarHBondContact O-N 2.83Å; S1385-L1387 WeakPolarHBondContact OG-CB 3.49Å; S1385-L1387 PolarHBondContact OG-N 3.39Å; S1385-L1387 VanDerWaalsContact OG-N 3.16Å; S1385-C1411 VanDerWaalsContact CB-O 3.31Å; S1385-C1411 WeakPolarHBondContact CB-O 3.28Å; S1385-C1411 PolarHBondContact N-O 3.09Å; S1385-C1411 PolarHBondContact OG-O 2.86Å; S1385-A1414 WeakPolarHBondContact O-CB 3.35Å | ||
| 1386 | C | 90.1 | Very high | 75.4 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 43% | 0.432 | 33% | 0.327 | S | S | . | . | trans | -81 | 4.1 | 169.6 | -64.3 | 0 | 0 | 0 | 0 | 113.9 | P1345 L1347 N1348 S1388 | P1345-C1386 VanDerWaalsContact O-CB 3.3Å; P1345-C1386 WeakPolarHBondContact O-CB 3.32Å; P1345-C1386 PolarHBondContact O-N 3.47Å; P1345-C1386 PolarHBondContact O-SG 2.9Å; L1347-C1386 CarbonylContact O-C 3.57Å; N1348-C1386 PolarHBondContact OD1-O 2.9Å; C1386-S1388 PolarHBondContact O-N 2.83Å | ||
| 1387 | L | 94.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -61.7 | 114.7 | -172.7 | -169.3 | 73.5 | 0 | 0 | 0 | 110.8 | L1341 L1347 F1350 S1385 E1389 L1390 L1412 A1414 L1415 | L1341-L1387 HydrophobicContact CD1-CD2 4.23Å; L1341-L1387 HydrophobicContact CD2-CB 3.81Å; L1341-L1387 HydrophobicContact CD2-CD1 4.17Å; L1341-L1387 HydrophobicContact CD2-CD2 4.08Å; L1341-L1387 HydrophobicContact CD2-CG 4.23Å; L1347-L1387 HydrophobicContact CD2-CD1 4.29Å; L1347-L1387 HydrophobicContact CG-CD1 4.22Å; L1347-L1387 WeakPolarHBondContact O-CA 3.42Å; L1347-L1387 PolarHBondContact O-N 3.36Å; F1350-L1387 HydrophobicContact CB-CD1 3.57Å; F1350-L1387 HydrophobicContact CB-CD2 4.48Å; S1385-L1387 PolarHBondContact O-N 2.83Å; S1385-L1387 WeakPolarHBondContact OG-CB 3.49Å; S1385-L1387 PolarHBondContact OG-N 3.39Å; S1385-L1387 VanDerWaalsContact OG-N 3.16Å; L1387-E1389 WeakPolarHBondContact CD1-O 3.35Å; L1387-L1390 HydrophobicContact CD2-CB 4.06Å; L1387-L1390 HydrophobicContact CD2-CD1 4.27Å; L1387-L1412 HydrophobicContact CD2-CD2 3.57Å; L1387-A1414 CarbonylContact O-C 3.49Å; L1387-L1415 HydrophobicContact CD2-CD1 4.11Å; L1387-L1415 HydrophobicContact CG-CD1 4.18Å; L1387-L1415 WeakPolarHBondContact O-CA 3.31Å; L1387-L1415 PolarHBondContact O-N 3.49Å; L1387-L1415 VanDerWaalsContact O-N 3.13Å | ||
| 1388 | S | 93.6 | Very high | 79.4 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | trans | -102.8 | -28.2 | -178.4 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | N1348 C1386 K1416 C1417 | N1348-S1388 CarbonylContact O-C 3.56Å; N1348-S1388 WeakPolarHBondContact O-CA 3.44Å; N1348-S1388 PolarHBondContact O-N 3.29Å; N1348-S1388 PolarHBondContact O-OG 2.67Å; C1386-S1388 PolarHBondContact O-N 2.83Å; S1388-K1416 CarbonylContact O-C 3.6Å; S1388-K1416 WeakPolarHBondContact O-CA 3.33Å; S1388-K1416 PolarHBondContact O-N 2.81Å; S1388-C1417 PolarHBondContact O-N 2.96Å | ||
| 1389 | E | 97.2 | Very high | 81.5 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 127 | -177.5 | -179.6 | 161.2 | -147 | 0 | 0 | 111.4 | N1348 Y1349 F1350 L1387 C1417 R1419 | N1348-E1389 PolarHBondContact O-N 2.92Å; Y1349-E1389 WeakPolarHBondContact CA-O 3.42Å; Y1349-E1389 HydrophobicContact CD2-CB 3.99Å; Y1349-E1389 HydrophobicContact CD2-CG 3.66Å; Y1349-E1389 WeakPolarHBondContact CD2-OE2 3.36Å; Y1349-E1389 HydrophobicContact CE2-CG 4.02Å; F1350-E1389 PolarHBondContact N-O 3.2Å; L1387-E1389 WeakPolarHBondContact CD1-O 3.35Å; E1389-C1417 WeakPolarHBondContact CA-O 3.08Å; E1389-C1417 HydrophobicContact CB-CB 3.94Å; E1389-C1417 HydrophobicContact CG-CB 3.81Å; E1389-C1417 PolarHBondContact OE1-SG 2.96Å; E1389-R1419 IonicContact OE1-CZ 3.86Å; E1389-R1419 IonicContact OE1-NE 4Å; E1389-R1419 PolarHBondContact OE1-NE 3.33Å; E1389-R1419 IonicContact OE1-NH1 3.78Å; E1389-R1419 IonicContact OE1-NH2 2.86Å; E1389-R1419 PolarHBondContact OE1-NH2 3.47Å |
| 1390 | L | 97 | Very high | 83.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.3 | 178.3 | -178.4 | 60.9 | 0 | 0 | 0 | 109.6 | F1350 L1387 L1392 L1406 L1415 C1417 L1418 R1419 | F1350-L1390 HydrophobicContact CB-CD1 4.13Å; F1350-L1390 HydrophobicContact CD1-CD1 4Å; F1350-L1390 HydrophobicContact CG-CD1 4.31Å; F1350-L1390 WeakPolarHBondContact O-CA 3.18Å; L1387-L1390 HydrophobicContact CD2-CB 4.06Å; L1387-L1390 HydrophobicContact CD2-CD1 4.27Å; L1390-L1392 HydrophobicContact CD1-CD2 3.97Å; L1390-L1392 HydrophobicContact CD1-CG 4.45Å; L1390-L1392 HydrophobicContact CD2-CD1 4.13Å; L1390-L1392 HydrophobicContact CD2-CD2 4.29Å; L1390-L1392 HydrophobicContact CD2-CG 4.18Å; L1390-L1392 HydrophobicContact CG-CD1 4.46Å; L1390-L1392 HydrophobicContact CG-CD2 4.04Å; L1390-L1392 HydrophobicContact CG-CG 3.97Å; L1390-L1406 HydrophobicContact CD2-CD2 4.26Å; L1390-L1415 HydrophobicContact CB-CD1 3.6Å; L1390-L1415 HydrophobicContact CB-CD2 4.29Å; L1390-C1417 PolarHBondContact N-O 3.47Å; L1390-L1418 HydrophobicContact CB-CD1 4.28Å; L1390-L1418 HydrophobicContact CD2-CD1 4.26Å; L1390-L1418 HydrophobicContact CG-CD1 4.31Å; L1390-L1418 WeakPolarHBondContact O-CA 3.36Å; L1390-R1419 PolarHBondContact O-N 3.37Å |
| 1391 | D | 96.4 | Very high | 85.1 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 112.5 | 176.3 | -161.9 | -21.4 | 0 | 0 | 0 | 110.2 | F1350 N1351 L1352 A1353 S1393 R1419 | F1350-D1391 PolarHBondContact O-N 2.77Å; N1351-D1391 HydrophobicContact CB-CB 4.22Å; L1352-D1391 CarbonylContact C-O 3.58Å; L1352-D1391 PolarHBondContact N-O 3.45Å; A1353-D1391 PolarHBondContact N-O 3.12Å; D1391-S1393 WeakPolarHBondContact OD1-CB 3.47Å; D1391-S1393 PolarHBondContact OD1-N 3.32Å; D1391-S1393 PolarHBondContact OD1-OG 3.44Å; D1391-R1419 HydrophobicContact CB-CB 4.38Å; D1391-R1419 WeakPolarHBondContact OD2-CD 3.28Å; D1391-R1419 IonicContact OD2-NH1 3.71Å; D1391-R1419 PolarHBondContact OD2-NH1 3.04Å |
| 1392 | L | 94.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -112.7 | 12.8 | 178 | -59.8 | -178.6 | 0 | 0 | 0 | 111.9 | W1333 L1352 L1357 L1390 N1395 I1398 L1406 L1418 R1419 L1420 C1423 | W1333-L1392 HydrophobicContact CH2-CD1 4.5Å; W1333-L1392 HydrophobicContact CZ3-CD1 4.46Å; L1352-L1392 HydrophobicContact CB-CD2 4.1Å; L1352-L1392 HydrophobicContact CD1-CD2 4.16Å; L1357-L1392 HydrophobicContact CD1-CD2 3.93Å; L1390-L1392 HydrophobicContact CD1-CD2 3.97Å; L1390-L1392 HydrophobicContact CD1-CG 4.45Å; L1390-L1392 HydrophobicContact CD2-CD1 4.13Å; L1390-L1392 HydrophobicContact CD2-CD2 4.29Å; L1390-L1392 HydrophobicContact CD2-CG 4.18Å; L1390-L1392 HydrophobicContact CG-CD1 4.46Å; L1390-L1392 HydrophobicContact CG-CD2 4.04Å; L1390-L1392 HydrophobicContact CG-CG 3.97Å; L1392-N1395 PolarHBondContact O-ND2 3.27Å; L1392-I1398 HydrophobicContact CB-CD1 4.13Å; L1392-I1398 HydrophobicContact CD1-CD1 4.31Å; L1392-L1406 HydrophobicContact CD1-CD2 3.76Å; L1392-L1418 HydrophobicContact CD1-CD1 4.28Å; L1392-L1418 HydrophobicContact CG-CD1 4.47Å; L1392-R1419 PolarHBondContact N-O 3.08Å; L1392-L1420 HydrophobicContact CB-CD2 4.03Å; L1392-L1420 HydrophobicContact CD1-CD2 4.23Å; L1392-C1423 PolarHBondContact O-SG 3.3Å | ||
| 1393 | S | 90.2 | Very high | 87.7 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 150.3 | -173.8 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | A1353 G1354 D1391 N1395 R1419 R1421 | A1353-S1393 CarbonylContact C-O 3.55Å; A1353-S1393 WeakPolarHBondContact CA-O 3.22Å; A1353-S1393 WeakPolarHBondContact CB-O 3.47Å; G1354-S1393 PolarHBondContact N-O 2.89Å; D1391-S1393 WeakPolarHBondContact OD1-CB 3.47Å; D1391-S1393 PolarHBondContact OD1-N 3.32Å; D1391-S1393 PolarHBondContact OD1-OG 3.44Å; S1393-N1395 VanDerWaalsContact C-N 3.28Å; S1393-N1395 PolarHBondContact O-N 2.81Å; S1393-N1395 PolarHBondContact O-ND2 2.96Å; S1393-R1419 PolarHBondContact N-O 3.37Å; S1393-R1421 CarbonylContact C-O 3.44Å; S1393-R1421 VanDerWaalsContact CA-O 3.25Å; S1393-R1421 WeakPolarHBondContact CA-O 3.47Å; S1393-R1421 WeakPolarHBondContact CB-O 3.47Å; S1393-R1421 PolarHBondContact OG-N 3.43Å |
| 1394 | W | 84.7 | Confident | 88.1 | Confident | 114 Ų | 114 | 34 Ų | 34 | 43% | 0.432 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 29.2 | 176.7 | -48.9 | 109.3 | 0 | 0 | 0 | 115.1 | P1396 R1421 H1501 | W1394-P1396 VanDerWaalsContact O-CD 3.22Å; W1394-P1396 WeakPolarHBondContact O-CD 3.4Å; W1394-R1421 PolarHBondContact N-O 2.87Å; W1394-H1501 HydrophobicContact CH2-CB 4.41Å |
| 1395 | N | 83.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -111.4 | 74.5 | 167.3 | -66.9 | -71.4 | 0 | 0 | 0 | 109.9 | L1352 G1354 C1355 S1356 L1357 L1392 S1393 Q1397 I1398 | L1352-N1395 PolarHBondContact O-ND2 2.93Å; G1354-N1395 PolarHBondContact N-ND2 2.89Å; C1355-N1395 PolarHBondContact N-OD1 3.28Å; S1356-N1395 PolarHBondContact N-OD1 2.76Å; L1357-N1395 HydrophobicContact CB-CB 3.96Å; L1357-N1395 HydrophobicContact CG-CB 4.47Å; L1357-N1395 WeakPolarHBondContact CG-OD1 3.49Å; L1357-N1395 PolarHBondContact N-OD1 3.02Å; L1392-N1395 PolarHBondContact O-ND2 3.27Å; S1393-N1395 VanDerWaalsContact C-N 3.28Å; S1393-N1395 PolarHBondContact O-N 2.81Å; S1393-N1395 PolarHBondContact O-ND2 2.96Å; N1395-Q1397 PolarHBondContact O-N 2.64Å; N1395-Q1397 VanDerWaalsContact O-N 3.08Å; N1395-I1398 HydrophobicContact CB-CD1 3.54Å; N1395-I1398 HydrophobicContact CB-CG1 3.83Å; N1395-I1398 WeakPolarHBondContact O-CG1 3.07Å; N1395-I1398 PolarHBondContact O-N 3.19Å | ||
| 1396 | P | 77.8 | Confident | 88.4 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 25% | 0.247 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.9 | -171.1 | 29 | -37.6 | 0 | 0 | 0 | 113.9 | W1394 I1398 T1425 | W1394-P1396 VanDerWaalsContact O-CD 3.22Å; W1394-P1396 WeakPolarHBondContact O-CD 3.4Å; P1396-I1398 VanDerWaalsContact C-N 3.34Å; P1396-T1425 HydrophobicContact CB-CG2 4.01Å; P1396-T1425 VanDerWaalsContact O-CG2 3.27Å; P1396-T1425 WeakPolarHBondContact O-CG2 3.45Å |
| 1397 | Q | 76.9 | Confident | 88.4 | Confident | 75 Ų | 75 | 31.3 Ų | 31.3 | 35% | 0.35 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.7 | 179.8 | -55.1 | 91.4 | -26 | 0 | 0 | 114 | T1359 N1395 S1399 | T1359-Q1397 HydrophobicContact CG2-CB 3.99Å; T1359-Q1397 HydrophobicContact CG2-CG 3.6Å; N1395-Q1397 PolarHBondContact O-N 2.64Å; N1395-Q1397 VanDerWaalsContact O-N 3.08Å; Q1397-S1399 PolarHBondContact O-N 3.14Å; Q1397-S1399 VanDerWaalsContact O-N 3.08Å |
| 1398 | I | 84.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -63.2 | 112 | 175.3 | -65.2 | 175 | 0 | 0 | 0 | 109.5 | W1333 L1357 L1392 N1395 P1396 L1403 F1475 | W1333-I1398 HydrophobicContact CH2-CD1 4.34Å; W1333-I1398 HydrophobicContact CH2-CG2 4.46Å; W1333-I1398 HydrophobicContact CZ2-CG1 4.21Å; W1333-I1398 HydrophobicContact CZ2-CG2 4.22Å; L1357-I1398 HydrophobicContact CB-CD1 4.19Å; L1357-I1398 HydrophobicContact CB-CG1 4.08Å; L1392-I1398 HydrophobicContact CB-CD1 4.13Å; L1392-I1398 HydrophobicContact CD1-CD1 4.31Å; N1395-I1398 HydrophobicContact CB-CD1 3.54Å; N1395-I1398 HydrophobicContact CB-CG1 3.83Å; N1395-I1398 WeakPolarHBondContact O-CG1 3.07Å; N1395-I1398 PolarHBondContact O-N 3.19Å; P1396-I1398 VanDerWaalsContact C-N 3.34Å; I1398-L1403 HydrophobicContact CG2-CB 4.28Å; I1398-F1475 WeakPolarHBondContact O-CE1 3.44Å; I1398-F1475 WeakPolarHBondContact O-CZ 3.47Å | ||
| 1399 | S | 84.4 | Confident | 87.8 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 23% | 0.231 | 17% | 0.173 | C | C | . | . | trans | -74.7 | 152.6 | 177.3 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | Q1397 N1401 Q1402 L1403 | Q1397-S1399 PolarHBondContact O-N 3.14Å; Q1397-S1399 VanDerWaalsContact O-N 3.08Å; S1399-N1401 PolarHBondContact O-N 3.41Å; S1399-Q1402 PolarHBondContact O-N 3.07Å; S1399-Q1402 VanDerWaalsContact O-N 3.09Å; S1399-Q1402 WeakPolarHBondContact OG-CB 3.49Å; S1399-Q1402 VanDerWaalsContact OG-CG 3.23Å; S1399-Q1402 WeakPolarHBondContact OG-CG 3.22Å; S1399-Q1402 PolarHBondContact OG-N 3.39Å; S1399-Q1402 PolarHBondContact OG-OE1 3.2Å; S1399-L1403 PolarHBondContact O-N 3.02Å | ||
| 1400 | P | 86.2 | Confident | 87.3 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.6 | -34.7 | 174.2 | -25.6 | 33.8 | 0 | 0 | 0 | 113.2 | L1403 S1404 F1475 Q1478 S1482 | P1400-L1403 PolarHBondContact O-N 2.96Å; P1400-S1404 WeakPolarHBondContact O-CB 3.28Å; P1400-S1404 PolarHBondContact O-N 3.15Å; P1400-F1475 HydrophobicContact CG-CE2 4.5Å; P1400-Q1478 HydrophobicContact CB-CB 4.4Å; P1400-Q1478 HydrophobicContact CG-CB 3.76Å; P1400-S1482 WeakPolarHBondContact CB-OG 3.27Å |
| 1401 | N | 83.7 | Confident | 86.8 | Confident | 132 Ų | 132 | 33.5 Ų | 33.5 | 71% | 0.706 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -67.2 | -43.9 | 176.3 | -69.1 | -16.2 | 0 | 0 | 0 | 112.1 | S1399 S1404 Y1405 | S1399-N1401 PolarHBondContact O-N 3.41Å; N1401-S1404 PolarHBondContact O-N 3.2Å; N1401-Y1405 WeakPolarHBondContact O-CB 3.35Å; N1401-Y1405 PolarHBondContact O-N 3.5Å |
| 1402 | Q | 87.1 | Confident | 86.5 | Confident | 11 Ų | 11 | 33 Ų | 33 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 174.9 | -78.5 | 169 | -35.8 | 0 | 0 | 111.3 | D1330 W1333 I1334 S1399 Y1405 L1406 | D1330-Q1402 PolarHBondContact O-NE2 3.32Å; W1333-Q1402 HydrophobicContact CZ2-CB 4.06Å; I1334-Q1402 HydrophobicContact CD1-CB 4.02Å; I1334-Q1402 HydrophobicContact CD1-CG 4.28Å; I1334-Q1402 WeakPolarHBondContact CD1-O 3.41Å; S1399-Q1402 PolarHBondContact O-N 3.07Å; S1399-Q1402 VanDerWaalsContact O-N 3.09Å; S1399-Q1402 WeakPolarHBondContact OG-CB 3.49Å; S1399-Q1402 VanDerWaalsContact OG-CG 3.23Å; S1399-Q1402 WeakPolarHBondContact OG-CG 3.22Å; S1399-Q1402 PolarHBondContact OG-N 3.39Å; S1399-Q1402 PolarHBondContact OG-OE1 3.2Å; Q1402-Y1405 PolarHBondContact O-N 3.43Å; Q1402-L1406 WeakPolarHBondContact O-CB 3.49Å; Q1402-L1406 PolarHBondContact O-N 3.38Å |
| 1403 | L | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.1 | -178.3 | 63.9 | 0 | 0 | 0 | 111.4 | I1398 S1399 P1400 Y1405 L1406 L1407 L1420 L1479 L1483 | I1398-L1403 HydrophobicContact CG2-CB 4.28Å; S1399-L1403 PolarHBondContact O-N 3.02Å; P1400-L1403 PolarHBondContact O-N 2.96Å; L1403-Y1405 VanDerWaalsContact C-N 3.25Å; L1403-Y1405 PolarHBondContact O-N 2.97Å; L1403-L1406 HydrophobicContact CD1-CD2 4.42Å; L1403-L1406 PolarHBondContact O-N 2.92Å; L1403-L1407 HydrophobicContact CD1-CD1 4.07Å; L1403-L1407 HydrophobicContact CD1-CD2 4.5Å; L1403-L1407 HydrophobicContact CD1-CG 4.05Å; L1403-L1407 HydrophobicContact CD2-CD1 4.46Å; L1403-L1407 HydrophobicContact CG-CD1 3.91Å; L1403-L1407 HydrophobicContact CG-CG 4.27Å; L1403-L1407 WeakPolarHBondContact O-CB 3.49Å; L1403-L1407 VanDerWaalsContact O-CG 3.28Å; L1403-L1407 WeakPolarHBondContact O-CG 3.44Å; L1403-L1407 PolarHBondContact O-N 3.02Å; L1403-L1420 HydrophobicContact CD1-CD2 4.39Å; L1403-L1420 HydrophobicContact CD2-CD1 4.05Å; L1403-L1479 HydrophobicContact CD2-CD1 4.3Å; L1403-L1479 HydrophobicContact CD2-CD2 3.69Å; L1403-L1479 HydrophobicContact CD2-CG 3.6Å; L1403-L1483 HydrophobicContact CD2-CB 4.44Å |
| 1404 | S | 88 | Confident | 86.2 | Confident | 52 Ų | 52 | 39.5 Ų | 39.5 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -37.6 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 112 | P1400 N1401 S1408 | P1400-S1404 WeakPolarHBondContact O-CB 3.28Å; P1400-S1404 PolarHBondContact O-N 3.15Å; N1401-S1404 PolarHBondContact O-N 3.2Å; S1404-S1408 PolarHBondContact O-N 3.36Å |
| 1405 | Y | 86.1 | Confident | 86.6 | Confident | 84 Ų | 84 | 34 Ų | 34 | 33% | 0.329 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.6 | -47.2 | 176.6 | -178.5 | -105.1 | 0 | 0 | 0 | 111.2 | K1331 I1334 N1401 Q1402 L1403 L1407 S1408 | K1331-Y1405 HydrophobicContact CD-CE1 4.31Å; K1331-Y1405 HydrophobicContact CG-CE1 4.42Å; I1334-Y1405 HydrophobicContact CB-CD1 4.38Å; I1334-Y1405 HydrophobicContact CB-CE1 4.45Å; I1334-Y1405 HydrophobicContact CD1-CD1 3.69Å; I1334-Y1405 HydrophobicContact CG2-CD1 3.75Å; I1334-Y1405 HydrophobicContact CG2-CE1 3.77Å; N1401-Y1405 WeakPolarHBondContact O-CB 3.35Å; N1401-Y1405 PolarHBondContact O-N 3.5Å; Q1402-Y1405 PolarHBondContact O-N 3.43Å; L1403-Y1405 VanDerWaalsContact C-N 3.25Å; L1403-Y1405 PolarHBondContact O-N 2.97Å; Y1405-L1407 VanDerWaalsContact C-N 3.34Å; Y1405-L1407 PolarHBondContact O-N 3.29Å; Y1405-S1408 WeakPolarHBondContact O-CB 3.5Å; Y1405-S1408 PolarHBondContact O-N 3.4Å; Y1405-S1408 PolarHBondContact O-OG 2.8Å |
| 1406 | L | 90 | Very high | 87.1 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.6 | -51.3 | 174.4 | -179.5 | 72.6 | 0 | 0 | 0 | 111 | W1333 I1334 I1337 L1390 L1392 Q1402 L1403 S1408 M1409 L1412 | W1333-L1406 HydrophobicContact CH2-CD2 3.9Å; W1333-L1406 HydrophobicContact CZ3-CD1 4.28Å; W1333-L1406 HydrophobicContact CZ3-CD2 3.94Å; I1334-L1406 HydrophobicContact CD1-CB 4.45Å; I1334-L1406 HydrophobicContact CG2-CB 4.42Å; I1334-L1406 HydrophobicContact CG2-CD1 3.87Å; I1337-L1406 HydrophobicContact CD1-CD1 3.95Å; L1390-L1406 HydrophobicContact CD2-CD2 4.26Å; L1392-L1406 HydrophobicContact CD1-CD2 3.76Å; Q1402-L1406 WeakPolarHBondContact O-CB 3.49Å; Q1402-L1406 PolarHBondContact O-N 3.38Å; L1403-L1406 HydrophobicContact CD1-CD2 4.42Å; L1403-L1406 PolarHBondContact O-N 2.92Å; L1406-S1408 PolarHBondContact O-N 3.29Å; L1406-S1408 VanDerWaalsContact O-N 3.13Å; L1406-M1409 HydrophobicContact CD1-SD 3.94Å; L1406-M1409 VanDerWaalsContact O-CB 3.32Å; L1406-M1409 WeakPolarHBondContact O-CB 3.45Å; L1406-M1409 WeakPolarHBondContact O-CG 3.41Å; L1406-M1409 PolarHBondContact O-N 2.86Å; L1406-L1412 HydrophobicContact CD1-CD1 3.68Å; L1406-L1412 HydrophobicContact CD2-CD1 4.39Å; L1406-L1412 HydrophobicContact CG-CD1 3.63Å; L1406-L1412 WeakPolarHBondContact O-CD1 3.17Å |
| 1407 | L | 90 | Very high | 88 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -11.5 | -179.6 | -63 | 177.1 | 0 | 0 | 0 | 114.2 | L1403 Y1405 L1418 L1483 A1486 I1492 | L1403-L1407 HydrophobicContact CD1-CD1 4.07Å; L1403-L1407 HydrophobicContact CD1-CD2 4.5Å; L1403-L1407 HydrophobicContact CD1-CG 4.05Å; L1403-L1407 HydrophobicContact CD2-CD1 4.46Å; L1403-L1407 HydrophobicContact CG-CD1 3.91Å; L1403-L1407 HydrophobicContact CG-CG 4.27Å; L1403-L1407 WeakPolarHBondContact O-CB 3.49Å; L1403-L1407 VanDerWaalsContact O-CG 3.28Å; L1403-L1407 WeakPolarHBondContact O-CG 3.44Å; L1403-L1407 PolarHBondContact O-N 3.02Å; Y1405-L1407 VanDerWaalsContact C-N 3.34Å; Y1405-L1407 PolarHBondContact O-N 3.29Å; L1407-L1418 HydrophobicContact CD2-CD2 3.96Å; L1407-L1483 HydrophobicContact CD1-CB 4.3Å; L1407-L1483 HydrophobicContact CD1-CD1 4.41Å; L1407-L1483 HydrophobicContact CD1-CG 4.29Å; L1407-A1486 HydrophobicContact CB-CB 3.99Å; L1407-A1486 HydrophobicContact CD1-CB 3.99Å; L1407-I1492 HydrophobicContact CD2-CD1 3.61Å; L1407-I1492 HydrophobicContact CD2-CG2 4.49Å |
| 1408 | S | 86.9 | Confident | 89 | Confident | 58 Ų | 58 | 34 Ų | 34 | 41% | 0.406 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.8 | 173.5 | 76.1 | 0 | 0 | 0 | 0 | 113.4 | S1404 Y1405 L1406 | S1404-S1408 PolarHBondContact O-N 3.36Å; Y1405-S1408 WeakPolarHBondContact O-CB 3.5Å; Y1405-S1408 PolarHBondContact O-N 3.4Å; Y1405-S1408 PolarHBondContact O-OG 2.8Å; L1406-S1408 PolarHBondContact O-N 3.29Å; L1406-S1408 VanDerWaalsContact O-N 3.13Å |
| 1409 | M | 87.8 | Confident | 89.6 | Confident | 21 Ų | 21 | 37.7 Ų | 37.7 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | trans | -72.5 | 130.5 | -176.5 | -63.7 | 171.4 | 72.8 | 0 | 0 | 111.8 | I1334 E1338 L1406 C1411 L1412 | I1334-M1409 HydrophobicContact CG2-CE 4.22Å; I1334-M1409 HydrophobicContact CG2-SD 3.28Å; I1334-M1409 WeakPolarHBondContact CG2-SD 3.26Å; E1338-M1409 HydrophobicContact CB-CE 3.39Å; E1338-M1409 HydrophobicContact CG-CE 3.45Å; E1338-M1409 VanDerWaalsContact CG-CE 3.45Å; L1406-M1409 HydrophobicContact CD1-SD 3.94Å; L1406-M1409 VanDerWaalsContact O-CB 3.32Å; L1406-M1409 WeakPolarHBondContact O-CB 3.45Å; L1406-M1409 WeakPolarHBondContact O-CG 3.41Å; L1406-M1409 PolarHBondContact O-N 2.86Å; M1409-C1411 PolarHBondContact O-N 3.03Å; M1409-C1411 VanDerWaalsContact O-N 3.15Å; M1409-L1412 PolarHBondContact O-N 3.41Å; M1409-L1412 VanDerWaalsContact O-N 3.13Å | ||
| 1410 | N | 86.4 | Confident | 90 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 24% | 0.235 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -59.8 | -29 | 179.1 | -73.8 | -42.6 | 0 | 0 | 0 | 113.1 | D1381 F1383 L1412 K1413 | D1381-N1410 PolarHBondContact O-ND2 2.96Å; F1383-N1410 CarbonylContact O-C 3.35Å; N1410-L1412 PolarHBondContact O-N 3.41Å; N1410-K1413 WeakPolarHBondContact O-CB 3.46Å; N1410-K1413 WeakPolarHBondContact O-CG 3.21Å; N1410-K1413 PolarHBondContact O-N 3.09Å; N1410-K1413 WeakPolarHBondContact OD1-CE 3.41Å; N1410-K1413 PolarHBondContact OD1-NZ 3.34Å |
| 1411 | C | 87 | Confident | 90.3 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -63.4 | -23 | -179.8 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | L1341 F1383 S1385 M1409 | L1341-C1411 HydrophobicContact CD1-CB 4.24Å; F1383-C1411 HydrophobicContact CD1-CB 3.78Å; F1383-C1411 HydrophobicContact CE1-CB 4.14Å; F1383-C1411 WeakPolarHBondContact O-CA 3.36Å; F1383-C1411 PolarHBondContact O-N 3.48Å; S1385-C1411 VanDerWaalsContact CB-O 3.31Å; S1385-C1411 WeakPolarHBondContact CB-O 3.28Å; S1385-C1411 PolarHBondContact N-O 3.09Å; S1385-C1411 PolarHBondContact OG-O 2.86Å; M1409-C1411 PolarHBondContact O-N 3.03Å; M1409-C1411 VanDerWaalsContact O-N 3.15Å |
| 1412 | L | 90.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -95.8 | 7.5 | -179 | -66.8 | 179.2 | 0 | 0 | 0 | 113.9 | L1341 L1387 L1406 M1409 N1410 A1414 L1415 I1492 | L1341-L1412 HydrophobicContact CD1-CD2 3.79Å; L1387-L1412 HydrophobicContact CD2-CD2 3.57Å; L1406-L1412 HydrophobicContact CD1-CD1 3.68Å; L1406-L1412 HydrophobicContact CD2-CD1 4.39Å; L1406-L1412 HydrophobicContact CG-CD1 3.63Å; L1406-L1412 WeakPolarHBondContact O-CD1 3.17Å; M1409-L1412 PolarHBondContact O-N 3.41Å; M1409-L1412 VanDerWaalsContact O-N 3.13Å; N1410-L1412 PolarHBondContact O-N 3.41Å; L1412-A1414 PolarHBondContact O-N 3.42Å; L1412-A1414 VanDerWaalsContact O-N 3.11Å; L1412-L1415 WeakPolarHBondContact O-CB 3.25Å; L1412-L1415 PolarHBondContact O-N 2.8Å; L1412-I1492 HydrophobicContact CB-CD1 4.35Å |
| 1413 | K | 88.5 | Confident | 90.3 | Very high | 110 Ų | 110 | 32.2 Ų | 32.2 | 48% | 0.478 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.5 | 179.6 | -79.3 | 179.7 | 175.7 | 169.8 | 0 | 114.4 | V1384 N1410 L1415 | V1384-K1413 HydrophobicContact CG1-CB 3.96Å; V1384-K1413 HydrophobicContact CG2-CB 4.4Å; V1384-K1413 HydrophobicContact CG2-CD 4.14Å; N1410-K1413 WeakPolarHBondContact O-CB 3.46Å; N1410-K1413 WeakPolarHBondContact O-CG 3.21Å; N1410-K1413 PolarHBondContact O-N 3.09Å; N1410-K1413 WeakPolarHBondContact OD1-CE 3.41Å; N1410-K1413 PolarHBondContact OD1-NZ 3.34Å; K1413-L1415 VanDerWaalsContact C-N 3.34Å |
| 1414 | A | 89.4 | Confident | 89.4 | Confident | 34 Ų | 34 | 32.7 Ų | 32.7 | 28% | 0.281 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1384 S1385 L1387 L1412 K1416 | V1384-A1414 HydrophobicContact CG1-CB 4.44Å; S1385-A1414 WeakPolarHBondContact O-CB 3.35Å; L1387-A1414 CarbonylContact O-C 3.49Å; L1412-A1414 PolarHBondContact O-N 3.42Å; L1412-A1414 VanDerWaalsContact O-N 3.11Å; A1414-K1416 PolarHBondContact O-N 3.35Å |
| 1415 | L | 93.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -64.7 | 125.7 | -174.4 | -170.1 | 69.8 | 0 | 0 | 0 | 110.8 | L1387 L1390 L1412 K1413 C1417 L1418 I1492 L1494 | L1387-L1415 HydrophobicContact CD2-CD1 4.11Å; L1387-L1415 HydrophobicContact CG-CD1 4.18Å; L1387-L1415 WeakPolarHBondContact O-CA 3.31Å; L1387-L1415 PolarHBondContact O-N 3.49Å; L1387-L1415 VanDerWaalsContact O-N 3.13Å; L1390-L1415 HydrophobicContact CB-CD1 3.6Å; L1390-L1415 HydrophobicContact CB-CD2 4.29Å; L1412-L1415 WeakPolarHBondContact O-CB 3.25Å; L1412-L1415 PolarHBondContact O-N 2.8Å; K1413-L1415 VanDerWaalsContact C-N 3.34Å; L1415-C1417 WeakPolarHBondContact CD1-O 3.41Å; L1415-L1418 HydrophobicContact CD2-CB 4.25Å; L1415-L1418 HydrophobicContact CD2-CD1 4.47Å; L1415-I1492 HydrophobicContact CB-CD1 3.91Å; L1415-I1492 HydrophobicContact CB-CG1 4.38Å; L1415-I1492 HydrophobicContact CD2-CD1 3.75Å; L1415-I1492 HydrophobicContact CG-CD1 4.38Å; L1415-L1494 HydrophobicContact CB-CD2 4.41Å; L1415-L1494 HydrophobicContact CD2-CD2 3.99Å; L1415-L1494 HydrophobicContact CG-CD2 3.91Å | ||
| 1416 | K | 93.8 | Very high | 86.6 | Confident | 106 Ų | 106 | 33 Ų | 33 | 46% | 0.461 | 17% | 0.166 | S | C | . | . | trans | -112.7 | -29.6 | 179.7 | -67.5 | 177.4 | 178.7 | -178.5 | 0 | 112.6 | S1388 A1414 Q1495 I1496 | S1388-K1416 CarbonylContact O-C 3.6Å; S1388-K1416 WeakPolarHBondContact O-CA 3.33Å; S1388-K1416 PolarHBondContact O-N 2.81Å; A1414-K1416 PolarHBondContact O-N 3.35Å; K1416-Q1495 HydrophobicContact CB-CB 4.38Å; K1416-Q1495 HydrophobicContact CB-CG 4.32Å; K1416-Q1495 HydrophobicContact CG-CG 4.46Å; K1416-Q1495 WeakPolarHBondContact O-CA 3.47Å; K1416-Q1495 PolarHBondContact O-N 2.69Å; K1416-I1496 PolarHBondContact O-N 3.2Å | ||
| 1417 | C | 97.1 | Very high | 84.5 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.1 | -179.3 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | S1388 E1389 L1390 L1415 I1496 | S1388-C1417 PolarHBondContact O-N 2.96Å; E1389-C1417 WeakPolarHBondContact CA-O 3.08Å; E1389-C1417 HydrophobicContact CB-CB 3.94Å; E1389-C1417 HydrophobicContact CG-CB 3.81Å; E1389-C1417 PolarHBondContact OE1-SG 2.96Å; L1390-C1417 PolarHBondContact N-O 3.47Å; L1415-C1417 WeakPolarHBondContact CD1-O 3.41Å; C1417-I1496 WeakPolarHBondContact CA-O 3.48Å; C1417-I1496 HydrophobicContact CB-CB 4Å; C1417-I1496 HydrophobicContact CB-CD1 4.43Å |
| 1418 | L | 96.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.4 | 173.7 | 178.5 | 58.7 | 0 | 0 | 0 | 109.6 | L1390 L1392 L1407 L1415 L1420 L1483 L1494 I1496 D1498 | L1390-L1418 HydrophobicContact CB-CD1 4.28Å; L1390-L1418 HydrophobicContact CD2-CD1 4.26Å; L1390-L1418 HydrophobicContact CG-CD1 4.31Å; L1390-L1418 WeakPolarHBondContact O-CA 3.36Å; L1392-L1418 HydrophobicContact CD1-CD1 4.28Å; L1392-L1418 HydrophobicContact CG-CD1 4.47Å; L1407-L1418 HydrophobicContact CD2-CD2 3.96Å; L1415-L1418 HydrophobicContact CD2-CB 4.25Å; L1415-L1418 HydrophobicContact CD2-CD1 4.47Å; L1418-L1420 HydrophobicContact CD1-CG 4.3Å; L1418-L1420 HydrophobicContact CD2-CD1 3.84Å; L1418-L1420 HydrophobicContact CD2-CG 4.4Å; L1418-L1420 HydrophobicContact CG-CD1 3.96Å; L1418-L1420 HydrophobicContact CG-CG 4.04Å; L1418-L1483 HydrophobicContact CD2-CD1 3.69Å; L1418-L1494 HydrophobicContact CB-CD1 3.97Å; L1418-L1494 HydrophobicContact CB-CD2 3.93Å; L1418-L1494 HydrophobicContact CD2-CD1 4.12Å; L1418-I1496 PolarHBondContact N-O 2.85Å; L1418-D1498 PolarHBondContact O-N 3.42Å; L1418-D1498 VanDerWaalsContact O-N 3.09Å |
| 1419 | R | 96.6 | Very high | 79.6 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.1 | 176.8 | -54.6 | 178.7 | -173 | 166.5 | -2.2 | 110.6 | E1389 L1390 D1391 L1392 S1393 D1498 | E1389-R1419 IonicContact OE1-CZ 3.86Å; E1389-R1419 IonicContact OE1-NE 4Å; E1389-R1419 PolarHBondContact OE1-NE 3.33Å; E1389-R1419 IonicContact OE1-NH1 3.78Å; E1389-R1419 IonicContact OE1-NH2 2.86Å; E1389-R1419 PolarHBondContact OE1-NH2 3.47Å; L1390-R1419 PolarHBondContact O-N 3.37Å; D1391-R1419 HydrophobicContact CB-CB 4.38Å; D1391-R1419 WeakPolarHBondContact OD2-CD 3.28Å; D1391-R1419 IonicContact OD2-NH1 3.71Å; D1391-R1419 PolarHBondContact OD2-NH1 3.04Å; L1392-R1419 PolarHBondContact N-O 3.08Å; S1393-R1419 PolarHBondContact N-O 3.37Å; R1419-D1498 HydrophobicContact CB-CB 4.15Å; R1419-D1498 HydrophobicContact CG-CB 4.06Å |
| 1420 | L | 94.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -128.1 | 24.5 | -176 | -70.6 | 162.2 | 0 | 0 | 0 | 110.8 | L1392 L1403 L1418 G1422 C1423 L1479 L1483 D1498 C1502 | L1392-L1420 HydrophobicContact CB-CD2 4.03Å; L1392-L1420 HydrophobicContact CD1-CD2 4.23Å; L1403-L1420 HydrophobicContact CD1-CD2 4.39Å; L1403-L1420 HydrophobicContact CD2-CD1 4.05Å; L1418-L1420 HydrophobicContact CD1-CG 4.3Å; L1418-L1420 HydrophobicContact CD2-CD1 3.84Å; L1418-L1420 HydrophobicContact CD2-CG 4.4Å; L1418-L1420 HydrophobicContact CG-CD1 3.96Å; L1418-L1420 HydrophobicContact CG-CG 4.04Å; L1420-G1422 PolarHBondContact O-N 3.26Å; L1420-C1423 VanDerWaalsContact C-SG 3.53Å; L1420-C1423 HydrophobicContact CB-CB 4.4Å; L1420-C1423 VanDerWaalsContact O-CB 3.23Å; L1420-C1423 WeakPolarHBondContact O-CB 3.48Å; L1420-C1423 PolarHBondContact O-N 3.35Å; L1420-C1423 VanDerWaalsContact O-N 3.07Å; L1420-C1423 PolarHBondContact O-SG 2.94Å; L1420-L1479 HydrophobicContact CB-CD2 4.35Å; L1420-L1479 HydrophobicContact CD1-CD2 3.77Å; L1420-L1479 HydrophobicContact CD2-CD2 4.43Å; L1420-L1479 HydrophobicContact CG-CD2 4.41Å; L1420-L1483 HydrophobicContact CD1-CD1 3.85Å; L1420-D1498 PolarHBondContact N-O 3.08Å; L1420-C1502 PolarHBondContact O-SG 3.12Å | ||
| 1421 | R | 91.9 | Very high | 74.7 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 25% | 0.253 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 129.9 | -174.2 | -158.5 | 170.7 | -167.6 | -121.7 | 2 | 110.2 | S1393 W1394 C1423 G1500 H1501 D1529 | S1393-R1421 CarbonylContact C-O 3.44Å; S1393-R1421 VanDerWaalsContact CA-O 3.25Å; S1393-R1421 WeakPolarHBondContact CA-O 3.47Å; S1393-R1421 WeakPolarHBondContact CB-O 3.47Å; S1393-R1421 PolarHBondContact OG-N 3.43Å; W1394-R1421 PolarHBondContact N-O 2.87Å; R1421-C1423 VanDerWaalsContact C-N 3.28Å; R1421-C1423 PolarHBondContact O-N 3.16Å; R1421-G1500 CarbonylContact C-O 3.55Å; R1421-G1500 VanDerWaalsContact CA-O 3.26Å; R1421-G1500 WeakPolarHBondContact CA-O 3.37Å; R1421-G1500 VanDerWaalsContact CG-O 3.3Å; R1421-G1500 WeakPolarHBondContact CG-O 3.46Å; R1421-H1501 VanDerWaalsContact CZ-CD2 3.41Å; R1421-H1501 PolarHBondContact NE-CD2 3.08Å; R1421-H1501 PolarHBondContact NH2-CD2 3.25Å; R1421-H1501 PolarHBondContact NH2-NE2 3.24Å; R1421-D1529 IonicContact CZ-OD2 3.83Å; R1421-D1529 IonicContact NE-OD1 2.67Å; R1421-D1529 IonicContact NE-OD2 3.61Å; R1421-D1529 IonicContact NH2-OD2 2.72Å; R1421-D1529 PolarHBondContact NH2-OD2 2.97Å |
| 1422 | G | 84.9 | Confident | 71.9 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 15.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1420 S1424 G1500 | L1420-G1422 PolarHBondContact O-N 3.26Å; G1422-S1424 PolarHBondContact O-N 3.49Å; G1422-G1500 PolarHBondContact N-O 3.37Å |
| 1423 | C | 84.7 | Confident | 68.9 | Low | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -83.6 | 45.5 | -179.6 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | L1392 L1420 R1421 | L1392-C1423 PolarHBondContact O-SG 3.3Å; L1420-C1423 VanDerWaalsContact C-SG 3.53Å; L1420-C1423 HydrophobicContact CB-CB 4.4Å; L1420-C1423 VanDerWaalsContact O-CB 3.23Å; L1420-C1423 WeakPolarHBondContact O-CB 3.48Å; L1420-C1423 PolarHBondContact O-N 3.35Å; L1420-C1423 VanDerWaalsContact O-N 3.07Å; L1420-C1423 PolarHBondContact O-SG 2.94Å; R1421-C1423 VanDerWaalsContact C-N 3.28Å; R1421-C1423 PolarHBondContact O-N 3.16Å | ||
| 1424 | S | 71.6 | Confident | 66.1 | Low | 10 Ų | 10 | 72.2 Ų | 72.2 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | trans | -129.8 | 128 | 179 | 64.6 | 0 | 0 | 0 | 0 | 113 | G1422 C1502 Q1503 | G1422-S1424 PolarHBondContact O-N 3.49Å; S1424-C1502 WeakPolarHBondContact CB-O 3.49Å; S1424-C1502 VanDerWaalsContact OG-C 3.27Å; S1424-C1502 PolarHBondContact OG-O 3.04Å; S1424-Q1503 WeakPolarHBondContact OG-CG 3.44Å | ||
| 1425 | T | 64.9 | Low | 63.2 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 33% | 0.325 | 38% | 0.383 | S | S | . | . | trans | -91.1 | 143.5 | 170.3 | 36.2 | 0 | 0 | 0 | 0 | 111.9 | P1396 Q1427 | P1396-T1425 HydrophobicContact CB-CG2 4.01Å; P1396-T1425 VanDerWaalsContact O-CG2 3.27Å; P1396-T1425 WeakPolarHBondContact O-CG2 3.45Å; T1425-Q1427 PolarHBondContact O-N 3.25Å | ||
| 1426 | F | 51.2 | Low | 60.2 | Low | 88 Ų | 88 | 79.5 Ų | 79.5 | 39% | 0.386 | 42% | 0.415 | S | S | . | . | trans | -74.5 | 121.4 | 170.4 | -128 | -88.3 | 0 | 0 | 0 | 109.6 | K1428 Q1434 | F1426-K1428 PolarHBondContact O-N 2.99Å; F1426-Q1434 HydrophobicContact CE1-CB 4.49Å | ||
| 1427 | Q | 47 | Very low | 57.1 | Low | 115 Ų | 115 | 81 Ų | 81 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | trans | -69.6 | 114.8 | 172.8 | -78.5 | -173.4 | -14.9 | 0 | 0 | 109.5 | T1425 S1429 | T1425-Q1427 PolarHBondContact O-N 3.25Å; Q1427-S1429 PolarHBondContact O-N 3.45Å | ||
| 1428 | K | 39.5 | Very low | 54.1 | Low | 211 Ų | 211 | 84.1 Ų | 84.1 | 92% | 0.917 | 44% | 0.443 | S | S | * | . | trans | -64.8 | 96.1 | 170.7 | -73.4 | 179.9 | 177.8 | 176.8 | 0 | 109.5 | F1426 | F1426-K1428 PolarHBondContact O-N 2.99Š| ||
| 1429 | S | 34.7 | Very low | 51 | Low | 64 Ų | 64 | 90 Ų | 90 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | trans | -66.3 | 135.4 | 160.1 | 59.9 | 0 | 0 | 0 | 0 | 108.4 | Q1427 T1431 | Q1427-S1429 PolarHBondContact O-N 3.45Å; S1429-T1431 PolarHBondContact O-N 2.93Å | ||
| 1430 | S | 37.2 | Very low | 48 | Very low | 130 Ų | 130 | 87.5 Ų | 87.5 | 91% | 0.909 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -64.9 | 17.4 | -168.5 | 54.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1431 | T | 32.6 | Very low | 45.2 | Very low | 105 Ų | 105 | 90.2 Ų | 90.2 | 64% | 0.644 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -120.3 | 113.8 | 174.8 | 53 | 0 | 0 | 0 | 0 | 109.8 | S1429 | S1429-T1431 PolarHBondContact O-N 2.93Š|
| 1432 | N | 28.8 | Very low | 42.8 | Very low | 155 Ų | 155 | 88.2 Ų | 88.2 | 83% | 0.829 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -36.7 | 142.8 | 177 | -73.3 | -29.1 | 0 | 0 | 0 | 114.2 | ||
| 1433 | K | 28.1 | Very low | 40.7 | Very low | 200 Ų | 200 | 90.5 Ų | 90.5 | 87% | 0.87 | 50% | 0.497 | S | S | * | . | trans | 98.3 | 70.7 | 176.5 | -56.8 | 179.5 | -179.5 | -172.6 | 0 | 115.4 | ||||
| 1434 | Q | 28.8 | Very low | 38.7 | Very low | 87 Ų | 87 | 94.3 Ų | 94.3 | 41% | 0.407 | 52% | 0.524 | S | S | . | . | trans | -138.1 | 130.9 | 159.5 | -72.7 | -175 | -13.1 | 0 | 0 | 110.9 | F1426 | F1426-Q1434 HydrophobicContact CE1-CB 4.49Š| ||
| 1435 | C | 28.8 | Very low | 37.2 | Very low | 85 Ų | 85 | 97.3 Ų | 97.3 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | trans | -73.5 | 135.5 | -170.7 | -150.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1436 | P | 31 | Very low | 36 | Very low | 102 Ų | 102 | 96.2 Ų | 96.2 | 66% | 0.662 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -77.7 | 129.5 | 173.7 | 31.8 | -28.5 | 0 | 0 | 0 | 108.5 | ||
| 1437 | I | 28.4 | Very low | 35.6 | Very low | 139 Ų | 139 | 96 Ų | 96 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | trans | 76.4 | 93.6 | 173.3 | -46.1 | 160.7 | 0 | 0 | 0 | 112.9 | L1439 | I1437-L1439 VanDerWaalsContact C-N 3.35Å; I1437-L1439 PolarHBondContact O-N 3.29Å | ||
| 1438 | N | 33.4 | Very low | 35.4 | Very low | 71 Ų | 71 | 93.7 Ų | 93.7 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | trans | -69.5 | 92.8 | 163.1 | -83.5 | -14.9 | 0 | 0 | 0 | 108.9 | ||||
| 1439 | L | 32 | Very low | 35.3 | Very low | 123 Ų | 123 | 86.5 Ų | 86.5 | 64% | 0.644 | 51% | 0.506 | S | S | * | . | trans | -58.1 | 144.8 | 149.2 | -78.2 | 158.9 | 0 | 0 | 0 | 107.8 | I1437 V1441 | I1437-L1439 VanDerWaalsContact C-N 3.35Å; I1437-L1439 PolarHBondContact O-N 3.29Å; L1439-V1441 HydrophobicContact CB-CG2 4.25Å; L1439-V1441 PolarHBondContact O-N 3.42Å | ||
| 1440 | P | 34.8 | Very low | 36 | Very low | 25 Ų | 25 | 87.8 Ų | 87.8 | 16% | 0.162 | 51% | 0.508 | C | S | . | . | trans | -74.7 | 73.6 | -173.9 | 32.7 | -34.9 | 0 | 0 | 0 | 110.1 | E1445 | P1440-E1445 VanDerWaalsContact O-OE2 3.11Š| ||
| 1441 | V | 36.1 | Very low | 36.3 | Very low | 56 Ų | 56 | 90.6 Ų | 90.6 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | trans | -87.6 | 110.3 | -179.2 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | L1439 E1445 L1446 L1449 | L1439-V1441 HydrophobicContact CB-CG2 4.25Å; L1439-V1441 PolarHBondContact O-N 3.42Å; V1441-E1445 WeakPolarHBondContact CA-OE2 3.32Å; V1441-E1445 HydrophobicContact CB-CB 4.31Å; V1441-E1445 HydrophobicContact CG1-CB 3.45Å; V1441-E1445 VanDerWaalsContact CG1-CB 3.45Å; V1441-L1446 HydrophobicContact CG1-CB 4.03Å; V1441-L1446 HydrophobicContact CG1-CD1 3.98Å; V1441-L1446 VanDerWaalsContact CG1-N 3.34Å; V1441-L1449 HydrophobicContact CB-CD1 4.48Å; V1441-L1449 HydrophobicContact CG1-CD1 3.53Å; V1441-L1449 HydrophobicContact CG2-CD1 4.11Å | ||
| 1442 | T | 39.8 | Very low | 36.1 | Very low | 25 Ų | 25 | 87.2 Ų | 87.2 | 15% | 0.153 | 48% | 0.476 | C | S | . | . | trans | -66.5 | 162.8 | 171.8 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | S1444 E1445 L1446 N1608 | T1442-S1444 PolarHBondContact O-N 2.7Å; T1442-S1444 PolarHBondContact OG1-OG 3.41Å; T1442-E1445 PolarHBondContact N-OE2 3.02Å; T1442-E1445 CarbonylContact O-C 3.49Å; T1442-E1445 WeakPolarHBondContact O-CA 3.48Å; T1442-E1445 PolarHBondContact O-N 3.2Å; T1442-E1445 WeakPolarHBondContact OG1-CG 3.49Å; T1442-E1445 PolarHBondContact OG1-N 2.98Å; T1442-E1445 PolarHBondContact OG1-OE2 2.9Å; T1442-L1446 PolarHBondContact O-N 3.1Å; T1442-N1608 HydrophobicContact CG2-CB 4.26Å | ||
| 1443 | A | 40.7 | Very low | 36.9 | Very low | 57 Ų | 57 | 86 Ų | 86 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.2 | -33.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1446 S1447 | A1443-L1446 PolarHBondContact O-N 2.81Å; A1443-S1447 WeakPolarHBondContact O-CB 3.38Å; A1443-S1447 PolarHBondContact O-N 3.14Å; A1443-S1447 PolarHBondContact O-OG 3.31Å |
| 1444 | S | 43.8 | Very low | 37.8 | Very low | 80 Ų | 80 | 82.7 Ų | 82.7 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.4 | -42 | 170.8 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | T1442 S1447 S1448 | T1442-S1444 PolarHBondContact O-N 2.7Å; T1442-S1444 PolarHBondContact OG1-OG 3.41Å; S1444-S1447 WeakPolarHBondContact CA-OG 3.47Å; S1444-S1447 CarbonylContact O-C 3.59Å; S1444-S1447 PolarHBondContact O-N 3.31Å; S1444-S1447 PolarHBondContact O-OG 3.29Å; S1444-S1448 WeakPolarHBondContact O-CB 3.44Å; S1444-S1448 PolarHBondContact O-N 2.67Å |
| 1445 | E | 40.6 | Very low | 38.8 | Very low | 72 Ų | 72 | 86.4 Ų | 86.4 | 34% | 0.336 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.3 | -33.7 | 175.9 | -71.1 | 161.5 | 136 | 0 | 0 | 112 | P1440 V1441 T1442 S1447 S1448 L1449 | P1440-E1445 VanDerWaalsContact O-OE2 3.11Å; V1441-E1445 WeakPolarHBondContact CA-OE2 3.32Å; V1441-E1445 HydrophobicContact CB-CB 4.31Å; V1441-E1445 HydrophobicContact CG1-CB 3.45Å; V1441-E1445 VanDerWaalsContact CG1-CB 3.45Å; T1442-E1445 PolarHBondContact N-OE2 3.02Å; T1442-E1445 CarbonylContact O-C 3.49Å; T1442-E1445 WeakPolarHBondContact O-CA 3.48Å; T1442-E1445 PolarHBondContact O-N 3.2Å; T1442-E1445 WeakPolarHBondContact OG1-CG 3.49Å; T1442-E1445 PolarHBondContact OG1-N 2.98Å; T1442-E1445 PolarHBondContact OG1-OE2 2.9Å; E1445-S1447 VanDerWaalsContact C-N 3.3Å; E1445-S1447 PolarHBondContact O-N 2.88Å; E1445-S1448 VanDerWaalsContact CA-OG 3.23Å; E1445-S1448 WeakPolarHBondContact CA-OG 2.96Å; E1445-S1448 CarbonylContact O-C 3.53Å; E1445-S1448 PolarHBondContact O-N 3.4Å; E1445-S1448 VanDerWaalsContact O-N 3.1Å; E1445-S1448 PolarHBondContact O-OG 3.32Å; E1445-L1449 WeakPolarHBondContact O-CB 3.45Å; E1445-L1449 WeakPolarHBondContact O-CG 3.3Å; E1445-L1449 PolarHBondContact O-N 3.32Å |
| 1446 | L | 39.1 | Very low | 39.4 | Very low | 31 Ų | 31 | 83.9 Ų | 83.9 | 16% | 0.162 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.9 | -34.8 | 174.5 | -150.2 | 104.5 | 0 | 0 | 0 | 110.5 | V1441 T1442 A1443 S1448 L1449 L1452 I1460 | V1441-L1446 HydrophobicContact CG1-CB 4.03Å; V1441-L1446 HydrophobicContact CG1-CD1 3.98Å; V1441-L1446 VanDerWaalsContact CG1-N 3.34Å; T1442-L1446 PolarHBondContact O-N 3.1Å; A1443-L1446 PolarHBondContact O-N 2.81Å; L1446-S1448 VanDerWaalsContact C-N 3.3Å; L1446-L1449 PolarHBondContact O-N 3.38Å; L1446-L1452 HydrophobicContact CD1-CD1 4.15Å; L1446-L1452 HydrophobicContact CD2-CD1 4.28Å; L1446-L1452 HydrophobicContact CG-CD1 4.07Å; L1446-I1460 HydrophobicContact CD2-CB 4.48Å; L1446-I1460 HydrophobicContact CD2-CG2 3.99Å |
| 1447 | S | 43.3 | Very low | 39.8 | Very low | 82 Ų | 82 | 80.2 Ų | 80.2 | 57% | 0.573 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -72.5 | -21.4 | 170 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | A1443 S1444 E1445 | A1443-S1447 WeakPolarHBondContact O-CB 3.38Å; A1443-S1447 PolarHBondContact O-N 3.14Å; A1443-S1447 PolarHBondContact O-OG 3.31Å; S1444-S1447 WeakPolarHBondContact CA-OG 3.47Å; S1444-S1447 CarbonylContact O-C 3.59Å; S1444-S1447 PolarHBondContact O-N 3.31Å; S1444-S1447 PolarHBondContact O-OG 3.29Å; E1445-S1447 VanDerWaalsContact C-N 3.3Å; E1445-S1447 PolarHBondContact O-N 2.88Å |
| 1448 | S | 41.8 | Very low | 40.7 | Very low | 67 Ų | 67 | 79.9 Ų | 79.9 | 47% | 0.469 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -87.9 | -20.4 | 172.5 | 75.2 | 0 | 0 | 0 | 0 | 113 | S1444 E1445 L1446 N1450 | S1444-S1448 WeakPolarHBondContact O-CB 3.44Å; S1444-S1448 PolarHBondContact O-N 2.67Å; E1445-S1448 VanDerWaalsContact CA-OG 3.23Å; E1445-S1448 WeakPolarHBondContact CA-OG 2.96Å; E1445-S1448 CarbonylContact O-C 3.53Å; E1445-S1448 PolarHBondContact O-N 3.4Å; E1445-S1448 VanDerWaalsContact O-N 3.1Å; E1445-S1448 PolarHBondContact O-OG 3.32Å; L1446-S1448 VanDerWaalsContact C-N 3.3Å; S1448-N1450 VanDerWaalsContact C-N 3.25Å; S1448-N1450 PolarHBondContact O-N 2.85Å; S1448-N1450 PolarHBondContact O-OD1 3.21Å |
| 1449 | L | 37.4 | Very low | 41.4 | Very low | 61 Ų | 61 | 81.2 Ų | 81.2 | 32% | 0.319 | 44% | 0.438 | S | S | . | . | trans | -78.3 | 76.1 | 172.5 | -72.2 | 168.7 | 0 | 0 | 0 | 109.4 | V1441 E1445 L1446 W1451 L1452 | V1441-L1449 HydrophobicContact CB-CD1 4.48Å; V1441-L1449 HydrophobicContact CG1-CD1 3.53Å; V1441-L1449 HydrophobicContact CG2-CD1 4.11Å; E1445-L1449 WeakPolarHBondContact O-CB 3.45Å; E1445-L1449 WeakPolarHBondContact O-CG 3.3Å; E1445-L1449 PolarHBondContact O-N 3.32Å; L1446-L1449 PolarHBondContact O-N 3.38Å; L1449-W1451 PolarHBondContact O-N 2.94Å; L1449-L1452 PolarHBondContact O-N 3.33Å | ||
| 1450 | N | 49 | Very low | 41.8 | Very low | 91 Ų | 91 | 77.7 Ų | 77.7 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -6.6 | -176 | -75.9 | 3.6 | 0 | 0 | 0 | 116.1 | K227 S1448 | K227-N1450 WeakPolarHBondContact CD-ND2 3.29Å; K227-N1450 PolarHBondContact NZ-OD1 3.4Å; S1448-N1450 VanDerWaalsContact C-N 3.25Å; S1448-N1450 PolarHBondContact O-N 2.85Å; S1448-N1450 PolarHBondContact O-OD1 3.21Å |
| 1451 | W | 43.6 | Very low | 42.2 | Very low | 189 Ų | 189 | 80.5 Ų | 80.5 | 72% | 0.716 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -12.7 | 177 | 66.2 | -85 | 0 | 0 | 0 | 113.9 | L1449 N1453 | L1449-W1451 PolarHBondContact O-N 2.94Å; W1451-N1453 PolarHBondContact O-N 2.92Å |
| 1452 | L | 29.3 | Very low | 42.8 | Very low | 33 Ų | 33 | 84.6 Ų | 84.6 | 17% | 0.173 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -92.2 | 88 | 169.2 | -81.2 | 162.9 | 0 | 0 | 0 | 109.6 | L1446 L1449 S1456 I1460 | L1446-L1452 HydrophobicContact CD1-CD1 4.15Å; L1446-L1452 HydrophobicContact CD2-CD1 4.28Å; L1446-L1452 HydrophobicContact CG-CD1 4.07Å; L1449-L1452 PolarHBondContact O-N 3.33Å; L1452-S1456 WeakPolarHBondContact CA-OG 3.38Å; L1452-S1456 WeakPolarHBondContact CD2-OG 3.5Å; L1452-I1460 HydrophobicContact CD1-CD1 3.67Å; L1452-I1460 HydrophobicContact CD2-CD1 3.36Å; L1452-I1460 HydrophobicContact CG-CD1 4.1Å |
| 1453 | N | 45.6 | Very low | 43 | Very low | 130 Ų | 130 | 86.6 Ų | 86.6 | 70% | 0.695 | 45% | 0.454 | S | S | * | . | trans | -38.8 | 138.3 | 174.2 | -153 | -16.3 | 0 | 0 | 0 | 111.8 | W1451 K1455 S1456 S1457 | W1451-N1453 PolarHBondContact O-N 2.92Å; N1453-K1455 CarbonylContact O-C 3.57Å; N1453-K1455 PolarHBondContact O-N 3.32Å; N1453-S1456 PolarHBondContact N-OG 3.38Å; N1453-S1456 VanDerWaalsContact N-OG 3.15Å; N1453-S1456 VanDerWaalsContact O-CA 3.32Å; N1453-S1456 WeakPolarHBondContact O-CA 2.98Å; N1453-S1456 WeakPolarHBondContact O-CB 3.47Å; N1453-S1456 PolarHBondContact O-N 2.88Å; N1453-S1456 PolarHBondContact O-OG 2.98Å; N1453-S1457 PolarHBondContact O-N 3.25Å | ||
| 1454 | N | 47.4 | Very low | 43 | Very low | 131 Ų | 131 | 86.8 Ų | 86.8 | 70% | 0.701 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -53.5 | -27.6 | -167.1 | -78.8 | -26.7 | 0 | 0 | 0 | 115.7 | S1457 E1458 | N1454-S1457 PolarHBondContact O-N 2.94Å; N1454-S1457 PolarHBondContact O-OG 2.91Å; N1454-E1458 PolarHBondContact O-N 3.15Å; N1454-E1458 VanDerWaalsContact O-N 3.07Å |
| 1455 | K | 49.2 | Very low | 43 | Very low | 164 Ų | 164 | 89.1 Ų | 89.1 | 71% | 0.713 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.4 | -34.1 | 170.8 | -79.1 | -176.8 | 178.1 | 174 | 0 | 113.2 | N1453 I1459 | N1453-K1455 CarbonylContact O-C 3.57Å; N1453-K1455 PolarHBondContact O-N 3.32Å; K1455-I1459 WeakPolarHBondContact O-CB 3.26Å; K1455-I1459 WeakPolarHBondContact O-CD1 3.17Å; K1455-I1459 WeakPolarHBondContact O-CG1 3.45Å; K1455-I1459 PolarHBondContact O-N 3.38Å |
| 1456 | S | 41.1 | Very low | 43.3 | Very low | 33 Ų | 33 | 93.2 Ų | 93.2 | 23% | 0.231 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -72.6 | -32.8 | 174 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | L1452 N1453 I1459 I1460 | L1452-S1456 WeakPolarHBondContact CA-OG 3.38Å; L1452-S1456 WeakPolarHBondContact CD2-OG 3.5Å; N1453-S1456 PolarHBondContact N-OG 3.38Å; N1453-S1456 VanDerWaalsContact N-OG 3.15Å; N1453-S1456 VanDerWaalsContact O-CA 3.32Å; N1453-S1456 WeakPolarHBondContact O-CA 2.98Å; N1453-S1456 WeakPolarHBondContact O-CB 3.47Å; N1453-S1456 PolarHBondContact O-N 2.88Å; N1453-S1456 PolarHBondContact O-OG 2.98Å; S1456-I1459 PolarHBondContact O-N 3.25Å; S1456-I1460 WeakPolarHBondContact O-CB 3.26Å; S1456-I1460 WeakPolarHBondContact O-CD1 3.42Å; S1456-I1460 WeakPolarHBondContact O-CG1 3.35Å; S1456-I1460 PolarHBondContact O-N 3.49Å |
| 1457 | S | 39.6 | Very low | 43.5 | Very low | 25 Ų | 25 | 95.1 Ų | 95.1 | 18% | 0.175 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 169.9 | 70.8 | 0 | 0 | 0 | 0 | 110.9 | N1453 N1454 I1460 M1461 | N1453-S1457 PolarHBondContact O-N 3.25Å; N1454-S1457 PolarHBondContact O-N 2.94Å; N1454-S1457 PolarHBondContact O-OG 2.91Å; S1457-I1460 CarbonylContact O-C 3.49Å; S1457-I1460 PolarHBondContact O-N 3.09Å; S1457-M1461 VanDerWaalsContact O-CB 3.23Å; S1457-M1461 WeakPolarHBondContact O-CB 3.45Å; S1457-M1461 WeakPolarHBondContact O-CG 3.5Å; S1457-M1461 PolarHBondContact O-N 3.04Å |
| 1458 | E | 46.2 | Very low | 43.7 | Very low | 131 Ų | 131 | 93.7 Ų | 93.7 | 61% | 0.612 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 171.4 | -102.4 | -169.5 | 164.7 | 0 | 0 | 113.1 | N1454 M1461 K1462 | N1454-E1458 PolarHBondContact O-N 3.15Å; N1454-E1458 VanDerWaalsContact O-N 3.07Å; E1458-M1461 PolarHBondContact O-N 3.23Å; E1458-K1462 VanDerWaalsContact O-CB 3.26Å; E1458-K1462 WeakPolarHBondContact O-CB 3.1Å; E1458-K1462 PolarHBondContact O-N 3.18Å |
| 1459 | I | 49.2 | Very low | 44.1 | Very low | 99 Ų | 99 | 96.4 Ų | 96.4 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.2 | -71.3 | 162.4 | 0 | 0 | 0 | 110.4 | K1455 S1456 N1463 | K1455-I1459 WeakPolarHBondContact O-CB 3.26Å; K1455-I1459 WeakPolarHBondContact O-CD1 3.17Å; K1455-I1459 WeakPolarHBondContact O-CG1 3.45Å; K1455-I1459 PolarHBondContact O-N 3.38Å; S1456-I1459 PolarHBondContact O-N 3.25Å; I1459-N1463 WeakPolarHBondContact CG2-ND2 3.46Å; I1459-N1463 WeakPolarHBondContact O-CA 3.5Å; I1459-N1463 WeakPolarHBondContact O-CB 3.44Å; I1459-N1463 PolarHBondContact O-N 3Å; I1459-N1463 PolarHBondContact O-ND2 3.44Å; I1459-N1463 VanDerWaalsContact O-ND2 3.16Å |
| 1460 | I | 40.9 | Very low | 45 | Very low | 49 Ų | 49 | 96.8 Ų | 96.8 | 25% | 0.251 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 174.7 | -73 | 168.1 | 0 | 0 | 0 | 109.6 | L1446 L1452 S1456 S1457 N1463 L1464 | L1446-I1460 HydrophobicContact CD2-CB 4.48Å; L1446-I1460 HydrophobicContact CD2-CG2 3.99Å; L1452-I1460 HydrophobicContact CD1-CD1 3.67Å; L1452-I1460 HydrophobicContact CD2-CD1 3.36Å; L1452-I1460 HydrophobicContact CG-CD1 4.1Å; S1456-I1460 WeakPolarHBondContact O-CB 3.26Å; S1456-I1460 WeakPolarHBondContact O-CD1 3.42Å; S1456-I1460 WeakPolarHBondContact O-CG1 3.35Å; S1456-I1460 PolarHBondContact O-N 3.49Å; S1457-I1460 CarbonylContact O-C 3.49Å; S1457-I1460 PolarHBondContact O-N 3.09Å; I1460-N1463 CarbonylContact O-C 3.38Å; I1460-N1463 PolarHBondContact O-N 3.44Å; I1460-L1464 HydrophobicContact CG2-CD1 3.77Å; I1460-L1464 HydrophobicContact CG2-CG 4.16Å; I1460-L1464 VanDerWaalsContact O-CB 3.28Å; I1460-L1464 WeakPolarHBondContact O-CB 3.44Å; I1460-L1464 WeakPolarHBondContact O-CG 3.38Å; I1460-L1464 PolarHBondContact O-N 2.84Å |
| 1461 | M | 41.9 | Very low | 45.7 | Very low | 85 Ų | 85 | 101.1 Ų | 101.1 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 175.6 | -72.4 | -64.2 | -76.4 | 0 | 0 | 111.1 | S1457 E1458 N1463 L1464 E1465 | S1457-M1461 VanDerWaalsContact O-CB 3.23Å; S1457-M1461 WeakPolarHBondContact O-CB 3.45Å; S1457-M1461 WeakPolarHBondContact O-CG 3.5Å; S1457-M1461 PolarHBondContact O-N 3.04Å; E1458-M1461 PolarHBondContact O-N 3.23Å; M1461-N1463 VanDerWaalsContact C-N 3.29Å; M1461-N1463 PolarHBondContact O-N 2.66Å; M1461-L1464 CarbonylContact O-C 3.6Å; M1461-L1464 WeakPolarHBondContact O-CB 3.32Å; M1461-L1464 PolarHBondContact O-N 3.26Å; M1461-L1464 VanDerWaalsContact O-N 3.16Å; M1461-L1464 HydrophobicContact SD-CD1 3.93Å; M1461-E1465 WeakPolarHBondContact O-CB 3.33Å; M1461-E1465 WeakPolarHBondContact O-CG 3.38Å; M1461-E1465 PolarHBondContact O-N 3.33Å |
| 1462 | K | 48.4 | Very low | 47.2 | Very low | 142 Ų | 142 | 99.3 Ų | 99.3 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.3 | -34.5 | 169.7 | -93.2 | -177.9 | 172 | 167.2 | 0 | 112.5 | E1458 K1466 | E1458-K1462 VanDerWaalsContact O-CB 3.26Å; E1458-K1462 WeakPolarHBondContact O-CB 3.1Å; E1458-K1462 PolarHBondContact O-N 3.18Å; K1462-K1466 WeakPolarHBondContact O-CG 3.39Å; K1462-K1466 PolarHBondContact O-N 3.12Å |
| 1463 | N | 45 | Very low | 49.6 | Very low | 66 Ų | 66 | 100.1 Ų | 100.1 | 35% | 0.353 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.5 | -34.3 | 173.7 | -74.8 | -25.3 | 0 | 0 | 0 | 110.8 | I1459 I1460 M1461 K1466 F1467 | I1459-N1463 WeakPolarHBondContact CG2-ND2 3.46Å; I1459-N1463 WeakPolarHBondContact O-CA 3.5Å; I1459-N1463 WeakPolarHBondContact O-CB 3.44Å; I1459-N1463 PolarHBondContact O-N 3Å; I1459-N1463 PolarHBondContact O-ND2 3.44Å; I1459-N1463 VanDerWaalsContact O-ND2 3.16Å; I1460-N1463 CarbonylContact O-C 3.38Å; I1460-N1463 PolarHBondContact O-N 3.44Å; M1461-N1463 VanDerWaalsContact C-N 3.29Å; M1461-N1463 PolarHBondContact O-N 2.66Å; N1463-K1466 CarbonylContact O-C 3.18Å; N1463-K1466 WeakPolarHBondContact O-CA 3.27Å; N1463-K1466 VanDerWaalsContact O-CB 3.31Å; N1463-K1466 WeakPolarHBondContact O-CB 3.24Å; N1463-K1466 PolarHBondContact O-N 2.86Å; N1463-F1467 VanDerWaalsContact C-CD2 3.41Å; N1463-F1467 HydrophobicContact CB-CD2 4.42Å; N1463-F1467 HydrophobicContact CB-CE2 4.14Å; N1463-F1467 WeakPolarHBondContact O-CD2 3.27Å; N1463-F1467 VanDerWaalsContact O-CG 3.27Å; N1463-F1467 WeakPolarHBondContact O-CG 3.49Å; N1463-F1467 PolarHBondContact O-N 3.02Å |
| 1464 | L | 40.4 | Very low | 51.5 | Low | 61 Ų | 61 | 95 Ų | 95 | 32% | 0.319 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 172.8 | -76 | 168.2 | 0 | 0 | 0 | 111.1 | I1460 M1461 K1466 F1467 N1468 M1533 | I1460-L1464 HydrophobicContact CG2-CD1 3.77Å; I1460-L1464 HydrophobicContact CG2-CG 4.16Å; I1460-L1464 VanDerWaalsContact O-CB 3.28Å; I1460-L1464 WeakPolarHBondContact O-CB 3.44Å; I1460-L1464 WeakPolarHBondContact O-CG 3.38Å; I1460-L1464 PolarHBondContact O-N 2.84Å; M1461-L1464 CarbonylContact O-C 3.6Å; M1461-L1464 WeakPolarHBondContact O-CB 3.32Å; M1461-L1464 PolarHBondContact O-N 3.26Å; M1461-L1464 VanDerWaalsContact O-N 3.16Å; M1461-L1464 HydrophobicContact SD-CD1 3.93Å; L1464-K1466 VanDerWaalsContact C-N 3.34Å; L1464-F1467 HydrophobicContact CD2-CD2 4.14Å; L1464-F1467 CarbonylContact O-C 3.49Å; L1464-F1467 WeakPolarHBondContact O-CA 3.26Å; L1464-F1467 WeakPolarHBondContact O-CB 3.41Å; L1464-F1467 PolarHBondContact O-N 3.34Å; L1464-N1468 PolarHBondContact O-N 3.48Å; L1464-M1533 HydrophobicContact CD2-CE 4.31Å |
| 1465 | E | 44.3 | Very low | 53.1 | Low | 129 Ų | 129 | 90 Ų | 90 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 168 | -75.2 | -179.1 | 168.6 | 0 | 0 | 111.2 | M1461 F1467 N1468 | M1461-E1465 WeakPolarHBondContact O-CB 3.33Å; M1461-E1465 WeakPolarHBondContact O-CG 3.38Å; M1461-E1465 PolarHBondContact O-N 3.33Å; E1465-F1467 VanDerWaalsContact C-N 3.28Å; E1465-F1467 PolarHBondContact O-N 3.1Å; E1465-N1468 PolarHBondContact O-N 2.64Å |
| 1466 | K | 46.6 | Very low | 55 | Low | 159 Ų | 159 | 82.2 Ų | 82.2 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.4 | -31.7 | 168.3 | -78.3 | -179.2 | 175.3 | -179.1 | 0 | 112.5 | K1462 N1463 L1464 N1468 N1469 | K1462-K1466 WeakPolarHBondContact O-CG 3.39Å; K1462-K1466 PolarHBondContact O-N 3.12Å; N1463-K1466 CarbonylContact O-C 3.18Å; N1463-K1466 WeakPolarHBondContact O-CA 3.27Å; N1463-K1466 VanDerWaalsContact O-CB 3.31Å; N1463-K1466 WeakPolarHBondContact O-CB 3.24Å; N1463-K1466 PolarHBondContact O-N 2.86Å; L1464-K1466 VanDerWaalsContact C-N 3.34Å; K1466-N1468 VanDerWaalsContact C-N 3.3Å; K1466-N1468 PolarHBondContact O-N 3.31Å; K1466-N1469 PolarHBondContact O-N 3.27Å |
| 1467 | F | 43.1 | Very low | 57.3 | Low | 71 Ų | 71 | 80.8 Ų | 80.8 | 31% | 0.311 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.4 | -15.9 | 177.7 | -73.7 | -61.8 | 0 | 0 | 0 | 113 | N1463 L1464 E1465 N1469 F1470 | N1463-F1467 VanDerWaalsContact C-CD2 3.41Å; N1463-F1467 HydrophobicContact CB-CD2 4.42Å; N1463-F1467 HydrophobicContact CB-CE2 4.14Å; N1463-F1467 WeakPolarHBondContact O-CD2 3.27Å; N1463-F1467 VanDerWaalsContact O-CG 3.27Å; N1463-F1467 WeakPolarHBondContact O-CG 3.49Å; N1463-F1467 PolarHBondContact O-N 3.02Å; L1464-F1467 HydrophobicContact CD2-CD2 4.14Å; L1464-F1467 CarbonylContact O-C 3.49Å; L1464-F1467 WeakPolarHBondContact O-CA 3.26Å; L1464-F1467 WeakPolarHBondContact O-CB 3.41Å; L1464-F1467 PolarHBondContact O-N 3.34Å; E1465-F1467 VanDerWaalsContact C-N 3.28Å; E1465-F1467 PolarHBondContact O-N 3.1Å; F1467-N1469 PolarHBondContact O-N 2.7Å; F1467-N1469 VanDerWaalsContact O-N 3.11Å; F1467-F1470 HydrophobicContact CB-CE2 3.78Å; F1467-F1470 HydrophobicContact CB-CZ 3.91Å; F1467-F1470 AromaticContact CD1-CE1 3.56Å; F1467-F1470 HydrophobicContact CD1-CE1 3.56Å; F1467-F1470 HydrophobicContact CD1-CE2 4Å; F1467-F1470 AromaticContact CD1-CZ 3.23Å; F1467-F1470 HydrophobicContact CD1-CZ 3.23Å; F1467-F1470 HydrophobicContact CE1-CE1 4.07Å; F1467-F1470 AromaticContact CE1-CZ 3.98Å; F1467-F1470 HydrophobicContact CE1-CZ 3.98Å; F1467-F1470 HydrophobicContact CG-CE2 4.29Å; F1467-F1470 AromaticContact CG-CZ 3.89Å; F1467-F1470 HydrophobicContact CG-CZ 3.89Å; F1467-F1470 WeakPolarHBondContact O-CD2 3.29Å; F1467-F1470 WeakPolarHBondContact O-CE2 3.47Å; F1467-F1470 PolarHBondContact O-N 3.03Å |
| 1468 | N | 47.1 | Very low | 59.8 | Low | 51 Ų | 51 | 82.6 Ų | 82.6 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.7 | 169.2 | -78.9 | -20.4 | 0 | 0 | 0 | 112.8 | L1464 E1465 K1466 | L1464-N1468 PolarHBondContact O-N 3.48Å; E1465-N1468 PolarHBondContact O-N 2.64Å; K1466-N1468 VanDerWaalsContact C-N 3.3Å; K1466-N1468 PolarHBondContact O-N 3.31Å |
| 1469 | N | 51 | Low | 61.9 | Low | 125 Ų | 125 | 76.3 Ų | 76.3 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 52.8 | 175.7 | -67.2 | -19.8 | 0 | 0 | 0 | 112.4 | K1466 F1467 E1471 | K1466-N1469 PolarHBondContact O-N 3.27Å; F1467-N1469 PolarHBondContact O-N 2.7Å; F1467-N1469 VanDerWaalsContact O-N 3.11Å; N1469-E1471 PolarHBondContact O-N 2.83Å |
| 1470 | F | 56.9 | Low | 64 | Low | 68 Ų | 68 | 71.8 Ų | 71.8 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | trans | -65.2 | 106 | 167.4 | -76.5 | -72.8 | 0 | 0 | 0 | 109.5 | F1467 K1472 T1505 Y1506 H1507 M1533 | F1467-F1470 HydrophobicContact CB-CE2 3.78Å; F1467-F1470 HydrophobicContact CB-CZ 3.91Å; F1467-F1470 AromaticContact CD1-CE1 3.56Å; F1467-F1470 HydrophobicContact CD1-CE1 3.56Å; F1467-F1470 HydrophobicContact CD1-CE2 4Å; F1467-F1470 AromaticContact CD1-CZ 3.23Å; F1467-F1470 HydrophobicContact CD1-CZ 3.23Å; F1467-F1470 HydrophobicContact CE1-CE1 4.07Å; F1467-F1470 AromaticContact CE1-CZ 3.98Å; F1467-F1470 HydrophobicContact CE1-CZ 3.98Å; F1467-F1470 HydrophobicContact CG-CE2 4.29Å; F1467-F1470 AromaticContact CG-CZ 3.89Å; F1467-F1470 HydrophobicContact CG-CZ 3.89Å; F1467-F1470 WeakPolarHBondContact O-CD2 3.29Å; F1467-F1470 WeakPolarHBondContact O-CE2 3.47Å; F1467-F1470 PolarHBondContact O-N 3.03Å; F1470-K1472 PolarHBondContact O-N 3.44Å; F1470-T1505 HydrophobicContact CD2-CG2 4.47Å; F1470-Y1506 HydrophobicContact CB-CE1 4.34Å; F1470-Y1506 PolarHBondContact O-OH 3.21Å; F1470-H1507 PolarHBondContact O-NE2 3.47Å; F1470-M1533 HydrophobicContact CE2-SD 4.47Å | ||
| 1471 | E | 64 | Low | 66.5 | Low | 182 Ų | 182 | 73.1 Ų | 73.1 | 85% | 0.85 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -65.2 | -23.3 | 172.1 | -71.9 | -175 | 166.2 | 0 | 0 | 112.4 | N1469 | N1469-E1471 PolarHBondContact O-N 2.83Š|
| 1472 | K | 73.8 | Confident | 68.9 | Low | 151 Ų | 151 | 70 Ų | 70 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -119.6 | 143.8 | -174.4 | -65.1 | -177.1 | -178.5 | 178.6 | 0 | 112.3 | F1470 H1507 | F1470-K1472 PolarHBondContact O-N 3.44Å; K1472-H1507 PolarHBondContact O-NE2 2.81Å |
| 1473 | P | 81.1 | Confident | 71 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | trans | -65.2 | 141.5 | 175.1 | 27.5 | -34.5 | 0 | 0 | 0 | 111.3 | D1477 Q1478 H1507 | P1473-D1477 HydrophobicContact CB-CB 3.78Å; P1473-Q1478 HydrophobicContact CB-CG 4.2Å; P1473-Q1478 HydrophobicContact CG-CG 3.99Å; P1473-Q1478 PolarHBondContact O-NE2 3.12Å; P1473-H1507 HydrophobicContact CB-CB 3.89Å | ||
| 1474 | S | 84.1 | Confident | 73.3 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | trans | -64.3 | 166.3 | 173.5 | 84.1 | 0 | 0 | 0 | 0 | 111.1 | G1476 D1477 Q1478 Q1503 | S1474-G1476 VanDerWaalsContact C-N 3.25Å; S1474-G1476 PolarHBondContact O-N 2.84Å; S1474-G1476 PolarHBondContact OG-N 2.88Å; S1474-D1477 WeakPolarHBondContact CB-OD2 3.36Å; S1474-D1477 PolarHBondContact N-OD2 3.49Å; S1474-D1477 WeakPolarHBondContact O-CB 3.34Å; S1474-D1477 PolarHBondContact O-N 3.15Å; S1474-D1477 VanDerWaalsContact O-N 3.14Å; S1474-D1477 VanDerWaalsContact OG-CG 3.23Å; S1474-D1477 PolarHBondContact OG-N 3.24Å; S1474-D1477 VanDerWaalsContact OG-N 3.1Å; S1474-D1477 PolarHBondContact OG-OD2 2.94Å; S1474-D1477 VanDerWaalsContact OG-OD2 3.06Å; S1474-Q1478 WeakPolarHBondContact O-CG 3.41Å; S1474-Q1478 PolarHBondContact O-N 3.17Å; S1474-Q1503 VanDerWaalsContact CB-O 3.31Å; S1474-Q1503 WeakPolarHBondContact CB-O 3.23Å; S1474-Q1503 PolarHBondContact OG-O 3.27Å | ||
| 1475 | F | 81.9 | Confident | 75.7 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 174.9 | -169.5 | -89.1 | 0 | 0 | 0 | 111.7 | I1398 P1400 D1477 Q1478 L1479 | I1398-F1475 WeakPolarHBondContact O-CE1 3.44Å; I1398-F1475 WeakPolarHBondContact O-CZ 3.47Å; P1400-F1475 HydrophobicContact CG-CE2 4.5Å; F1475-D1477 PolarHBondContact O-N 3.46Å; F1475-Q1478 PolarHBondContact O-N 2.77Å; F1475-L1479 HydrophobicContact CE1-CD1 4.16Å; F1475-L1479 WeakPolarHBondContact O-CB 3.19Å; F1475-L1479 PolarHBondContact O-N 3.42Å |
| 1476 | G | 88.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1474 Q1478 L1479 L1480 C1502 | S1474-G1476 VanDerWaalsContact C-N 3.25Å; S1474-G1476 PolarHBondContact O-N 2.84Å; S1474-G1476 PolarHBondContact OG-N 2.88Å; G1476-Q1478 VanDerWaalsContact C-N 3.33Å; G1476-Q1478 PolarHBondContact O-N 2.99Å; G1476-L1479 PolarHBondContact O-N 3.45Å; G1476-L1480 WeakPolarHBondContact O-CB 3.45Å; G1476-L1480 PolarHBondContact O-N 3.37Å; G1476-C1502 VanDerWaalsContact CA-O 3.27Å; G1476-C1502 WeakPolarHBondContact CA-O 3.28Å |
| 1477 | D | 89.3 | Confident | 80 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.9 | -60.8 | -39.7 | 0 | 0 | 0 | 111.4 | P1473 S1474 F1475 L1479 N1481 L1504 T1505 H1507 C1508 | P1473-D1477 HydrophobicContact CB-CB 3.78Å; S1474-D1477 WeakPolarHBondContact CB-OD2 3.36Å; S1474-D1477 PolarHBondContact N-OD2 3.49Å; S1474-D1477 WeakPolarHBondContact O-CB 3.34Å; S1474-D1477 PolarHBondContact O-N 3.15Å; S1474-D1477 VanDerWaalsContact O-N 3.14Å; S1474-D1477 VanDerWaalsContact OG-CG 3.23Å; S1474-D1477 PolarHBondContact OG-N 3.24Å; S1474-D1477 VanDerWaalsContact OG-N 3.1Å; S1474-D1477 PolarHBondContact OG-OD2 2.94Å; S1474-D1477 VanDerWaalsContact OG-OD2 3.06Å; F1475-D1477 PolarHBondContact O-N 3.46Å; D1477-L1479 VanDerWaalsContact C-N 3.35Å; D1477-N1481 VanDerWaalsContact O-CB 3.27Å; D1477-N1481 WeakPolarHBondContact O-CB 3.32Å; D1477-N1481 PolarHBondContact O-N 3.39Å; D1477-L1504 WeakPolarHBondContact OD1-CA 3.44Å; D1477-T1505 PolarHBondContact OD1-N 3.27Å; D1477-T1505 WeakPolarHBondContact OD2-CB 3.06Å; D1477-T1505 PolarHBondContact OD2-N 3.43Å; D1477-T1505 PolarHBondContact OD2-OG1 3.3Å; D1477-H1507 HydrophobicContact CB-CB 4.14Å; D1477-C1508 WeakPolarHBondContact OD1-CB 3.49Å; D1477-C1508 PolarHBondContact OD1-N 3.36Å |
| 1478 | Q | 91.6 | Very high | 82.2 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 29% | 0.29 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 175.9 | -66.1 | 170.4 | 42 | 0 | 0 | 111.9 | P1400 P1473 S1474 F1475 G1476 N1481 S1482 | P1400-Q1478 HydrophobicContact CB-CB 4.4Å; P1400-Q1478 HydrophobicContact CG-CB 3.76Å; P1473-Q1478 HydrophobicContact CB-CG 4.2Å; P1473-Q1478 HydrophobicContact CG-CG 3.99Å; P1473-Q1478 PolarHBondContact O-NE2 3.12Å; S1474-Q1478 WeakPolarHBondContact O-CG 3.41Å; S1474-Q1478 PolarHBondContact O-N 3.17Å; F1475-Q1478 PolarHBondContact O-N 2.77Å; G1476-Q1478 VanDerWaalsContact C-N 3.33Å; G1476-Q1478 PolarHBondContact O-N 2.99Å; Q1478-N1481 PolarHBondContact O-N 3.41Å; Q1478-S1482 PolarHBondContact O-N 2.94Å; Q1478-S1482 PolarHBondContact O-OG 3.2Å |
| 1479 | L | 91 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 176.9 | -164.9 | 132.8 | 0 | 0 | 0 | 111 | L1403 L1420 F1475 G1476 D1477 N1481 S1482 L1483 M1499 | L1403-L1479 HydrophobicContact CD2-CD1 4.3Å; L1403-L1479 HydrophobicContact CD2-CD2 3.69Å; L1403-L1479 HydrophobicContact CD2-CG 3.6Å; L1420-L1479 HydrophobicContact CB-CD2 4.35Å; L1420-L1479 HydrophobicContact CD1-CD2 3.77Å; L1420-L1479 HydrophobicContact CD2-CD2 4.43Å; L1420-L1479 HydrophobicContact CG-CD2 4.41Å; F1475-L1479 HydrophobicContact CE1-CD1 4.16Å; F1475-L1479 WeakPolarHBondContact O-CB 3.19Å; F1475-L1479 PolarHBondContact O-N 3.42Å; G1476-L1479 PolarHBondContact O-N 3.45Å; D1477-L1479 VanDerWaalsContact C-N 3.35Å; L1479-N1481 VanDerWaalsContact C-N 3.34Å; L1479-N1481 PolarHBondContact O-N 2.95Å; L1479-S1482 PolarHBondContact O-N 3.2Å; L1479-L1483 PolarHBondContact O-N 3.25Å; L1479-L1483 VanDerWaalsContact O-N 3.08Å; L1479-M1499 HydrophobicContact CD2-CE 3.67Å |
| 1480 | L | 93.7 | Very high | 85.7 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 172.2 | 176.6 | 64.1 | 0 | 0 | 0 | 111.4 | G1476 S1482 L1483 C1484 L1497 M1499 L1504 C1508 L1512 | G1476-L1480 WeakPolarHBondContact O-CB 3.45Å; G1476-L1480 PolarHBondContact O-N 3.37Å; L1480-S1482 VanDerWaalsContact C-N 3.3Å; L1480-S1482 PolarHBondContact O-N 2.94Å; L1480-L1483 HydrophobicContact CD1-CD2 4.44Å; L1480-L1483 WeakPolarHBondContact O-CB 3.19Å; L1480-L1483 PolarHBondContact O-N 2.93Å; L1480-C1484 WeakPolarHBondContact O-CB 3.5Å; L1480-C1484 PolarHBondContact O-N 3.03Å; L1480-C1484 PolarHBondContact O-SG 2.68Å; L1480-L1497 HydrophobicContact CD1-CD2 4.36Å; L1480-M1499 HydrophobicContact CB-CE 3.76Å; L1480-M1499 HydrophobicContact CB-SD 3.78Å; L1480-M1499 HydrophobicContact CD1-SD 3.42Å; L1480-M1499 WeakPolarHBondContact CD1-SD 3.5Å; L1480-M1499 HydrophobicContact CG-SD 4.1Å; L1480-L1504 HydrophobicContact CB-CD2 4.37Å; L1480-L1504 HydrophobicContact CD2-CD2 4.4Å; L1480-C1508 HydrophobicContact CD2-CB 3.65Å; L1480-L1512 HydrophobicContact CD1-CD2 4.13Å; L1480-L1512 HydrophobicContact CD2-CD2 3.96Å; L1480-L1512 HydrophobicContact CD2-CG 4Å |
| 1481 | N | 93.3 | Very high | 87 | Confident | 78 Ų | 78 | 47.1 Ų | 47.1 | 42% | 0.417 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61 | -39.9 | 178.8 | -177.2 | 48 | 0 | 0 | 0 | 112.3 | D1477 Q1478 L1479 L1483 C1484 S1485 S1511 | D1477-N1481 VanDerWaalsContact O-CB 3.27Å; D1477-N1481 WeakPolarHBondContact O-CB 3.32Å; D1477-N1481 PolarHBondContact O-N 3.39Å; Q1478-N1481 PolarHBondContact O-N 3.41Å; L1479-N1481 VanDerWaalsContact C-N 3.34Å; L1479-N1481 PolarHBondContact O-N 2.95Å; N1481-L1483 VanDerWaalsContact C-N 3.34Å; N1481-C1484 PolarHBondContact O-N 3.5Å; N1481-S1485 WeakPolarHBondContact O-CB 3.33Å; N1481-S1485 PolarHBondContact O-N 2.97Å; N1481-S1485 PolarHBondContact O-OG 2.84Å; N1481-S1511 PolarHBondContact OD1-OG 3.19Å |
| 1482 | S | 91.2 | Very high | 88.1 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 176 | -59 | 0 | 0 | 0 | 0 | 111.3 | P1400 Q1478 L1479 L1480 S1485 A1486 | P1400-S1482 WeakPolarHBondContact CB-OG 3.27Å; Q1478-S1482 PolarHBondContact O-N 2.94Å; Q1478-S1482 PolarHBondContact O-OG 3.2Å; L1479-S1482 PolarHBondContact O-N 3.2Å; L1480-S1482 VanDerWaalsContact C-N 3.3Å; L1480-S1482 PolarHBondContact O-N 2.94Å; S1482-S1485 PolarHBondContact O-N 3.41Å; S1482-A1486 PolarHBondContact O-N 3.31Å |
| 1483 | L | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -46.5 | 175.3 | -177.4 | 140.4 | 0 | 0 | 0 | 112.4 | L1403 L1407 L1418 L1420 L1479 L1480 N1481 S1485 A1486 L1487 L1494 L1497 | L1403-L1483 HydrophobicContact CD2-CB 4.44Å; L1407-L1483 HydrophobicContact CD1-CB 4.3Å; L1407-L1483 HydrophobicContact CD1-CD1 4.41Å; L1407-L1483 HydrophobicContact CD1-CG 4.29Å; L1418-L1483 HydrophobicContact CD2-CD1 3.69Å; L1420-L1483 HydrophobicContact CD1-CD1 3.85Å; L1479-L1483 PolarHBondContact O-N 3.25Å; L1479-L1483 VanDerWaalsContact O-N 3.08Å; L1480-L1483 HydrophobicContact CD1-CD2 4.44Å; L1480-L1483 WeakPolarHBondContact O-CB 3.19Å; L1480-L1483 PolarHBondContact O-N 2.93Å; N1481-L1483 VanDerWaalsContact C-N 3.34Å; L1483-S1485 VanDerWaalsContact C-N 3.29Å; L1483-S1485 PolarHBondContact O-N 3Å; L1483-A1486 PolarHBondContact O-N 3.1Å; L1483-L1487 HydrophobicContact CD2-CD1 3.51Å; L1483-L1487 HydrophobicContact CD2-CG 4.4Å; L1483-L1487 HydrophobicContact CG-CD1 4.31Å; L1483-L1487 WeakPolarHBondContact O-CG 3.46Å; L1483-L1487 PolarHBondContact O-N 3.02Å; L1483-L1494 HydrophobicContact CD1-CD1 4.17Å; L1483-L1497 HydrophobicContact CD1-CD1 3.58Å; L1483-L1497 HydrophobicContact CD2-CD1 4.05Å; L1483-L1497 HydrophobicContact CD2-CD2 3.58Å; L1483-L1497 HydrophobicContact CD2-CG 4.47Å |
| 1484 | C | 92.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 174.5 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | L1480 N1481 A1486 L1487 I1488 L1515 | L1480-C1484 WeakPolarHBondContact O-CB 3.5Å; L1480-C1484 PolarHBondContact O-N 3.03Å; L1480-C1484 PolarHBondContact O-SG 2.68Å; N1481-C1484 PolarHBondContact O-N 3.5Å; C1484-A1486 VanDerWaalsContact C-N 3.32Å; C1484-A1486 PolarHBondContact O-N 3.38Å; C1484-L1487 PolarHBondContact O-N 2.66Å; C1484-I1488 HydrophobicContact CB-CD1 4.47Å; C1484-I1488 WeakPolarHBondContact O-CB 3.43Å; C1484-I1488 WeakPolarHBondContact O-CD1 3.36Å; C1484-I1488 WeakPolarHBondContact O-CG1 3.43Å; C1484-I1488 PolarHBondContact O-N 3.22Å; C1484-L1515 HydrophobicContact CB-CD1 4.49Å |
| 1485 | S | 91.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 31% | 0.308 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.3 | -41.2 | 177.6 | -64.3 | 0 | 0 | 0 | 0 | 112 | N1481 S1482 L1483 K1489 | N1481-S1485 WeakPolarHBondContact O-CB 3.33Å; N1481-S1485 PolarHBondContact O-N 2.97Å; N1481-S1485 PolarHBondContact O-OG 2.84Å; S1482-S1485 PolarHBondContact O-N 3.41Å; L1483-S1485 VanDerWaalsContact C-N 3.29Å; L1483-S1485 PolarHBondContact O-N 3Å; S1485-K1489 VanDerWaalsContact O-CB 3.32Å; S1485-K1489 WeakPolarHBondContact O-CB 3.3Å; S1485-K1489 WeakPolarHBondContact O-CD 3.27Å; S1485-K1489 WeakPolarHBondContact O-CG 3.41Å; S1485-K1489 PolarHBondContact O-N 3.1Å; S1485-K1489 VanDerWaalsContact O-N 3.1Å |
| 1486 | A | 89.6 | Confident | 90.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1407 S1482 L1483 C1484 G1490 N1491 | L1407-A1486 HydrophobicContact CB-CB 3.99Å; L1407-A1486 HydrophobicContact CD1-CB 3.99Å; S1482-A1486 PolarHBondContact O-N 3.31Å; L1483-A1486 PolarHBondContact O-N 3.1Å; C1484-A1486 VanDerWaalsContact C-N 3.32Å; C1484-A1486 PolarHBondContact O-N 3.38Å; A1486-G1490 PolarHBondContact O-N 2.94Å; A1486-N1491 HydrophobicContact CB-CB 4.5Å; A1486-N1491 WeakPolarHBondContact O-CB 3.41Å; A1486-N1491 PolarHBondContact O-N 2.73Å |
| 1487 | L | 91.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -46.3 | 177.6 | -73.6 | 171.1 | 0 | 0 | 0 | 112.5 | L1483 C1484 K1489 G1490 I1492 L1494 L1515 I1521 I1523 | L1483-L1487 HydrophobicContact CD2-CD1 3.51Å; L1483-L1487 HydrophobicContact CD2-CG 4.4Å; L1483-L1487 HydrophobicContact CG-CD1 4.31Å; L1483-L1487 WeakPolarHBondContact O-CG 3.46Å; L1483-L1487 PolarHBondContact O-N 3.02Å; C1484-L1487 PolarHBondContact O-N 2.66Å; L1487-K1489 VanDerWaalsContact C-N 3.33Å; L1487-K1489 PolarHBondContact O-N 3.23Å; L1487-G1490 WeakPolarHBondContact O-CA 3.3Å; L1487-G1490 PolarHBondContact O-N 3.23Å; L1487-I1492 HydrophobicContact CD2-CG2 3.68Å; L1487-I1492 WeakPolarHBondContact CD2-O 3.45Å; L1487-I1492 HydrophobicContact CG-CG2 4.2Å; L1487-L1494 HydrophobicContact CD1-CD1 4.5Å; L1487-L1494 HydrophobicContact CD2-CB 4.04Å; L1487-L1494 HydrophobicContact CD2-CD1 4.22Å; L1487-L1494 HydrophobicContact CD2-CG 4.01Å; L1487-L1515 HydrophobicContact CB-CD1 3.77Å; L1487-L1515 HydrophobicContact CD1-CD1 3.71Å; L1487-L1515 HydrophobicContact CD1-CD2 4.29Å; L1487-L1515 HydrophobicContact CG-CD1 4.42Å; L1487-I1521 HydrophobicContact CB-CD1 3.98Å; L1487-I1523 HydrophobicContact CD1-CD1 3.72Å; L1487-I1523 HydrophobicContact CD1-CG1 4.46Å |
| 1488 | I | 90.3 | Very high | 91.2 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 32% | 0.323 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 179.8 | -68 | 166.1 | 0 | 0 | 0 | 110.8 | C1484 G1490 S1514 L1515 T1518 | C1484-I1488 HydrophobicContact CB-CD1 4.47Å; C1484-I1488 WeakPolarHBondContact O-CB 3.43Å; C1484-I1488 WeakPolarHBondContact O-CD1 3.36Å; C1484-I1488 WeakPolarHBondContact O-CG1 3.43Å; C1484-I1488 PolarHBondContact O-N 3.22Å; I1488-G1490 PolarHBondContact O-N 3.36Å; I1488-S1514 WeakPolarHBondContact CD1-OG 3.45Å; I1488-L1515 HydrophobicContact CG1-CD1 4.25Å; I1488-T1518 HydrophobicContact CG2-CG2 4.35Å |
| 1489 | K | 88 | Confident | 91.4 | Very high | 156 Ų | 156 | 39.8 Ų | 39.8 | 68% | 0.678 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.6 | 172.6 | -72.7 | 175.3 | -177.2 | -179.2 | 0 | 113.2 | S1485 L1487 N1491 | S1485-K1489 VanDerWaalsContact O-CB 3.32Å; S1485-K1489 WeakPolarHBondContact O-CB 3.3Å; S1485-K1489 WeakPolarHBondContact O-CD 3.27Å; S1485-K1489 WeakPolarHBondContact O-CG 3.41Å; S1485-K1489 PolarHBondContact O-N 3.1Å; S1485-K1489 VanDerWaalsContact O-N 3.1Å; L1487-K1489 VanDerWaalsContact C-N 3.33Å; L1487-K1489 PolarHBondContact O-N 3.23Å; K1489-N1491 VanDerWaalsContact C-N 3.29Å; K1489-N1491 PolarHBondContact O-N 3.06Å |
| 1490 | G | 84.2 | Confident | 91.2 | Very high | 51 Ų | 51 | 39.8 Ų | 39.8 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 18 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | A1486 L1487 I1488 I1492 | A1486-G1490 PolarHBondContact O-N 2.94Å; L1487-G1490 WeakPolarHBondContact O-CA 3.3Å; L1487-G1490 PolarHBondContact O-N 3.23Å; I1488-G1490 PolarHBondContact O-N 3.36Å; G1490-I1492 VanDerWaalsContact C-N 3.26Å; G1490-I1492 PolarHBondContact O-N 3.01Å |
| 1491 | N | 83.7 | Confident | 90.8 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -66.2 | -33.2 | 178.6 | -68.8 | 0.8 | 0 | 0 | 0 | 111.4 | A1486 K1489 | A1486-N1491 HydrophobicContact CB-CB 4.5Å; A1486-N1491 WeakPolarHBondContact O-CB 3.41Å; A1486-N1491 PolarHBondContact O-N 2.73Å; K1489-N1491 VanDerWaalsContact C-N 3.29Å; K1489-N1491 PolarHBondContact O-N 3.06Å |
| 1492 | I | 87.9 | Confident | 90.4 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -142.8 | 157.8 | -179.4 | -157.1 | 167.9 | 0 | 0 | 0 | 110.2 | L1407 L1412 L1415 L1487 G1490 L1494 | L1407-I1492 HydrophobicContact CD2-CD1 3.61Å; L1407-I1492 HydrophobicContact CD2-CG2 4.49Å; L1412-I1492 HydrophobicContact CB-CD1 4.35Å; L1415-I1492 HydrophobicContact CB-CD1 3.91Å; L1415-I1492 HydrophobicContact CB-CG1 4.38Å; L1415-I1492 HydrophobicContact CD2-CD1 3.75Å; L1415-I1492 HydrophobicContact CG-CD1 4.38Å; L1487-I1492 HydrophobicContact CD2-CG2 3.68Å; L1487-I1492 WeakPolarHBondContact CD2-O 3.45Å; L1487-I1492 HydrophobicContact CG-CG2 4.2Å; G1490-I1492 VanDerWaalsContact C-N 3.26Å; G1490-I1492 PolarHBondContact O-N 3.01Å; I1492-L1494 HydrophobicContact CD1-CD2 4.41Å; I1492-L1494 HydrophobicContact CG2-CG 4.47Å | ||
| 1493 | R | 88 | Confident | 90 | Very high | 183 Ų | 183 | 39.4 Ų | 39.4 | 69% | 0.691 | 20% | 0.199 | S | C | * | . | trans | -129.3 | 97.2 | 178.2 | -71 | -173.9 | 178.8 | -176.7 | -0.6 | 110.8 | ||||
| 1494 | L | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -91.3 | 145.2 | 179.3 | -64.5 | 174.2 | 0 | 0 | 0 | 111.9 | L1415 L1418 L1483 L1487 I1492 S1522 I1523 | L1415-L1494 HydrophobicContact CB-CD2 4.41Å; L1415-L1494 HydrophobicContact CD2-CD2 3.99Å; L1415-L1494 HydrophobicContact CG-CD2 3.91Å; L1418-L1494 HydrophobicContact CB-CD1 3.97Å; L1418-L1494 HydrophobicContact CB-CD2 3.93Å; L1418-L1494 HydrophobicContact CD2-CD1 4.12Å; L1483-L1494 HydrophobicContact CD1-CD1 4.17Å; L1487-L1494 HydrophobicContact CD1-CD1 4.5Å; L1487-L1494 HydrophobicContact CD2-CB 4.04Å; L1487-L1494 HydrophobicContact CD2-CD1 4.22Å; L1487-L1494 HydrophobicContact CD2-CG 4.01Å; I1492-L1494 HydrophobicContact CD1-CD2 4.41Å; I1492-L1494 HydrophobicContact CG2-CG 4.47Å; L1494-S1522 CarbonylContact O-C 3.58Å; L1494-S1522 VanDerWaalsContact O-O 3.12Å; L1494-S1522 PolarHBondContact O-OG 3.22Å; L1494-I1523 HydrophobicContact CB-CG1 4.41Å; L1494-I1523 WeakPolarHBondContact O-CA 3.43Å; L1494-I1523 PolarHBondContact O-N 3.49Å; L1494-I1523 VanDerWaalsContact O-N 3.12Å | ||
| 1495 | Q | 94.2 | Very high | 89.3 | Confident | 80 Ų | 80 | 39.5 Ų | 39.5 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -103.6 | -42.8 | 169.8 | -66.6 | -177.2 | -21.9 | 0 | 0 | 111.1 | K1416 S1522 I1523 T1524 T1525 | K1416-Q1495 HydrophobicContact CB-CB 4.38Å; K1416-Q1495 HydrophobicContact CB-CG 4.32Å; K1416-Q1495 HydrophobicContact CG-CG 4.46Å; K1416-Q1495 WeakPolarHBondContact O-CA 3.47Å; K1416-Q1495 PolarHBondContact O-N 2.69Å; Q1495-S1522 WeakPolarHBondContact CA-O 3.44Å; Q1495-I1523 CarbonylContact O-C 3.56Å; Q1495-T1524 PolarHBondContact O-N 3.06Å; Q1495-T1524 PolarHBondContact O-OG1 3.24Å; Q1495-T1524 VanDerWaalsContact O-OG1 3.04Å; Q1495-T1525 PolarHBondContact O-N 3.07Å |
| 1496 | I | 96.7 | Very high | 88.8 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 30% | 0.297 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.2 | -179.2 | -53.6 | 178.3 | 0 | 0 | 0 | 109 | K1416 C1417 L1418 T1525 | K1416-I1496 PolarHBondContact O-N 3.2Å; C1417-I1496 WeakPolarHBondContact CA-O 3.48Å; C1417-I1496 HydrophobicContact CB-CB 4Å; C1417-I1496 HydrophobicContact CB-CD1 4.43Å; L1418-I1496 PolarHBondContact N-O 2.85Å; I1496-T1525 WeakPolarHBondContact CA-O 3.14Å; I1496-T1525 HydrophobicContact CG2-CG2 4.21Å |
| 1497 | L | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.5 | 174.7 | 176.9 | 63.2 | 0 | 0 | 0 | 110 | L1480 L1483 M1499 I1523 T1525 L1526 I1527 | L1480-L1497 HydrophobicContact CD1-CD2 4.36Å; L1483-L1497 HydrophobicContact CD1-CD1 3.58Å; L1483-L1497 HydrophobicContact CD2-CD1 4.05Å; L1483-L1497 HydrophobicContact CD2-CD2 3.58Å; L1483-L1497 HydrophobicContact CD2-CG 4.47Å; L1497-M1499 HydrophobicContact CD1-CG 3.96Å; L1497-M1499 HydrophobicContact CD1-SD 4.42Å; L1497-M1499 HydrophobicContact CD2-CG 4.38Å; L1497-M1499 HydrophobicContact CD2-SD 4.32Å; L1497-M1499 HydrophobicContact CG-CG 4.03Å; L1497-I1523 HydrophobicContact CD2-CD1 4.24Å; L1497-T1525 PolarHBondContact N-O 3.07Å; L1497-L1526 HydrophobicContact CB-CD1 4.33Å; L1497-L1526 HydrophobicContact CD2-CD1 3.96Å; L1497-L1526 HydrophobicContact CG-CD1 4.28Å; L1497-I1527 PolarHBondContact O-N 3.3Å |
| 1498 | D | 96 | Very high | 88.3 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.2 | 172.9 | -176.7 | -5.6 | 0 | 0 | 0 | 111.1 | L1418 R1419 L1420 G1500 I1527 | L1418-D1498 PolarHBondContact O-N 3.42Å; L1418-D1498 VanDerWaalsContact O-N 3.09Å; R1419-D1498 HydrophobicContact CB-CB 4.15Å; R1419-D1498 HydrophobicContact CG-CB 4.06Å; L1420-D1498 PolarHBondContact N-O 3.08Å; D1498-G1500 PolarHBondContact OD1-N 2.76Å; D1498-I1527 HydrophobicContact CB-CB 4.17Å; D1498-I1527 HydrophobicContact CB-CD1 4.31Å |
| 1499 | M | 94.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -127.7 | 33.7 | 175.6 | -64.4 | -158.9 | 68 | 0 | 0 | 111.7 | L1479 L1480 L1497 C1502 L1504 I1527 I1528 N1531 | L1479-M1499 HydrophobicContact CD2-CE 3.67Å; L1480-M1499 HydrophobicContact CB-CE 3.76Å; L1480-M1499 HydrophobicContact CB-SD 3.78Å; L1480-M1499 HydrophobicContact CD1-SD 3.42Å; L1480-M1499 WeakPolarHBondContact CD1-SD 3.5Å; L1480-M1499 HydrophobicContact CG-SD 4.1Å; L1497-M1499 HydrophobicContact CD1-CG 3.96Å; L1497-M1499 HydrophobicContact CD1-SD 4.42Å; L1497-M1499 HydrophobicContact CD2-CG 4.38Å; L1497-M1499 HydrophobicContact CD2-SD 4.32Å; L1497-M1499 HydrophobicContact CG-CG 4.03Å; M1499-C1502 HydrophobicContact CE-CB 4.29Å; M1499-C1502 WeakPolarHBondContact O-CB 3.3Å; M1499-C1502 PolarHBondContact O-SG 3.31Å; M1499-L1504 HydrophobicContact CB-CD1 4.27Å; M1499-L1504 HydrophobicContact CE-CD2 4.22Å; M1499-I1527 CarbonylContact C-O 3.55Å; M1499-I1527 PolarHBondContact N-O 3.08Å; M1499-I1528 HydrophobicContact CB-CG2 4.46Å; M1499-N1531 PolarHBondContact O-ND2 2.9Å; M1499-N1531 VanDerWaalsContact O-ND2 3.17Å | ||
| 1500 | G | 88.5 | Confident | 88 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 149.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1421 G1422 D1498 C1502 D1529 | R1421-G1500 CarbonylContact C-O 3.55Å; R1421-G1500 VanDerWaalsContact CA-O 3.26Å; R1421-G1500 WeakPolarHBondContact CA-O 3.37Å; R1421-G1500 VanDerWaalsContact CG-O 3.3Å; R1421-G1500 WeakPolarHBondContact CG-O 3.46Å; G1422-G1500 PolarHBondContact N-O 3.37Å; D1498-G1500 PolarHBondContact OD1-N 2.76Å; G1500-C1502 PolarHBondContact O-N 3.25Å; G1500-C1502 PolarHBondContact O-SG 3.29Å; G1500-C1502 VanDerWaalsContact O-SG 3.37Å; G1500-D1529 VanDerWaalsContact CA-O 3.24Å; G1500-D1529 WeakPolarHBondContact CA-O 3.49Å; G1500-D1529 VanDerWaalsContact CA-OD1 3.25Å; G1500-D1529 WeakPolarHBondContact CA-OD1 3.27Å |
| 1501 | H | 83.7 | Confident | 88.3 | Confident | 47 Ų | 47 | 34.2 Ų | 34.2 | 22% | 0.218 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 24.1 | 178.3 | -59.5 | -92.4 | 0 | 0 | 0 | 115.9 | W1394 R1421 Q1503 D1529 H1530 | W1394-H1501 HydrophobicContact CH2-CB 4.41Å; R1421-H1501 VanDerWaalsContact CZ-CD2 3.41Å; R1421-H1501 PolarHBondContact NE-CD2 3.08Å; R1421-H1501 PolarHBondContact NH2-CD2 3.25Å; R1421-H1501 PolarHBondContact NH2-NE2 3.24Å; H1501-Q1503 VanDerWaalsContact C-N 3.32Å; H1501-Q1503 PolarHBondContact O-N 3.24Å; H1501-D1529 PolarHBondContact N-O 2.86Å; H1501-H1530 WeakPolarHBondContact CE1-CB 3.37Å; H1501-H1530 AromaticContact CE1-CD2 3.54Å; H1501-H1530 AromaticContact CE1-CG 3.41Å; H1501-H1530 VanDerWaalsContact CE1-CG 3.41Å; H1501-H1530 WeakPolarHBondContact ND1-CB 3.48Å; H1501-H1530 AromaticContact NE2-CD2 3.2Å; H1501-H1530 PolarHBondContact NE2-CD2 2.85Å; H1501-H1530 AromaticContact NE2-CG 3.53Å |
| 1502 | C | 86.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -89.5 | 9.4 | -178.1 | -70.9 | 0 | 0 | 0 | 0 | 113.8 | L1420 S1424 G1476 M1499 G1500 L1504 N1531 | L1420-C1502 PolarHBondContact O-SG 3.12Å; S1424-C1502 WeakPolarHBondContact CB-O 3.49Å; S1424-C1502 VanDerWaalsContact OG-C 3.27Å; S1424-C1502 PolarHBondContact OG-O 3.04Å; G1476-C1502 VanDerWaalsContact CA-O 3.27Å; G1476-C1502 WeakPolarHBondContact CA-O 3.28Å; M1499-C1502 HydrophobicContact CE-CB 4.29Å; M1499-C1502 WeakPolarHBondContact O-CB 3.3Å; M1499-C1502 PolarHBondContact O-SG 3.31Å; G1500-C1502 PolarHBondContact O-N 3.25Å; G1500-C1502 PolarHBondContact O-SG 3.29Å; G1500-C1502 VanDerWaalsContact O-SG 3.37Å; C1502-L1504 HydrophobicContact CB-CD2 4.27Å; C1502-L1504 HydrophobicContact CB-CG 4.11Å; C1502-L1504 PolarHBondContact O-N 3.25Å; C1502-N1531 PolarHBondContact N-OD1 3.45Å; C1502-N1531 VanDerWaalsContact N-OD1 3.13Å |
| 1503 | Q | 82.1 | Confident | 88.7 | Confident | 45 Ų | 45 | 34.1 Ų | 34.1 | 21% | 0.21 | 16% | 0.16 | C | C | . | . | trans | 55.3 | 38.6 | -177.5 | -56.5 | 170.3 | -0 | 0 | 0 | 112.3 | S1424 S1474 H1501 N1531 | S1424-Q1503 WeakPolarHBondContact OG-CG 3.44Å; S1474-Q1503 VanDerWaalsContact CB-O 3.31Å; S1474-Q1503 WeakPolarHBondContact CB-O 3.23Å; S1474-Q1503 PolarHBondContact OG-O 3.27Å; H1501-Q1503 VanDerWaalsContact C-N 3.32Å; H1501-Q1503 PolarHBondContact O-N 3.24Å; Q1503-N1531 PolarHBondContact N-OD1 3.32Å | ||
| 1504 | L | 85.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -63.5 | 138.8 | 177.5 | -63 | 177.8 | 0 | 0 | 0 | 110.4 | D1477 L1480 M1499 C1502 C1508 I1528 N1531 M1533 L1534 | D1477-L1504 WeakPolarHBondContact OD1-CA 3.44Å; L1480-L1504 HydrophobicContact CB-CD2 4.37Å; L1480-L1504 HydrophobicContact CD2-CD2 4.4Å; M1499-L1504 HydrophobicContact CB-CD1 4.27Å; M1499-L1504 HydrophobicContact CE-CD2 4.22Å; C1502-L1504 HydrophobicContact CB-CD2 4.27Å; C1502-L1504 HydrophobicContact CB-CG 4.11Å; C1502-L1504 PolarHBondContact O-N 3.25Å; L1504-C1508 HydrophobicContact CB-CB 4.43Å; L1504-C1508 HydrophobicContact CD2-CB 4.41Å; L1504-I1528 HydrophobicContact CD1-CG2 4.06Å; L1504-N1531 HydrophobicContact CB-CB 4.21Å; L1504-N1531 PolarHBondContact N-OD1 2.99Å; L1504-M1533 WeakPolarHBondContact O-CB 3.45Å; L1504-L1534 HydrophobicContact CB-CD1 3.88Å; L1504-L1534 HydrophobicContact CB-CD2 4.35Å; L1504-L1534 HydrophobicContact CB-CG 4.17Å; L1504-L1534 HydrophobicContact CD1-CD1 4.4Å | ||
| 1505 | T | 83.9 | Confident | 88.7 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | trans | -118.5 | -176.4 | 176.3 | 78.2 | 0 | 0 | 0 | 0 | 110.4 | F1470 D1477 H1507 C1508 M1533 L1534 | F1470-T1505 HydrophobicContact CD2-CG2 4.47Å; D1477-T1505 PolarHBondContact OD1-N 3.27Å; D1477-T1505 WeakPolarHBondContact OD2-CB 3.06Å; D1477-T1505 PolarHBondContact OD2-N 3.43Å; D1477-T1505 PolarHBondContact OD2-OG1 3.3Å; T1505-H1507 PolarHBondContact O-N 3.18Å; T1505-H1507 PolarHBondContact OG1-CD2 3.26Å; T1505-H1507 PolarHBondContact OG1-N 3.32Å; T1505-C1508 VanDerWaalsContact O-CB 3.32Å; T1505-C1508 WeakPolarHBondContact O-CB 3.11Å; T1505-C1508 PolarHBondContact O-N 3.32Å; T1505-C1508 PolarHBondContact O-SG 3.48Å; T1505-M1533 HydrophobicContact CG2-CB 4.16Å; T1505-M1533 HydrophobicContact CG2-CG 4.48Å; T1505-L1534 VanDerWaalsContact O-CD2 3.29Å; T1505-L1534 WeakPolarHBondContact O-CD2 3.42Å | ||
| 1506 | Y | 81.4 | Confident | 88.5 | Confident | 45 Ų | 45 | 24.5 Ų | 24.5 | 18% | 0.176 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.4 | 178.4 | 79.4 | -89.9 | 0 | 0 | 0 | 114 | F1470 C1508 L1509 V1537 V1539 | F1470-Y1506 HydrophobicContact CB-CE1 4.34Å; F1470-Y1506 PolarHBondContact O-OH 3.21Å; Y1506-C1508 PolarHBondContact O-N 3.24Å; Y1506-L1509 VanDerWaalsContact O-CB 3.29Å; Y1506-L1509 WeakPolarHBondContact O-CB 3.47Å; Y1506-L1509 WeakPolarHBondContact O-CD1 3.39Å; Y1506-L1509 WeakPolarHBondContact O-CG 3.31Å; Y1506-L1509 PolarHBondContact O-N 2.53Å; Y1506-V1537 HydrophobicContact CD1-CG1 3.83Å; Y1506-V1537 HydrophobicContact CG-CG1 4.14Å; Y1506-V1539 HydrophobicContact CD2-CB 4.38Å; Y1506-V1539 HydrophobicContact CD2-CG1 3.6Å; Y1506-V1539 HydrophobicContact CD2-CG2 3.93Å; Y1506-V1539 HydrophobicContact CE2-CG1 3.81Å; Y1506-V1539 HydrophobicContact CG-CG1 4.37Å; Y1506-V1539 HydrophobicContact CG-CG2 3.98Å |
| 1507 | H | 83.2 | Confident | 88 | Confident | 41 Ų | 41 | 23.3 Ų | 23.3 | 19% | 0.19 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.9 | 175 | -70.9 | -72.8 | 0 | 0 | 0 | 112.8 | F1470 K1472 P1473 D1477 T1505 L1509 | F1470-H1507 PolarHBondContact O-NE2 3.47Å; K1472-H1507 PolarHBondContact O-NE2 2.81Å; P1473-H1507 HydrophobicContact CB-CB 3.89Å; D1477-H1507 HydrophobicContact CB-CB 4.14Å; T1505-H1507 PolarHBondContact O-N 3.18Å; T1505-H1507 PolarHBondContact OG1-CD2 3.26Å; T1505-H1507 PolarHBondContact OG1-N 3.32Å; H1507-L1509 PolarHBondContact O-N 2.96Å |
| 1508 | C | 87.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.8 | -26.9 | 175.7 | 83.3 | 0 | 0 | 0 | 0 | 112.7 | D1477 L1480 L1504 T1505 Y1506 T1510 S1511 L1512 | D1477-C1508 WeakPolarHBondContact OD1-CB 3.49Å; D1477-C1508 PolarHBondContact OD1-N 3.36Å; L1480-C1508 HydrophobicContact CD2-CB 3.65Å; L1504-C1508 HydrophobicContact CB-CB 4.43Å; L1504-C1508 HydrophobicContact CD2-CB 4.41Å; T1505-C1508 VanDerWaalsContact O-CB 3.32Å; T1505-C1508 WeakPolarHBondContact O-CB 3.11Å; T1505-C1508 PolarHBondContact O-N 3.32Å; T1505-C1508 PolarHBondContact O-SG 3.48Å; Y1506-C1508 PolarHBondContact O-N 3.24Å; C1508-T1510 VanDerWaalsContact C-N 3.34Å; C1508-T1510 PolarHBondContact O-N 3.3Å; C1508-S1511 WeakPolarHBondContact O-CB 3.12Å; C1508-S1511 PolarHBondContact O-N 2.87Å; C1508-S1511 VanDerWaalsContact O-N 3.13Å; C1508-L1512 WeakPolarHBondContact O-CG 3.32Å; C1508-L1512 PolarHBondContact O-N 3.38Å |
| 1509 | L | 85.5 | Confident | 86.9 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -36.9 | -170.4 | -61.3 | 173.5 | 0 | 0 | 0 | 112.6 | Y1506 H1507 S1511 L1512 K1513 S1547 R1550 I1551 | Y1506-L1509 VanDerWaalsContact O-CB 3.29Å; Y1506-L1509 WeakPolarHBondContact O-CB 3.47Å; Y1506-L1509 WeakPolarHBondContact O-CD1 3.39Å; Y1506-L1509 WeakPolarHBondContact O-CG 3.31Å; Y1506-L1509 PolarHBondContact O-N 2.53Å; H1507-L1509 PolarHBondContact O-N 2.96Å; L1509-S1511 VanDerWaalsContact C-N 3.31Å; L1509-L1512 PolarHBondContact O-N 2.99Å; L1509-K1513 VanDerWaalsContact O-CB 3.29Å; L1509-K1513 WeakPolarHBondContact O-CB 3.49Å; L1509-K1513 VanDerWaalsContact O-CG 3.27Å; L1509-K1513 WeakPolarHBondContact O-CG 3.29Å; L1509-K1513 PolarHBondContact O-N 3.41Å; L1509-S1547 VanDerWaalsContact CD2-O 3.31Å; L1509-S1547 WeakPolarHBondContact CD2-O 2.99Å; L1509-R1550 HydrophobicContact CD1-CB 4.03Å; L1509-R1550 HydrophobicContact CD2-CB 4.08Å; L1509-I1551 HydrophobicContact CD2-CD1 4.07Å; L1509-I1551 HydrophobicContact CD2-CG1 3.31Å |
| 1510 | T | 85.6 | Confident | 86.3 | Confident | 107 Ų | 107 | 32.9 Ų | 32.9 | 66% | 0.656 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.4 | -43.6 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 110 | C1508 S1514 | C1508-T1510 VanDerWaalsContact C-N 3.34Å; C1508-T1510 PolarHBondContact O-N 3.3Å; T1510-S1514 VanDerWaalsContact O-CB 3.3Å; T1510-S1514 WeakPolarHBondContact O-CB 3.09Å; T1510-S1514 PolarHBondContact O-N 3.19Å |
| 1511 | S | 90.1 | Very high | 86.3 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 177.5 | -51.7 | 0 | 0 | 0 | 0 | 112 | N1481 C1508 L1509 L1515 | N1481-S1511 PolarHBondContact OD1-OG 3.19Å; C1508-S1511 WeakPolarHBondContact O-CB 3.12Å; C1508-S1511 PolarHBondContact O-N 2.87Å; C1508-S1511 VanDerWaalsContact O-N 3.13Å; L1509-S1511 VanDerWaalsContact C-N 3.31Å; S1511-L1515 VanDerWaalsContact O-CB 3.22Å; S1511-L1515 WeakPolarHBondContact O-CB 3.17Å; S1511-L1515 PolarHBondContact O-N 3.18Å |
| 1512 | L | 91.5 | Very high | 86.4 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.8 | -41.2 | 178.2 | -67.7 | 177.8 | 0 | 0 | 0 | 112.6 | L1480 C1508 L1509 L1515 F1516 I1551 | L1480-L1512 HydrophobicContact CD1-CD2 4.13Å; L1480-L1512 HydrophobicContact CD2-CD2 3.96Å; L1480-L1512 HydrophobicContact CD2-CG 4Å; C1508-L1512 WeakPolarHBondContact O-CG 3.32Å; C1508-L1512 PolarHBondContact O-N 3.38Å; L1509-L1512 PolarHBondContact O-N 2.99Å; L1512-L1515 PolarHBondContact O-N 3.4Å; L1512-F1516 HydrophobicContact CB-CD2 4.3Å; L1512-F1516 HydrophobicContact CB-CE2 4.21Å; L1512-F1516 HydrophobicContact CD2-CE2 3.93Å; L1512-F1516 HydrophobicContact CD2-CZ 4.44Å; L1512-F1516 WeakPolarHBondContact O-CB 3.43Å; L1512-F1516 WeakPolarHBondContact O-CD2 3.39Å; L1512-F1516 PolarHBondContact O-N 3.4Å; L1512-I1551 HydrophobicContact CD1-CG1 4.27Å; L1512-I1551 HydrophobicContact CD1-CG2 4.44Å |
| 1513 | K | 88.5 | Confident | 86.8 | Confident | 67 Ų | 67 | 33.1 Ų | 33.1 | 29% | 0.291 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 174.7 | -77.8 | -179.3 | 177.5 | -168.9 | 0 | 111.8 | L1509 L1515 G1517 A1554 Q1557 | L1509-K1513 VanDerWaalsContact O-CB 3.29Å; L1509-K1513 WeakPolarHBondContact O-CB 3.49Å; L1509-K1513 VanDerWaalsContact O-CG 3.27Å; L1509-K1513 WeakPolarHBondContact O-CG 3.29Å; L1509-K1513 PolarHBondContact O-N 3.41Å; K1513-L1515 VanDerWaalsContact C-N 3.34Å; K1513-G1517 PolarHBondContact O-N 3.2Å; K1513-A1554 HydrophobicContact CB-CB 4.46Å; K1513-A1554 HydrophobicContact CG-CB 3.69Å; K1513-Q1557 PolarHBondContact O-OE1 2.74Å |
| 1514 | S | 89.6 | Confident | 87.3 | Confident | 61 Ų | 61 | 33 Ų | 33 | 43% | 0.427 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 111 | I1488 T1510 T1518 | I1488-S1514 WeakPolarHBondContact CD1-OG 3.45Å; T1510-S1514 VanDerWaalsContact O-CB 3.3Å; T1510-S1514 WeakPolarHBondContact O-CB 3.09Å; T1510-S1514 PolarHBondContact O-N 3.19Å; S1514-T1518 PolarHBondContact O-N 3.49Å; S1514-T1518 PolarHBondContact O-OG1 2.95Å |
| 1515 | L | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -57 | 179.3 | -175.9 | 66.4 | 0 | 0 | 0 | 111.8 | C1484 L1487 I1488 S1511 L1512 K1513 G1517 T1518 I1521 I1523 | C1484-L1515 HydrophobicContact CB-CD1 4.49Å; L1487-L1515 HydrophobicContact CB-CD1 3.77Å; L1487-L1515 HydrophobicContact CD1-CD1 3.71Å; L1487-L1515 HydrophobicContact CD1-CD2 4.29Å; L1487-L1515 HydrophobicContact CG-CD1 4.42Å; I1488-L1515 HydrophobicContact CG1-CD1 4.25Å; S1511-L1515 VanDerWaalsContact O-CB 3.22Å; S1511-L1515 WeakPolarHBondContact O-CB 3.17Å; S1511-L1515 PolarHBondContact O-N 3.18Å; L1512-L1515 PolarHBondContact O-N 3.4Å; K1513-L1515 VanDerWaalsContact C-N 3.34Å; L1515-G1517 VanDerWaalsContact C-N 3.28Å; L1515-G1517 PolarHBondContact O-N 3.05Å; L1515-T1518 PolarHBondContact O-N 3.46Å; L1515-I1521 HydrophobicContact CD1-CD1 3.8Å; L1515-I1521 HydrophobicContact CD1-CG1 3.95Å; L1515-I1521 HydrophobicContact CD1-CG2 3.94Å; L1515-I1521 HydrophobicContact CG-CG2 4.11Å; L1515-I1521 VanDerWaalsContact O-CG1 3.28Å; L1515-I1521 WeakPolarHBondContact O-CG1 3.21Å; L1515-I1523 HydrophobicContact CD2-CD1 3.61Å; L1515-I1523 HydrophobicContact CG-CD1 4.4Å |
| 1516 | F | 91.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.1 | -16 | -176 | -64.4 | -47.9 | 0 | 0 | 0 | 114.4 | L1512 I1523 L1526 A1554 I1555 A1559 S1560 V1562 | L1512-F1516 HydrophobicContact CB-CD2 4.3Å; L1512-F1516 HydrophobicContact CB-CE2 4.21Å; L1512-F1516 HydrophobicContact CD2-CE2 3.93Å; L1512-F1516 HydrophobicContact CD2-CZ 4.44Å; L1512-F1516 WeakPolarHBondContact O-CB 3.43Å; L1512-F1516 WeakPolarHBondContact O-CD2 3.39Å; L1512-F1516 PolarHBondContact O-N 3.4Å; F1516-I1523 HydrophobicContact CE1-CB 4.3Å; F1516-I1523 HydrophobicContact CE1-CG2 4.33Å; F1516-L1526 HydrophobicContact CE2-CD2 4.07Å; F1516-L1526 HydrophobicContact CZ-CD2 3.92Å; F1516-A1554 WeakPolarHBondContact CB-O 3.23Å; F1516-A1554 HydrophobicContact CD2-CB 4.25Å; F1516-I1555 HydrophobicContact CD2-CG1 3.9Å; F1516-I1555 HydrophobicContact CE2-CD1 4.49Å; F1516-I1555 HydrophobicContact CE2-CG1 3.75Å; F1516-I1555 HydrophobicContact CZ-CG1 4.37Å; F1516-A1559 CarbonylContact O-C 3.4Å; F1516-A1559 WeakPolarHBondContact O-CB 3.45Å; F1516-S1560 PolarHBondContact O-N 2.96Å; F1516-V1562 HydrophobicContact CD1-CG2 3.88Å; F1516-V1562 HydrophobicContact CE1-CG2 3.28Å; F1516-V1562 HydrophobicContact CZ-CG2 3.7Å |
| 1517 | G | 86.2 | Confident | 89 | Confident | 33 Ų | 33 | 33.9 Ų | 33.9 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -82.2 | -16.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1513 L1515 P1519 | K1513-G1517 PolarHBondContact O-N 3.2Å; L1515-G1517 VanDerWaalsContact C-N 3.28Å; L1515-G1517 PolarHBondContact O-N 3.05Å; G1517-P1519 WeakPolarHBondContact O-CD 3.42Å |
| 1518 | T | 87.4 | Confident | 89.4 | Confident | 37 Ų | 37 | 32.1 Ų | 32.1 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -82.5 | 117.1 | -179.7 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | I1488 S1514 L1515 G1520 I1521 | I1488-T1518 HydrophobicContact CG2-CG2 4.35Å; S1514-T1518 PolarHBondContact O-N 3.49Å; S1514-T1518 PolarHBondContact O-OG1 2.95Å; L1515-T1518 PolarHBondContact O-N 3.46Å; T1518-G1520 PolarHBondContact O-N 3.05Å; T1518-I1521 HydrophobicContact CG2-CG1 4.35Å; T1518-I1521 WeakPolarHBondContact O-CG1 3.5Å |
| 1519 | P | 81.1 | Confident | 89.4 | Confident | 111 Ų | 111 | 32.5 Ų | 32.5 | 72% | 0.721 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 136.5 | 177.6 | -21.6 | 33.4 | 0 | 0 | 0 | 111.7 | G1517 A1559 | G1517-P1519 WeakPolarHBondContact O-CD 3.42Å; P1519-A1559 HydrophobicContact CG-CB 4.49Å |
| 1520 | G | 81.6 | Confident | 89.3 | Confident | 70 Ų | 70 | 34.2 Ų | 34.2 | 72% | 0.722 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.3 | -2.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1518 S1522 | T1518-G1520 PolarHBondContact O-N 3.05Å; G1520-S1522 PolarHBondContact O-N 3.33Å |
| 1521 | I | 87 | Confident | 89.2 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 9% | 0.087 | 19% | 0.194 | C | C | . | . | trans | -65.5 | 127.2 | 169.1 | -65.2 | -58 | 0 | 0 | 0 | 110 | L1487 L1515 T1518 I1523 A1561 | L1487-I1521 HydrophobicContact CB-CD1 3.98Å; L1515-I1521 HydrophobicContact CD1-CD1 3.8Å; L1515-I1521 HydrophobicContact CD1-CG1 3.95Å; L1515-I1521 HydrophobicContact CD1-CG2 3.94Å; L1515-I1521 HydrophobicContact CG-CG2 4.11Å; L1515-I1521 VanDerWaalsContact O-CG1 3.28Å; L1515-I1521 WeakPolarHBondContact O-CG1 3.21Å; T1518-I1521 HydrophobicContact CG2-CG1 4.35Å; T1518-I1521 WeakPolarHBondContact O-CG1 3.5Å; I1521-I1523 HydrophobicContact CG2-CB 4.28Å; I1521-I1523 HydrophobicContact CG2-CD1 4.26Å; I1521-I1523 HydrophobicContact CG2-CG1 4.05Å; I1521-A1561 VanDerWaalsContact O-CB 3.31Å; I1521-A1561 WeakPolarHBondContact O-CB 3.22Å | ||
| 1522 | S | 87.4 | Confident | 88.2 | Confident | 35 Ų | 35 | 30.1 Ų | 30.1 | 25% | 0.245 | 20% | 0.2 | C | C | . | . | trans | -96.3 | 9.3 | -170.7 | 56.2 | 0 | 0 | 0 | 0 | 115.2 | L1494 Q1495 G1520 T1524 | L1494-S1522 CarbonylContact O-C 3.58Å; L1494-S1522 VanDerWaalsContact O-O 3.12Å; L1494-S1522 PolarHBondContact O-OG 3.22Å; Q1495-S1522 WeakPolarHBondContact CA-O 3.44Å; G1520-S1522 PolarHBondContact O-N 3.33Å; S1522-T1524 PolarHBondContact O-N 3.42Å; S1522-T1524 VanDerWaalsContact O-N 3.11Å | ||
| 1523 | I | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -68.3 | 112.4 | -176.8 | -64.6 | 175.9 | 0 | 0 | 0 | 109.3 | L1487 L1494 Q1495 L1497 L1515 F1516 I1521 A1561 V1562 | L1487-I1523 HydrophobicContact CD1-CD1 3.72Å; L1487-I1523 HydrophobicContact CD1-CG1 4.46Å; L1494-I1523 HydrophobicContact CB-CG1 4.41Å; L1494-I1523 WeakPolarHBondContact O-CA 3.43Å; L1494-I1523 PolarHBondContact O-N 3.49Å; L1494-I1523 VanDerWaalsContact O-N 3.12Å; Q1495-I1523 CarbonylContact O-C 3.56Å; L1497-I1523 HydrophobicContact CD2-CD1 4.24Å; L1515-I1523 HydrophobicContact CD2-CD1 3.61Å; L1515-I1523 HydrophobicContact CG-CD1 4.4Å; F1516-I1523 HydrophobicContact CE1-CB 4.3Å; F1516-I1523 HydrophobicContact CE1-CG2 4.33Å; I1521-I1523 HydrophobicContact CG2-CB 4.28Å; I1521-I1523 HydrophobicContact CG2-CD1 4.26Å; I1521-I1523 HydrophobicContact CG2-CG1 4.05Å; I1523-A1561 CarbonylContact O-C 3.49Å; I1523-V1562 HydrophobicContact CG2-CG2 4.27Å; I1523-V1562 WeakPolarHBondContact O-CA 3.34Å; I1523-V1562 WeakPolarHBondContact O-CG2 3.35Å; I1523-V1562 PolarHBondContact O-N 3.37Å; I1523-V1562 VanDerWaalsContact O-N 3.14Å | ||
| 1524 | T | 93.6 | Very high | 86.6 | Confident | 43 Ų | 43 | 29.3 Ų | 29.3 | 26% | 0.264 | 20% | 0.198 | S | C | . | . | trans | -95.6 | -32.4 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | Q1495 S1522 V1563 S1564 | Q1495-T1524 PolarHBondContact O-N 3.06Å; Q1495-T1524 PolarHBondContact O-OG1 3.24Å; Q1495-T1524 VanDerWaalsContact O-OG1 3.04Å; S1522-T1524 PolarHBondContact O-N 3.42Å; S1522-T1524 VanDerWaalsContact O-N 3.11Å; T1524-V1563 WeakPolarHBondContact O-CG2 3.48Å; T1524-V1563 PolarHBondContact O-N 3.33Å; T1524-S1564 PolarHBondContact O-N 2.96Å | ||
| 1525 | T | 96.2 | Very high | 85.5 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 17% | 0.172 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122.6 | -177 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | Q1495 I1496 L1497 I1527 S1564 | Q1495-T1525 PolarHBondContact O-N 3.07Å; I1496-T1525 WeakPolarHBondContact CA-O 3.14Å; I1496-T1525 HydrophobicContact CG2-CG2 4.21Å; L1497-T1525 PolarHBondContact N-O 3.07Å; T1525-I1527 HydrophobicContact CG2-CG1 4.33Å; T1525-S1564 WeakPolarHBondContact CA-O 3.35Å |
| 1526 | L | 95 | Very high | 83.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.5 | 175.8 | -178.6 | 69.5 | 0 | 0 | 0 | 110.3 | L1497 F1516 I1528 I1555 S1564 L1565 T1566 | L1497-L1526 HydrophobicContact CB-CD1 4.33Å; L1497-L1526 HydrophobicContact CD2-CD1 3.96Å; L1497-L1526 HydrophobicContact CG-CD1 4.28Å; F1516-L1526 HydrophobicContact CE2-CD2 4.07Å; F1516-L1526 HydrophobicContact CZ-CD2 3.92Å; L1526-I1528 HydrophobicContact CD1-CG2 4.02Å; L1526-I1528 HydrophobicContact CD2-CD1 4.4Å; L1526-I1528 HydrophobicContact CD2-CG2 4.27Å; L1526-I1528 HydrophobicContact CG-CG2 4Å; L1526-I1555 HydrophobicContact CD2-CD1 4.14Å; L1526-S1564 PolarHBondContact N-O 2.94Å; L1526-L1565 HydrophobicContact CB-CD1 4.18Å; L1526-L1565 HydrophobicContact CD2-CD1 3.95Å; L1526-L1565 HydrophobicContact CG-CD1 4.26Å; L1526-L1565 WeakPolarHBondContact O-CA 3.4Å; L1526-T1566 PolarHBondContact O-N 3.44Å |
| 1527 | I | 94.9 | Very high | 82.1 | Confident | 39 Ų | 39 | 31.6 Ų | 31.6 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.8 | 175.3 | -55.8 | 173 | 0 | 0 | 0 | 108.8 | L1497 D1498 M1499 T1525 D1529 T1566 | L1497-I1527 PolarHBondContact O-N 3.3Å; D1498-I1527 HydrophobicContact CB-CB 4.17Å; D1498-I1527 HydrophobicContact CB-CD1 4.31Å; M1499-I1527 CarbonylContact C-O 3.55Å; M1499-I1527 PolarHBondContact N-O 3.08Å; T1525-I1527 HydrophobicContact CG2-CG1 4.33Å; I1527-D1529 VanDerWaalsContact CG2-OD1 3.25Å; I1527-D1529 WeakPolarHBondContact CG2-OD1 3.4Å; I1527-T1566 HydrophobicContact CG2-CG2 4.2Å |
| 1528 | I | 91.9 | Very high | 80.5 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -136.7 | 31.4 | -178 | 53 | 165.3 | 0 | 0 | 0 | 111.6 | M1499 L1504 L1526 N1531 I1551 L1565 T1566 I1567 | M1499-I1528 HydrophobicContact CB-CG2 4.46Å; L1504-I1528 HydrophobicContact CD1-CG2 4.06Å; L1526-I1528 HydrophobicContact CD1-CG2 4.02Å; L1526-I1528 HydrophobicContact CD2-CD1 4.4Å; L1526-I1528 HydrophobicContact CD2-CG2 4.27Å; L1526-I1528 HydrophobicContact CG-CG2 4Å; I1528-N1531 PolarHBondContact O-ND2 2.93Å; I1528-I1551 HydrophobicContact CD1-CD1 3.78Å; I1528-I1551 HydrophobicContact CD1-CG2 3.9Å; I1528-L1565 HydrophobicContact CD1-CD1 4.46Å; I1528-L1565 HydrophobicContact CG1-CD1 4.41Å; I1528-T1566 WeakPolarHBondContact CG1-O 3.49Å; I1528-T1566 PolarHBondContact N-O 3.22Å; I1528-I1567 HydrophobicContact CD1-CB 4.42Å; I1528-I1567 HydrophobicContact CD1-CD1 3.86Å; I1528-I1567 HydrophobicContact CD1-CG1 3.93Å; I1528-I1567 HydrophobicContact CG1-CB 4.27Å; I1528-I1567 HydrophobicContact CG1-CG1 4.14Å | ||
| 1529 | D | 87.7 | Confident | 78.8 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | trans | -66.7 | 159.3 | 179 | 64.4 | -37.9 | 0 | 0 | 0 | 113.4 | R1421 G1500 H1501 I1527 N1531 T1566 I1606 | R1421-D1529 IonicContact CZ-OD2 3.83Å; R1421-D1529 IonicContact NE-OD1 2.67Å; R1421-D1529 IonicContact NE-OD2 3.61Å; R1421-D1529 IonicContact NH2-OD2 2.72Å; R1421-D1529 PolarHBondContact NH2-OD2 2.97Å; G1500-D1529 VanDerWaalsContact CA-O 3.24Å; G1500-D1529 WeakPolarHBondContact CA-O 3.49Å; G1500-D1529 VanDerWaalsContact CA-OD1 3.25Å; G1500-D1529 WeakPolarHBondContact CA-OD1 3.27Å; H1501-D1529 PolarHBondContact N-O 2.86Å; I1527-D1529 VanDerWaalsContact CG2-OD1 3.25Å; I1527-D1529 WeakPolarHBondContact CG2-OD1 3.4Å; D1529-N1531 VanDerWaalsContact C-N 3.26Å; D1529-N1531 PolarHBondContact O-N 3.4Å; D1529-N1531 PolarHBondContact O-ND2 3.17Å; D1529-T1566 HydrophobicContact CB-CG2 4.16Å; D1529-I1606 HydrophobicContact CB-CG1 3.97Å | ||
| 1530 | H | 82.5 | Confident | 77.2 | Confident | 41 Ų | 41 | 32 Ų | 32 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 52.2 | 41.8 | 177.4 | -59.4 | -67.7 | 0 | 0 | 0 | 114.2 | H1501 P1532 D1568 | H1501-H1530 WeakPolarHBondContact CE1-CB 3.37Å; H1501-H1530 AromaticContact CE1-CD2 3.54Å; H1501-H1530 AromaticContact CE1-CG 3.41Å; H1501-H1530 VanDerWaalsContact CE1-CG 3.41Å; H1501-H1530 WeakPolarHBondContact ND1-CB 3.48Å; H1501-H1530 AromaticContact NE2-CD2 3.2Å; H1501-H1530 PolarHBondContact NE2-CD2 2.85Å; H1501-H1530 AromaticContact NE2-CG 3.53Å; H1530-P1532 VanDerWaalsContact O-CD 3.25Å; H1530-P1532 WeakPolarHBondContact O-CD 3.43Å; H1530-D1568 VanDerWaalsContact CA-OD2 3.25Å; H1530-D1568 WeakPolarHBondContact CA-OD2 3.21Å; H1530-D1568 PolarHBondContact N-OD1 3.41Å; H1530-D1568 PolarHBondContact N-OD2 2.76Å |
| 1531 | N | 83.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -110.2 | 80.5 | 170.7 | -74.2 | -69.8 | 0 | 0 | 0 | 107.9 | M1499 C1502 Q1503 L1504 I1528 D1529 M1533 L1534 D1568 | M1499-N1531 PolarHBondContact O-ND2 2.9Å; M1499-N1531 VanDerWaalsContact O-ND2 3.17Å; C1502-N1531 PolarHBondContact N-OD1 3.45Å; C1502-N1531 VanDerWaalsContact N-OD1 3.13Å; Q1503-N1531 PolarHBondContact N-OD1 3.32Å; L1504-N1531 HydrophobicContact CB-CB 4.21Å; L1504-N1531 PolarHBondContact N-OD1 2.99Å; I1528-N1531 PolarHBondContact O-ND2 2.93Å; D1529-N1531 VanDerWaalsContact C-N 3.26Å; D1529-N1531 PolarHBondContact O-N 3.4Å; D1529-N1531 PolarHBondContact O-ND2 3.17Å; N1531-M1533 PolarHBondContact O-N 2.91Å; N1531-L1534 HydrophobicContact CB-CD1 3.81Å; N1531-L1534 HydrophobicContact CB-CG 4.03Å; N1531-L1534 WeakPolarHBondContact O-CB 3.46Å; N1531-L1534 PolarHBondContact O-N 3.43Å; N1531-D1568 PolarHBondContact N-OD2 2.89Å; N1531-D1568 VanDerWaalsContact N-OD2 3.1Å | ||
| 1532 | P | 69.9 | Low | 74 | Confident | 34 Ų | 34 | 42 Ų | 42 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30 | -167.3 | 21.6 | -33.3 | 0 | 0 | 0 | 113.3 | H1530 L1534 R1535 | H1530-P1532 VanDerWaalsContact O-CD 3.25Å; H1530-P1532 WeakPolarHBondContact O-CD 3.43Å; P1532-L1534 PolarHBondContact O-N 2.78Å; P1532-R1535 WeakPolarHBondContact O-CB 3.24Å; P1532-R1535 PolarHBondContact O-N 3.2Å |
| 1533 | M | 71.9 | Confident | 72.1 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.9 | -14.9 | 178.2 | -59.8 | -62.1 | 150.3 | 0 | 0 | 113.5 | L1464 F1470 L1504 T1505 N1531 V1537 | L1464-M1533 HydrophobicContact CD2-CE 4.31Å; F1470-M1533 HydrophobicContact CE2-SD 4.47Å; L1504-M1533 WeakPolarHBondContact O-CB 3.45Å; T1505-M1533 HydrophobicContact CG2-CB 4.16Å; T1505-M1533 HydrophobicContact CG2-CG 4.48Å; N1531-M1533 PolarHBondContact O-N 2.91Å; M1533-V1537 WeakPolarHBondContact O-CG2 3.31Å |
| 1534 | L | 74.6 | Confident | 70.2 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -82 | -16.1 | 172 | -63 | -178.5 | 0 | 0 | 0 | 113 | L1504 T1505 N1531 P1532 S1547 I1551 | L1504-L1534 HydrophobicContact CB-CD1 3.88Å; L1504-L1534 HydrophobicContact CB-CD2 4.35Å; L1504-L1534 HydrophobicContact CB-CG 4.17Å; L1504-L1534 HydrophobicContact CD1-CD1 4.4Å; T1505-L1534 VanDerWaalsContact O-CD2 3.29Å; T1505-L1534 WeakPolarHBondContact O-CD2 3.42Å; N1531-L1534 HydrophobicContact CB-CD1 3.81Å; N1531-L1534 HydrophobicContact CB-CG 4.03Å; N1531-L1534 WeakPolarHBondContact O-CB 3.46Å; N1531-L1534 PolarHBondContact O-N 3.43Å; P1532-L1534 PolarHBondContact O-N 2.78Å; L1534-S1547 PolarHBondContact O-OG 3.45Å; L1534-I1551 HydrophobicContact CD1-CD1 3.95Å |
| 1535 | R | 66.7 | Low | 68.4 | Low | 24 Ų | 24 | 45.8 Ų | 45.8 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.7 | -39 | -178.1 | -60.3 | -178.2 | -176.1 | -167 | -9 | 112 | P1532 D1568 N1608 | P1532-R1535 WeakPolarHBondContact O-CB 3.24Å; P1532-R1535 PolarHBondContact O-N 3.2Å; R1535-D1568 HydrophobicContact CG-CB 4.13Å; R1535-D1568 IonicContact CZ-OD1 3.44Å; R1535-D1568 IonicContact CZ-OD2 3.19Å; R1535-D1568 VanDerWaalsContact NE-CB 3.29Å; R1535-D1568 VanDerWaalsContact NE-CG 3.32Å; R1535-D1568 IonicContact NE-OD1 3.66Å; R1535-D1568 IonicContact NE-OD2 3.64Å; R1535-D1568 PolarHBondContact NE-OD2 2.88Å; R1535-D1568 VanDerWaalsContact NE-OD2 3.12Å; R1535-D1568 IonicContact NH2-OD1 2.82Å; R1535-D1568 PolarHBondContact NH2-OD1 3.15Å; R1535-D1568 IonicContact NH2-OD2 3.97Å; R1535-D1568 PolarHBondContact NH2-OD2 3.14Å; R1535-N1608 PolarHBondContact NH2-OD1 3.37Å |
| 1536 | N | 58.1 | Low | 67.1 | Low | 81 Ų | 81 | 45 Ų | 45 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -120.3 | -0.1 | -158.6 | -68.7 | 17.7 | 0 | 0 | 0 | 116.8 | I1538 E1571 | N1536-I1538 PolarHBondContact O-N 2.72Å; N1536-E1571 VanDerWaalsContact CG-OE2 3.3Å; N1536-E1571 PolarHBondContact ND2-OE2 3.13Å; N1536-E1571 WeakPolarHBondContact OD1-CG 3.41Å; N1536-E1571 PolarHBondContact OD1-OE2 2.77Å; N1536-E1571 VanDerWaalsContact OD1-OE2 3.04Å |
| 1537 | V | 52.8 | Low | 65.9 | Low | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | trans | -90 | 115 | -169.8 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | Y1506 M1533 V1539 S1547 | Y1506-V1537 HydrophobicContact CD1-CG1 3.83Å; Y1506-V1537 HydrophobicContact CG-CG1 4.14Å; M1533-V1537 WeakPolarHBondContact O-CG2 3.31Å; V1537-V1539 HydrophobicContact CG1-CG2 4.32Å; V1537-S1547 PolarHBondContact O-N 3.42Å | ||
| 1538 | I | 53.8 | Low | 64.9 | Low | 106 Ų | 106 | 43.5 Ų | 43.5 | 54% | 0.544 | 24% | 0.243 | S | C | . | . | trans | -86.2 | 108.9 | 162.4 | -58.1 | 172.7 | 0 | 0 | 0 | 107.4 | N1536 S1540 | N1536-I1538 PolarHBondContact O-N 2.72Å; I1538-S1540 VanDerWaalsContact C-N 3.32Å; I1538-S1540 PolarHBondContact O-N 3.21Å | ||
| 1539 | V | 50.3 | Low | 64.4 | Low | 34 Ų | 34 | 43.3 Ų | 43.3 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | trans | -68.4 | -24.8 | -166.9 | -179.5 | 0 | 0 | 0 | 0 | 113.8 | Y1506 V1537 | Y1506-V1539 HydrophobicContact CD2-CB 4.38Å; Y1506-V1539 HydrophobicContact CD2-CG1 3.6Å; Y1506-V1539 HydrophobicContact CD2-CG2 3.93Å; Y1506-V1539 HydrophobicContact CE2-CG1 3.81Å; Y1506-V1539 HydrophobicContact CG-CG1 4.37Å; Y1506-V1539 HydrophobicContact CG-CG2 3.98Å; V1537-V1539 HydrophobicContact CG1-CG2 4.32Å | ||
| 1540 | S | 49.3 | Very low | 64.1 | Low | 51 Ų | 51 | 46 Ų | 46 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | trans | -171 | 158.1 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | I1538 N1542 C1543 | I1538-S1540 VanDerWaalsContact C-N 3.32Å; I1538-S1540 PolarHBondContact O-N 3.21Å; S1540-N1542 PolarHBondContact O-N 3.47Å; S1540-N1542 VanDerWaalsContact O-N 3.15Å; S1540-N1542 PolarHBondContact OG-N 3.04Å; S1540-C1543 WeakPolarHBondContact O-CB 3.21Å; S1540-C1543 PolarHBondContact O-N 3.44Å; S1540-C1543 WeakPolarHBondContact OG-CB 3.5Å; S1540-C1543 PolarHBondContact OG-N 3.48Å; S1540-C1543 VanDerWaalsContact OG-N 3.07Å | ||
| 1541 | T | 50.5 | Low | 64.3 | Low | 146 Ų | 146 | 44 Ų | 44 | 90% | 0.896 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.9 | 170.4 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | C1543 | T1541-C1543 VanDerWaalsContact C-N 3.34Š|
| 1542 | N | 49.8 | Very low | 64.5 | Low | 151 Ų | 151 | 44.7 Ų | 44.7 | 81% | 0.807 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.7 | 175.4 | -69.1 | -9.2 | 0 | 0 | 0 | 113.5 | S1540 | S1540-N1542 PolarHBondContact O-N 3.47Å; S1540-N1542 VanDerWaalsContact O-N 3.15Å; S1540-N1542 PolarHBondContact OG-N 3.04Å |
| 1543 | C | 48.6 | Very low | 65.4 | Low | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | trans | -111.2 | 110.1 | -178.4 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | S1540 T1541 F1545 R1550 | S1540-C1543 WeakPolarHBondContact O-CB 3.21Å; S1540-C1543 PolarHBondContact O-N 3.44Å; S1540-C1543 WeakPolarHBondContact OG-CB 3.5Å; S1540-C1543 PolarHBondContact OG-N 3.48Å; S1540-C1543 VanDerWaalsContact OG-N 3.07Å; T1541-C1543 VanDerWaalsContact C-N 3.34Å; C1543-F1545 VanDerWaalsContact C-N 3.25Å; C1543-F1545 PolarHBondContact O-N 2.85Å; C1543-F1545 PolarHBondContact SG-O 3.33Å; C1543-F1545 VanDerWaalsContact SG-O 3.37Å; C1543-R1550 PolarHBondContact SG-NE 3.09Å; C1543-R1550 PolarHBondContact SG-NH2 2.78Å | ||
| 1544 | P | 53.4 | Low | 66.1 | Low | 93 Ų | 93 | 44 Ų | 44 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | trans | -70.7 | -15.2 | -170.5 | 25.1 | -33 | 0 | 0 | 0 | 114.5 | ||||
| 1545 | F | 56.4 | Low | 66.8 | Low | 54 Ų | 54 | 43.8 Ų | 43.8 | 24% | 0.237 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -130.4 | 141.6 | -170.5 | -56.8 | -57.5 | 0 | 0 | 0 | 114.1 | C1543 I1549 A1579 A1582 | C1543-F1545 VanDerWaalsContact C-N 3.25Å; C1543-F1545 PolarHBondContact O-N 2.85Å; C1543-F1545 PolarHBondContact SG-O 3.33Å; C1543-F1545 VanDerWaalsContact SG-O 3.37Å; F1545-I1549 HydrophobicContact CB-CB 4.18Å; F1545-I1549 HydrophobicContact CB-CD1 4.21Å; F1545-I1549 HydrophobicContact CB-CG2 4.16Å; F1545-I1549 HydrophobicContact CD1-CD1 4.22Å; F1545-I1549 HydrophobicContact CG-CG2 4.39Å; F1545-A1579 HydrophobicContact CD1-CB 4.37Å; F1545-A1582 HydrophobicContact CD1-CB 3.95Å; F1545-A1582 HydrophobicContact CE1-CB 3.56Å; F1545-A1582 HydrophobicContact CE2-CB 4.28Å; F1545-A1582 HydrophobicContact CG-CB 4.48Å; F1545-A1582 HydrophobicContact CZ-CB 3.75Å |
| 1546 | P | 67.5 | Low | 67.9 | Low | 13 Ų | 13 | 43.2 Ų | 43.2 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | trans | -57.4 | 162 | 172 | -26.9 | 34.2 | 0 | 0 | 0 | 115.4 | W1548 I1549 R1550 | P1546-W1548 PolarHBondContact O-N 2.94Å; P1546-I1549 PolarHBondContact O-N 3.12Å; P1546-R1550 PolarHBondContact O-N 3.4Å | ||
| 1547 | S | 69.5 | Low | 69.2 | Low | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.3 | -43.9 | -178.7 | 40.7 | 0 | 0 | 0 | 0 | 114.7 | L1509 L1534 V1537 I1549 R1550 I1551 | L1509-S1547 VanDerWaalsContact CD2-O 3.31Å; L1509-S1547 WeakPolarHBondContact CD2-O 2.99Å; L1534-S1547 PolarHBondContact O-OG 3.45Å; V1537-S1547 PolarHBondContact O-N 3.42Å; S1547-I1549 PolarHBondContact O-N 3.22Å; S1547-R1550 WeakPolarHBondContact O-CB 3.35Å; S1547-R1550 PolarHBondContact O-N 2.94Å; S1547-R1550 VanDerWaalsContact O-N 3.17Å; S1547-I1551 PolarHBondContact O-N 3.22Å |
| 1548 | W | 75.5 | Confident | 70.7 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -35.5 | -177.7 | 66.5 | -97.2 | 0 | 0 | 0 | 113 | P1546 R1550 I1551 L1552 P1570 I1572 A1583 F1633 | P1546-W1548 PolarHBondContact O-N 2.94Å; W1548-R1550 VanDerWaalsContact C-N 3.25Å; W1548-R1550 PolarHBondContact O-N 3.35Å; W1548-I1551 WeakPolarHBondContact O-CB 3.34Å; W1548-I1551 PolarHBondContact O-N 3.46Å; W1548-I1551 VanDerWaalsContact O-N 3.1Å; W1548-L1552 HydrophobicContact CE3-CD1 3.75Å; W1548-L1552 HydrophobicContact CZ3-CD1 3.63Å; W1548-L1552 PolarHBondContact O-N 3.16Å; W1548-L1552 VanDerWaalsContact O-N 3.15Å; W1548-P1570 HydrophobicContact CB-CB 4.23Å; W1548-P1570 HydrophobicContact CD2-CB 3.18Å; W1548-P1570 HydrophobicContact CD2-CG 3.78Å; W1548-P1570 HydrophobicContact CE3-CB 3.6Å; W1548-P1570 HydrophobicContact CE3-CG 3.63Å; W1548-P1570 HydrophobicContact CG-CB 3.45Å; W1548-P1570 VanDerWaalsContact CG-CB 3.45Å; W1548-P1570 HydrophobicContact CG-CG 4.45Å; W1548-P1570 HydrophobicContact CH2-CB 4.03Å; W1548-P1570 HydrophobicContact CH2-CG 3.76Å; W1548-P1570 HydrophobicContact CZ2-CB 3.72Å; W1548-P1570 HydrophobicContact CZ2-CG 3.97Å; W1548-P1570 HydrophobicContact CZ3-CB 3.97Å; W1548-P1570 HydrophobicContact CZ3-CG 3.59Å; W1548-I1572 HydrophobicContact CH2-CD1 4.33Å; W1548-I1572 HydrophobicContact CH2-CG1 4.13Å; W1548-I1572 HydrophobicContact CZ2-CD1 4.48Å; W1548-I1572 HydrophobicContact CZ2-CG1 3.79Å; W1548-A1583 HydrophobicContact CE3-CB 4.42Å; W1548-A1583 HydrophobicContact CH2-CB 3.15Å; W1548-A1583 HydrophobicContact CZ2-CB 4.27Å; W1548-A1583 HydrophobicContact CZ3-CB 3.25Å; W1548-F1633 HydrophobicContact CZ3-CE1 4.49Å; W1548-F1633 HydrophobicContact CZ3-CZ 4.18Å |
| 1549 | I | 79.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.1 | -58.4 | -168.3 | 0 | 0 | 0 | 109.6 | F1545 P1546 S1547 I1551 L1552 Q1553 A1579 A1582 A1583 | F1545-I1549 HydrophobicContact CB-CB 4.18Å; F1545-I1549 HydrophobicContact CB-CD1 4.21Å; F1545-I1549 HydrophobicContact CB-CG2 4.16Å; F1545-I1549 HydrophobicContact CD1-CD1 4.22Å; F1545-I1549 HydrophobicContact CG-CG2 4.39Å; P1546-I1549 PolarHBondContact O-N 3.12Å; S1547-I1549 PolarHBondContact O-N 3.22Å; I1549-I1551 VanDerWaalsContact C-N 3.27Å; I1549-I1551 PolarHBondContact O-N 3.46Å; I1549-L1552 WeakPolarHBondContact O-CB 3.49Å; I1549-L1552 PolarHBondContact O-N 3.01Å; I1549-Q1553 HydrophobicContact CG2-CG 4.31Å; I1549-Q1553 WeakPolarHBondContact O-CG 3.14Å; I1549-Q1553 PolarHBondContact O-N 3.4Å; I1549-A1579 HydrophobicContact CD1-CB 3.72Å; I1549-A1579 WeakPolarHBondContact CD1-O 3.41Å; I1549-A1582 HydrophobicContact CG2-CB 4.2Å; I1549-A1583 HydrophobicContact CD1-CB 4.24Å; I1549-A1583 HydrophobicContact CG1-CB 4.2Å |
| 1550 | R | 81.9 | Confident | 74.2 | Confident | 65 Ų | 65 | 41.3 Ų | 41.3 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -28.4 | 177.2 | -70.4 | 179.2 | 161.4 | -157.9 | -6.3 | 112.9 | L1509 C1543 P1546 S1547 W1548 A1554 | L1509-R1550 HydrophobicContact CD1-CB 4.03Å; L1509-R1550 HydrophobicContact CD2-CB 4.08Å; C1543-R1550 PolarHBondContact SG-NE 3.09Å; C1543-R1550 PolarHBondContact SG-NH2 2.78Å; P1546-R1550 PolarHBondContact O-N 3.4Å; S1547-R1550 WeakPolarHBondContact O-CB 3.35Å; S1547-R1550 PolarHBondContact O-N 2.94Å; S1547-R1550 VanDerWaalsContact O-N 3.17Å; W1548-R1550 VanDerWaalsContact C-N 3.25Å; W1548-R1550 PolarHBondContact O-N 3.35Å; R1550-A1554 VanDerWaalsContact O-CB 3.31Å; R1550-A1554 WeakPolarHBondContact O-CB 3.32Å; R1550-A1554 PolarHBondContact O-N 2.91Å |
| 1551 | I | 86.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.4 | -47.2 | 171.9 | -60.5 | 176.1 | 0 | 0 | 0 | 109.8 | L1509 L1512 I1528 L1534 S1547 W1548 I1549 Q1553 A1554 I1555 I1567 | L1509-I1551 HydrophobicContact CD2-CD1 4.07Å; L1509-I1551 HydrophobicContact CD2-CG1 3.31Å; L1512-I1551 HydrophobicContact CD1-CG1 4.27Å; L1512-I1551 HydrophobicContact CD1-CG2 4.44Å; I1528-I1551 HydrophobicContact CD1-CD1 3.78Å; I1528-I1551 HydrophobicContact CD1-CG2 3.9Å; L1534-I1551 HydrophobicContact CD1-CD1 3.95Å; S1547-I1551 PolarHBondContact O-N 3.22Å; W1548-I1551 WeakPolarHBondContact O-CB 3.34Å; W1548-I1551 PolarHBondContact O-N 3.46Å; W1548-I1551 VanDerWaalsContact O-N 3.1Å; I1549-I1551 VanDerWaalsContact C-N 3.27Å; I1549-I1551 PolarHBondContact O-N 3.46Å; I1551-Q1553 VanDerWaalsContact C-N 3.32Å; I1551-Q1553 PolarHBondContact O-N 2.98Å; I1551-A1554 WeakPolarHBondContact O-CB 3.48Å; I1551-A1554 PolarHBondContact O-N 3.5Å; I1551-I1555 HydrophobicContact CG2-CD1 3.87Å; I1551-I1555 WeakPolarHBondContact O-CG1 3.42Å; I1551-I1555 PolarHBondContact O-N 2.72Å; I1551-I1567 HydrophobicContact CD1-CD1 4.24Å; I1551-I1567 HydrophobicContact CG2-CD1 4.41Å |
| 1552 | L | 87.9 | Confident | 78.1 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.6 | -64 | 175.8 | 0 | 0 | 0 | 111.4 | W1548 I1549 I1555 A1556 L1565 A1583 V1587 | W1548-L1552 HydrophobicContact CE3-CD1 3.75Å; W1548-L1552 HydrophobicContact CZ3-CD1 3.63Å; W1548-L1552 PolarHBondContact O-N 3.16Å; W1548-L1552 VanDerWaalsContact O-N 3.15Å; I1549-L1552 WeakPolarHBondContact O-CB 3.49Å; I1549-L1552 PolarHBondContact O-N 3.01Å; L1552-I1555 PolarHBondContact O-N 3.48Å; L1552-A1556 VanDerWaalsContact O-CB 3.23Å; L1552-A1556 WeakPolarHBondContact O-CB 3.48Å; L1552-A1556 PolarHBondContact O-N 3.23Å; L1552-L1565 HydrophobicContact CD2-CD2 3.78Å; L1552-A1583 HydrophobicContact CD1-CB 4.26Å; L1552-V1587 HydrophobicContact CD1-CG2 4Å; L1552-V1587 HydrophobicContact CD2-CG2 4.07Å |
| 1553 | Q | 87.9 | Confident | 80.1 | Confident | 61 Ų | 61 | 26.8 Ų | 26.8 | 29% | 0.285 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.4 | -41 | 174.7 | -72.4 | 174.1 | -13.8 | 0 | 0 | 112.7 | I1549 I1551 I1555 A1556 Q1557 S1586 | I1549-Q1553 HydrophobicContact CG2-CG 4.31Å; I1549-Q1553 WeakPolarHBondContact O-CG 3.14Å; I1549-Q1553 PolarHBondContact O-N 3.4Å; I1551-Q1553 VanDerWaalsContact C-N 3.32Å; I1551-Q1553 PolarHBondContact O-N 2.98Å; Q1553-I1555 VanDerWaalsContact C-N 3.34Å; Q1553-A1556 PolarHBondContact O-N 2.98Å; Q1553-Q1557 PolarHBondContact O-N 3.27Å; Q1553-S1586 VanDerWaalsContact CG-OG 3.24Å; Q1553-S1586 WeakPolarHBondContact CG-OG 3.25Å |
| 1554 | A | 88 | Confident | 82.3 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K1513 F1516 R1550 I1551 A1556 Q1557 | K1513-A1554 HydrophobicContact CB-CB 4.46Å; K1513-A1554 HydrophobicContact CG-CB 3.69Å; F1516-A1554 WeakPolarHBondContact CB-O 3.23Å; F1516-A1554 HydrophobicContact CD2-CB 4.25Å; R1550-A1554 VanDerWaalsContact O-CB 3.31Å; R1550-A1554 WeakPolarHBondContact O-CB 3.32Å; R1550-A1554 PolarHBondContact O-N 2.91Å; I1551-A1554 WeakPolarHBondContact O-CB 3.48Å; I1551-A1554 PolarHBondContact O-N 3.5Å; A1554-A1556 VanDerWaalsContact C-N 3.32Å; A1554-A1556 PolarHBondContact O-N 3.13Å; A1554-Q1557 WeakPolarHBondContact O-CB 3.42Å; A1554-Q1557 WeakPolarHBondContact O-CG 2.99Å; A1554-Q1557 PolarHBondContact O-N 2.8Å; A1554-Q1557 PolarHBondContact O-OE1 2.88Å |
| 1555 | I | 89.4 | Confident | 84.2 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.2 | -32.3 | 177.9 | -68.9 | 167.8 | 0 | 0 | 0 | 111.6 | F1516 L1526 I1551 L1552 Q1553 Q1557 S1560 V1562 L1565 K1590 | F1516-I1555 HydrophobicContact CD2-CG1 3.9Å; F1516-I1555 HydrophobicContact CE2-CD1 4.49Å; F1516-I1555 HydrophobicContact CE2-CG1 3.75Å; F1516-I1555 HydrophobicContact CZ-CG1 4.37Å; L1526-I1555 HydrophobicContact CD2-CD1 4.14Å; I1551-I1555 HydrophobicContact CG2-CD1 3.87Å; I1551-I1555 WeakPolarHBondContact O-CG1 3.42Å; I1551-I1555 PolarHBondContact O-N 2.72Å; L1552-I1555 PolarHBondContact O-N 3.48Å; Q1553-I1555 VanDerWaalsContact C-N 3.34Å; I1555-Q1557 PolarHBondContact O-N 3.43Å; I1555-S1560 WeakPolarHBondContact O-CB 3.3Å; I1555-S1560 PolarHBondContact O-OG 3.03Å; I1555-V1562 HydrophobicContact CG1-CG2 4.48Å; I1555-V1562 HydrophobicContact CG2-CB 3.85Å; I1555-V1562 HydrophobicContact CG2-CG1 4Å; I1555-V1562 HydrophobicContact CG2-CG2 4.45Å; I1555-L1565 HydrophobicContact CD1-CD1 3.67Å; I1555-L1565 HydrophobicContact CD1-CD2 3.66Å; I1555-L1565 HydrophobicContact CD1-CG 4.19Å; I1555-K1590 HydrophobicContact CG2-CD 4.2Å; I1555-K1590 HydrophobicContact CG2-CG 4.12Å; I1555-K1590 VanDerWaalsContact O-CD 3.23Å; I1555-K1590 WeakPolarHBondContact O-CD 3.3Å; I1555-K1590 WeakPolarHBondContact O-CE 3.2Å; I1555-K1590 PolarHBondContact O-NZ 2.86Å |
| 1556 | A | 88.2 | Confident | 86 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 11% | 0.107 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -8.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1552 Q1553 A1554 S1586 A1589 K1590 | L1552-A1556 VanDerWaalsContact O-CB 3.23Å; L1552-A1556 WeakPolarHBondContact O-CB 3.48Å; L1552-A1556 PolarHBondContact O-N 3.23Å; Q1553-A1556 PolarHBondContact O-N 2.98Å; A1554-A1556 VanDerWaalsContact C-N 3.32Å; A1554-A1556 PolarHBondContact O-N 3.13Å; A1556-S1586 WeakPolarHBondContact CB-O 3.31Å; A1556-A1589 HydrophobicContact CB-CB 4.44Å; A1556-K1590 HydrophobicContact CB-CB 4.33Å |
| 1557 | Q | 87.1 | Confident | 87.1 | Confident | 64 Ų | 64 | 20.3 Ų | 20.3 | 30% | 0.299 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -60.1 | 140.1 | 175.4 | -69.2 | -179.9 | -37.8 | 0 | 0 | 110.9 | K1513 Q1553 A1554 I1555 A1559 S1560 | K1513-Q1557 PolarHBondContact O-OE1 2.74Å; Q1553-Q1557 PolarHBondContact O-N 3.27Å; A1554-Q1557 WeakPolarHBondContact O-CB 3.42Å; A1554-Q1557 WeakPolarHBondContact O-CG 2.99Å; A1554-Q1557 PolarHBondContact O-N 2.8Å; A1554-Q1557 PolarHBondContact O-OE1 2.88Å; I1555-Q1557 PolarHBondContact O-N 3.43Å; Q1557-A1559 PolarHBondContact O-N 3.33Å; Q1557-A1559 VanDerWaalsContact O-N 3.07Å; Q1557-S1560 VanDerWaalsContact O-CB 3.28Å; Q1557-S1560 WeakPolarHBondContact O-CB 3.32Å; Q1557-S1560 PolarHBondContact O-N 3.23Å |
| 1558 | P | 84.1 | Confident | 87.8 | Confident | 85 Ų | 85 | 20.7 Ų | 20.7 | 55% | 0.552 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.3 | -177.2 | -26.9 | 34.4 | 0 | 0 | 0 | 114.3 | S1560 | P1558-S1560 VanDerWaalsContact C-N 3.35Š|
| 1559 | A | 85.8 | Confident | 88 | Confident | 34 Ų | 34 | 20.8 Ų | 20.8 | 28% | 0.281 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -14.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1516 P1519 Q1557 | F1516-A1559 CarbonylContact O-C 3.4Å; F1516-A1559 WeakPolarHBondContact O-CB 3.45Å; P1519-A1559 HydrophobicContact CG-CB 4.49Å; Q1557-A1559 PolarHBondContact O-N 3.33Å; Q1557-A1559 VanDerWaalsContact O-N 3.07Å |
| 1560 | S | 90 | Very high | 87.5 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | trans | -72.7 | 128.5 | -176.6 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | F1516 I1555 Q1557 P1558 V1562 K1590 T1598 | F1516-S1560 PolarHBondContact O-N 2.96Å; I1555-S1560 WeakPolarHBondContact O-CB 3.3Å; I1555-S1560 PolarHBondContact O-OG 3.03Å; Q1557-S1560 VanDerWaalsContact O-CB 3.28Å; Q1557-S1560 WeakPolarHBondContact O-CB 3.32Å; Q1557-S1560 PolarHBondContact O-N 3.23Å; P1558-S1560 VanDerWaalsContact C-N 3.35Å; S1560-V1562 PolarHBondContact OG-N 3.09Å; S1560-K1590 PolarHBondContact O-NZ 2.86Å; S1560-K1590 PolarHBondContact OG-NZ 3.47Å; S1560-T1598 PolarHBondContact O-OG1 2.84Å | ||
| 1561 | A | 90.6 | Very high | 86.8 | Confident | 19 Ų | 19 | 21.3 Ų | 21.3 | 16% | 0.157 | 12% | 0.124 | C | C | . | . | trans | -88.2 | 1.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1521 I1523 V1563 T1598 | I1521-A1561 VanDerWaalsContact O-CB 3.31Å; I1521-A1561 WeakPolarHBondContact O-CB 3.22Å; I1523-A1561 CarbonylContact O-C 3.49Å; A1561-V1563 PolarHBondContact O-N 2.75Å; A1561-T1598 WeakPolarHBondContact CA-OG1 3.3Å | ||
| 1562 | V | 92.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -66.7 | 122.4 | -172 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | F1516 I1523 I1555 S1560 S1564 K1590 | F1516-V1562 HydrophobicContact CD1-CG2 3.88Å; F1516-V1562 HydrophobicContact CE1-CG2 3.28Å; F1516-V1562 HydrophobicContact CZ-CG2 3.7Å; I1523-V1562 HydrophobicContact CG2-CG2 4.27Å; I1523-V1562 WeakPolarHBondContact O-CA 3.34Å; I1523-V1562 WeakPolarHBondContact O-CG2 3.35Å; I1523-V1562 PolarHBondContact O-N 3.37Å; I1523-V1562 VanDerWaalsContact O-N 3.14Å; I1555-V1562 HydrophobicContact CG1-CG2 4.48Å; I1555-V1562 HydrophobicContact CG2-CB 3.85Å; I1555-V1562 HydrophobicContact CG2-CG1 4Å; I1555-V1562 HydrophobicContact CG2-CG2 4.45Å; S1560-V1562 PolarHBondContact OG-N 3.09Å; V1562-S1564 WeakPolarHBondContact CG1-O 3.36Å; V1562-K1590 WeakPolarHBondContact O-CE 3.35Å | ||
| 1563 | V | 92.1 | Very high | 84.9 | Confident | 23 Ų | 23 | 24.2 Ų | 24.2 | 14% | 0.139 | 14% | 0.143 | C | C | . | . | trans | -114.2 | -20.2 | 174.8 | -60 | 0 | 0 | 0 | 0 | 112.7 | T1524 A1561 Q1601 E1602 | T1524-V1563 WeakPolarHBondContact O-CG2 3.48Å; T1524-V1563 PolarHBondContact O-N 3.33Å; A1561-V1563 PolarHBondContact O-N 2.75Å; V1563-Q1601 HydrophobicContact CB-CB 4.22Å; V1563-Q1601 HydrophobicContact CB-CG 4.1Å; V1563-Q1601 WeakPolarHBondContact O-CA 3.37Å; V1563-Q1601 PolarHBondContact O-N 3.21Å; V1563-E1602 PolarHBondContact O-N 3.44Å | ||
| 1564 | S | 94.2 | Very high | 84 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.3 | 174.1 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | T1524 T1525 L1526 V1562 E1602 | T1524-S1564 PolarHBondContact O-N 2.96Å; T1525-S1564 WeakPolarHBondContact CA-O 3.35Å; L1526-S1564 PolarHBondContact N-O 2.94Å; V1562-S1564 WeakPolarHBondContact CG1-O 3.36Å; S1564-E1602 CarbonylContact C-O 3.48Å; S1564-E1602 VanDerWaalsContact CA-O 3.25Å; S1564-E1602 WeakPolarHBondContact CA-O 3.37Å; S1564-E1602 PolarHBondContact OG-OE2 2.91Å |
| 1565 | L | 93.8 | Very high | 83 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.9 | 177.4 | 175.9 | 63.6 | 0 | 0 | 0 | 110.2 | L1526 I1528 L1552 I1555 I1567 L1600 E1602 L1603 I1604 | L1526-L1565 HydrophobicContact CB-CD1 4.18Å; L1526-L1565 HydrophobicContact CD2-CD1 3.95Å; L1526-L1565 HydrophobicContact CG-CD1 4.26Å; L1526-L1565 WeakPolarHBondContact O-CA 3.4Å; I1528-L1565 HydrophobicContact CD1-CD1 4.46Å; I1528-L1565 HydrophobicContact CG1-CD1 4.41Å; L1552-L1565 HydrophobicContact CD2-CD2 3.78Å; I1555-L1565 HydrophobicContact CD1-CD1 3.67Å; I1555-L1565 HydrophobicContact CD1-CD2 3.66Å; I1555-L1565 HydrophobicContact CD1-CG 4.19Å; L1565-I1567 HydrophobicContact CD2-CG2 4.37Å; L1565-I1567 HydrophobicContact CG-CB 4.41Å; L1565-I1567 HydrophobicContact CG-CG2 4.41Å; L1565-L1600 HydrophobicContact CB-CD1 4.26Å; L1565-E1602 PolarHBondContact N-O 2.84Å; L1565-L1603 HydrophobicContact CB-CD1 4.08Å; L1565-L1603 HydrophobicContact CD2-CD1 3.94Å; L1565-L1603 HydrophobicContact CG-CD1 4.17Å; L1565-I1604 PolarHBondContact O-N 3.34Å |
| 1566 | T | 93.3 | Very high | 82.1 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.6 | 167.1 | -53.8 | 0 | 0 | 0 | 0 | 110.1 | L1526 I1527 I1528 D1529 I1604 I1606 | L1526-T1566 PolarHBondContact O-N 3.44Å; I1527-T1566 HydrophobicContact CG2-CG2 4.2Å; I1528-T1566 WeakPolarHBondContact CG1-O 3.49Å; I1528-T1566 PolarHBondContact N-O 3.22Å; D1529-T1566 HydrophobicContact CB-CG2 4.16Å; T1566-I1604 WeakPolarHBondContact CA-O 3.4Å; T1566-I1604 HydrophobicContact CG2-CB 4.01Å; T1566-I1604 HydrophobicContact CG2-CG2 3.77Å; T1566-I1604 WeakPolarHBondContact OG1-CD1 3.47Å; T1566-I1606 HydrophobicContact CG2-CD1 4.4Å; T1566-I1606 HydrophobicContact CG2-CG1 4.07Å |
| 1567 | I | 90.2 | Very high | 81.5 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154.8 | -178.7 | -165.6 | 171.9 | 0 | 0 | 0 | 110.4 | I1528 I1551 L1565 I1604 I1605 I1606 | I1528-I1567 HydrophobicContact CD1-CB 4.42Å; I1528-I1567 HydrophobicContact CD1-CD1 3.86Å; I1528-I1567 HydrophobicContact CD1-CG1 3.93Å; I1528-I1567 HydrophobicContact CG1-CB 4.27Å; I1528-I1567 HydrophobicContact CG1-CG1 4.14Å; I1551-I1567 HydrophobicContact CD1-CD1 4.24Å; I1551-I1567 HydrophobicContact CG2-CD1 4.41Å; L1565-I1567 HydrophobicContact CD2-CG2 4.37Å; L1565-I1567 HydrophobicContact CG-CB 4.41Å; L1565-I1567 HydrophobicContact CG-CG2 4.41Å; I1567-I1604 PolarHBondContact N-O 3.21Å; I1567-I1605 CarbonylContact O-C 3.59Å; I1567-I1605 WeakPolarHBondContact O-CA 3.49Å; I1567-I1606 PolarHBondContact O-N 3.33Å |
| 1568 | D | 83.9 | Confident | 80.9 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 150 | 168.8 | -70.5 | -38.2 | 0 | 0 | 0 | 112.2 | H1530 N1531 R1535 P1570 I1606 | H1530-D1568 VanDerWaalsContact CA-OD2 3.25Å; H1530-D1568 WeakPolarHBondContact CA-OD2 3.21Å; H1530-D1568 PolarHBondContact N-OD1 3.41Å; H1530-D1568 PolarHBondContact N-OD2 2.76Å; N1531-D1568 PolarHBondContact N-OD2 2.89Å; N1531-D1568 VanDerWaalsContact N-OD2 3.1Å; R1535-D1568 HydrophobicContact CG-CB 4.13Å; R1535-D1568 IonicContact CZ-OD1 3.44Å; R1535-D1568 IonicContact CZ-OD2 3.19Å; R1535-D1568 VanDerWaalsContact NE-CB 3.29Å; R1535-D1568 VanDerWaalsContact NE-CG 3.32Å; R1535-D1568 IonicContact NE-OD1 3.66Å; R1535-D1568 IonicContact NE-OD2 3.64Å; R1535-D1568 PolarHBondContact NE-OD2 2.88Å; R1535-D1568 VanDerWaalsContact NE-OD2 3.12Å; R1535-D1568 IonicContact NH2-OD1 2.82Å; R1535-D1568 PolarHBondContact NH2-OD1 3.15Å; R1535-D1568 IonicContact NH2-OD2 3.97Å; R1535-D1568 PolarHBondContact NH2-OD2 3.14Å; D1568-P1570 WeakPolarHBondContact O-CD 3.47Å; D1568-I1606 CarbonylContact C-O 3.5Å; D1568-I1606 WeakPolarHBondContact CA-O 3.44Å |
| 1569 | L | 80.1 | Confident | 80.4 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 119.4 | 170.9 | -177.1 | 75.9 | 0 | 0 | 0 | 108.2 | I1605 I1606 H1607 I1612 K1630 L1634 | L1569-I1605 HydrophobicContact CB-CG2 3.7Å; L1569-I1605 HydrophobicContact CD1-CG2 3.53Å; L1569-I1605 HydrophobicContact CG-CG2 4.23Å; L1569-I1606 PolarHBondContact N-O 2.83Å; L1569-H1607 HydrophobicContact CB-CB 3.67Å; L1569-H1607 HydrophobicContact CD2-CB 3.58Å; L1569-H1607 HydrophobicContact CG-CB 4.17Å; L1569-I1612 HydrophobicContact CD2-CD1 3.36Å; L1569-K1630 HydrophobicContact CD2-CB 4.28Å; L1569-K1630 HydrophobicContact CD2-CD 4.03Å; L1569-K1630 HydrophobicContact CD2-CG 4.28Å; L1569-L1634 HydrophobicContact CD1-CD1 4.24Å; L1569-L1634 HydrophobicContact CD1-CD2 4.14Å; L1569-L1634 HydrophobicContact CD1-CG 4.16Å |
| 1570 | P | 69.5 | Low | 80 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 146.2 | -179.6 | 26 | -33.7 | 0 | 0 | 0 | 111.9 | W1548 D1568 I1572 F1633 | W1548-P1570 HydrophobicContact CB-CB 4.23Å; W1548-P1570 HydrophobicContact CD2-CB 3.18Å; W1548-P1570 HydrophobicContact CD2-CG 3.78Å; W1548-P1570 HydrophobicContact CE3-CB 3.6Å; W1548-P1570 HydrophobicContact CE3-CG 3.63Å; W1548-P1570 HydrophobicContact CG-CB 3.45Å; W1548-P1570 VanDerWaalsContact CG-CB 3.45Å; W1548-P1570 HydrophobicContact CG-CG 4.45Å; W1548-P1570 HydrophobicContact CH2-CB 4.03Å; W1548-P1570 HydrophobicContact CH2-CG 3.76Å; W1548-P1570 HydrophobicContact CZ2-CB 3.72Å; W1548-P1570 HydrophobicContact CZ2-CG 3.97Å; W1548-P1570 HydrophobicContact CZ3-CB 3.97Å; W1548-P1570 HydrophobicContact CZ3-CG 3.59Å; D1568-P1570 WeakPolarHBondContact O-CD 3.47Å; P1570-I1572 HydrophobicContact CG-CD1 4.4Å; P1570-I1572 HydrophobicContact CG-CG1 4.39Å; P1570-I1572 PolarHBondContact O-N 2.99Å; P1570-F1633 HydrophobicContact CG-CD1 4.5Å; P1570-F1633 HydrophobicContact CG-CE1 4.27Å |
| 1571 | E | 67.2 | Low | 79.6 | Confident | 71 Ų | 71 | 39.5 Ų | 39.5 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -74.8 | 122.5 | 162.7 | -65.4 | -147.8 | 128.3 | 0 | 0 | 109 | N1536 K1630 | N1536-E1571 VanDerWaalsContact CG-OE2 3.3Å; N1536-E1571 PolarHBondContact ND2-OE2 3.13Å; N1536-E1571 WeakPolarHBondContact OD1-CG 3.41Å; N1536-E1571 PolarHBondContact OD1-OE2 2.77Å; N1536-E1571 VanDerWaalsContact OD1-OE2 3.04Å; E1571-K1630 IonicContact OE1-NZ 2.67Å; E1571-K1630 PolarHBondContact OE1-NZ 3.37Å |
| 1572 | I | 68.4 | Low | 79.2 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | trans | -114.7 | 111 | 177.5 | -56.9 | 163.6 | 0 | 0 | 0 | 105.3 | W1548 P1570 D1574 L1580 M1629 F1633 | W1548-I1572 HydrophobicContact CH2-CD1 4.33Å; W1548-I1572 HydrophobicContact CH2-CG1 4.13Å; W1548-I1572 HydrophobicContact CZ2-CD1 4.48Å; W1548-I1572 HydrophobicContact CZ2-CG1 3.79Å; P1570-I1572 HydrophobicContact CG-CD1 4.4Å; P1570-I1572 HydrophobicContact CG-CG1 4.39Å; P1570-I1572 PolarHBondContact O-N 2.99Å; I1572-D1574 PolarHBondContact O-N 2.78Å; I1572-L1580 HydrophobicContact CD1-CD1 3.87Å; I1572-L1580 HydrophobicContact CG2-CB 4.35Å; I1572-L1580 HydrophobicContact CG2-CD1 4.42Å; I1572-M1629 HydrophobicContact CB-CB 4Å; I1572-M1629 HydrophobicContact CG2-CB 3.56Å; I1572-M1629 HydrophobicContact CG2-CE 4.43Å; I1572-M1629 HydrophobicContact CG2-CG 4.4Å; I1572-F1633 HydrophobicContact CD1-CB 3.54Å; I1572-F1633 HydrophobicContact CD1-CD1 4.05Å; I1572-F1633 HydrophobicContact CD1-CD2 4.45Å; I1572-F1633 HydrophobicContact CD1-CG 3.76Å | ||
| 1573 | P | 65.9 | Low | 78.8 | Confident | 67 Ų | 67 | 39.1 Ų | 39.1 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | trans | -54.8 | 137.9 | 174.4 | -21.2 | 31.2 | 0 | 0 | 0 | 109.9 | D1575 D1576 | P1573-D1575 PolarHBondContact O-N 3.29Å; P1573-D1575 VanDerWaalsContact O-N 3.09Å; P1573-D1576 HydrophobicContact CB-CB 4.17Å; P1573-D1576 HydrophobicContact CG-CB 4.37Å; P1573-D1576 PolarHBondContact O-N 3.09Å | ||
| 1574 | D | 69.2 | Low | 78.5 | Confident | 105 Ų | 105 | 39.8 Ų | 39.8 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.9 | -174.9 | -74.7 | -43.5 | 0 | 0 | 0 | 113.2 | I1572 M1629 | I1572-D1574 PolarHBondContact O-N 2.78Å; D1574-M1629 HydrophobicContact CB-CG 4.48Å; D1574-M1629 PolarHBondContact OD1-N 2.85Å; D1574-M1629 VanDerWaalsContact OD1-N 3.09Å |
| 1575 | D | 68.1 | Low | 78.1 | Confident | 164 Ų | 164 | 42.4 Ų | 42.4 | 88% | 0.877 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -7.2 | -176.7 | -55.4 | -26.7 | 0 | 0 | 0 | 114.3 | P1573 S1577 | P1573-D1575 PolarHBondContact O-N 3.29Å; P1573-D1575 VanDerWaalsContact O-N 3.09Å; D1575-S1577 PolarHBondContact O-N 3.3Å |
| 1576 | D | 70.4 | Confident | 77.9 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | trans | -103.6 | 74.7 | -171.7 | -164.8 | -13 | 0 | 0 | 0 | 112.6 | P1573 D1578 A1579 L1580 | P1573-D1576 HydrophobicContact CB-CB 4.17Å; P1573-D1576 HydrophobicContact CG-CB 4.37Å; P1573-D1576 PolarHBondContact O-N 3.09Å; D1576-D1578 PolarHBondContact O-N 3.09Å; D1576-D1578 PolarHBondContact OD1-N 3.42Å; D1576-A1579 HydrophobicContact CB-CB 4.14Å; D1576-A1579 PolarHBondContact O-N 2.94Å; D1576-A1579 WeakPolarHBondContact OD1-CB 3.39Å; D1576-A1579 PolarHBondContact OD1-N 2.85Å; D1576-A1579 WeakPolarHBondContact OD2-CB 3.39Å; D1576-L1580 PolarHBondContact O-N 3.13Å | ||
| 1577 | S | 74.5 | Confident | 77.7 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 49% | 0.49 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.9 | -28.6 | 177.4 | -175 | 0 | 0 | 0 | 0 | 113.2 | D1575 T1581 | D1575-S1577 PolarHBondContact O-N 3.3Å; S1577-T1581 WeakPolarHBondContact O-CB 3.46Å; S1577-T1581 PolarHBondContact O-N 3.45Å; S1577-T1581 PolarHBondContact O-OG1 3.3Å |
| 1578 | D | 75.2 | Confident | 77.6 | Confident | 119 Ų | 119 | 45.2 Ų | 45.2 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -72.3 | -41.4 | -178.5 | -71 | -18.1 | 0 | 0 | 0 | 110.8 | D1576 T1581 A1582 | D1576-D1578 PolarHBondContact O-N 3.09Å; D1576-D1578 PolarHBondContact OD1-N 3.42Å; D1578-T1581 PolarHBondContact O-N 3.22Å; D1578-A1582 WeakPolarHBondContact O-CB 3.49Å; D1578-A1582 PolarHBondContact O-N 3Å |
| 1579 | A | 72.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1545 I1549 D1576 T1581 A1582 A1583 | F1545-A1579 HydrophobicContact CD1-CB 4.37Å; I1549-A1579 HydrophobicContact CD1-CB 3.72Å; I1549-A1579 WeakPolarHBondContact CD1-O 3.41Å; D1576-A1579 HydrophobicContact CB-CB 4.14Å; D1576-A1579 PolarHBondContact O-N 2.94Å; D1576-A1579 WeakPolarHBondContact OD1-CB 3.39Å; D1576-A1579 PolarHBondContact OD1-N 2.85Å; D1576-A1579 WeakPolarHBondContact OD2-CB 3.39Å; A1579-T1581 VanDerWaalsContact C-N 3.3Å; A1579-T1581 PolarHBondContact O-N 2.85Å; A1579-A1582 PolarHBondContact O-N 3.4Å; A1579-A1583 WeakPolarHBondContact O-CB 3.4Å; A1579-A1583 PolarHBondContact O-N 3.11Å |
| 1580 | L | 78.3 | Confident | 78.3 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 175.3 | -179.4 | 70.8 | 0 | 0 | 0 | 111.4 | I1572 D1576 A1583 F1584 M1629 R1632 F1633 M1636 | I1572-L1580 HydrophobicContact CD1-CD1 3.87Å; I1572-L1580 HydrophobicContact CG2-CB 4.35Å; I1572-L1580 HydrophobicContact CG2-CD1 4.42Å; D1576-L1580 PolarHBondContact O-N 3.13Å; L1580-A1583 PolarHBondContact O-N 3.43Å; L1580-F1584 WeakPolarHBondContact O-CB 3.42Å; L1580-F1584 PolarHBondContact O-N 3.01Å; L1580-M1629 HydrophobicContact CB-CE 3.66Å; L1580-M1629 HydrophobicContact CD2-CE 3.42Å; L1580-M1629 VanDerWaalsContact CD2-CE 3.42Å; L1580-M1629 HydrophobicContact CD2-SD 3.85Å; L1580-M1629 HydrophobicContact CG-CE 4.1Å; L1580-R1632 HydrophobicContact CD2-CB 4.22Å; L1580-F1633 HydrophobicContact CD1-CB 3.45Å; L1580-F1633 VanDerWaalsContact CD1-CB 3.45Å; L1580-F1633 HydrophobicContact CD1-CD2 3.52Å; L1580-F1633 HydrophobicContact CD1-CG 3.85Å; L1580-M1636 HydrophobicContact CD2-SD 3.83Å; L1580-M1636 HydrophobicContact CG-CE 4.34Å; L1580-M1636 HydrophobicContact CG-SD 4.21Å |
| 1581 | T | 81.4 | Confident | 79 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 179.2 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | S1577 D1578 A1579 A1583 F1584 T1585 | S1577-T1581 WeakPolarHBondContact O-CB 3.46Å; S1577-T1581 PolarHBondContact O-N 3.45Å; S1577-T1581 PolarHBondContact O-OG1 3.3Å; D1578-T1581 PolarHBondContact O-N 3.22Å; A1579-T1581 VanDerWaalsContact C-N 3.3Å; A1579-T1581 PolarHBondContact O-N 2.85Å; T1581-A1583 VanDerWaalsContact C-N 3.35Å; T1581-A1583 PolarHBondContact O-N 3.48Å; T1581-F1584 PolarHBondContact O-N 2.88Å; T1581-T1585 HydrophobicContact CG2-CG2 4.3Å; T1581-T1585 WeakPolarHBondContact O-CB 3.31Å; T1581-T1585 VanDerWaalsContact O-CG2 3.25Å; T1581-T1585 WeakPolarHBondContact O-CG2 3.4Å; T1581-T1585 PolarHBondContact O-N 2.89Å; T1581-T1585 PolarHBondContact O-OG1 3.32Å |
| 1582 | A | 82 | Confident | 79.7 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1545 I1549 D1578 A1579 T1585 S1586 | F1545-A1582 HydrophobicContact CD1-CB 3.95Å; F1545-A1582 HydrophobicContact CE1-CB 3.56Å; F1545-A1582 HydrophobicContact CE2-CB 4.28Å; F1545-A1582 HydrophobicContact CG-CB 4.48Å; F1545-A1582 HydrophobicContact CZ-CB 3.75Å; I1549-A1582 HydrophobicContact CG2-CB 4.2Å; D1578-A1582 WeakPolarHBondContact O-CB 3.49Å; D1578-A1582 PolarHBondContact O-N 3Å; A1579-A1582 PolarHBondContact O-N 3.4Å; A1582-T1585 VanDerWaalsContact CA-OG1 3.3Å; A1582-T1585 WeakPolarHBondContact CA-OG1 3.25Å; A1582-T1585 PolarHBondContact O-OG1 3.24Å; A1582-S1586 WeakPolarHBondContact O-CB 3.47Å; A1582-S1586 PolarHBondContact O-N 3.41Å; A1582-S1586 VanDerWaalsContact O-N 3.08Å; A1582-S1586 PolarHBondContact O-OG 2.88Å |
| 1583 | A | 83.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -48.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1548 I1549 L1552 A1579 L1580 T1581 S1586 V1587 F1633 | W1548-A1583 HydrophobicContact CE3-CB 4.42Å; W1548-A1583 HydrophobicContact CH2-CB 3.15Å; W1548-A1583 HydrophobicContact CZ2-CB 4.27Å; W1548-A1583 HydrophobicContact CZ3-CB 3.25Å; I1549-A1583 HydrophobicContact CD1-CB 4.24Å; I1549-A1583 HydrophobicContact CG1-CB 4.2Å; L1552-A1583 HydrophobicContact CD1-CB 4.26Å; A1579-A1583 WeakPolarHBondContact O-CB 3.4Å; A1579-A1583 PolarHBondContact O-N 3.11Å; L1580-A1583 PolarHBondContact O-N 3.43Å; T1581-A1583 VanDerWaalsContact C-N 3.35Å; T1581-A1583 PolarHBondContact O-N 3.48Å; A1583-S1586 WeakPolarHBondContact O-CB 3.11Å; A1583-S1586 PolarHBondContact O-N 3.39Å; A1583-V1587 PolarHBondContact O-N 3.25Å; A1583-V1587 VanDerWaalsContact O-N 3.11Å; A1583-F1633 HydrophobicContact CB-CE2 3.8Å; A1583-F1633 HydrophobicContact CB-CZ 4.21Å |
| 1584 | F | 86.1 | Confident | 80.3 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 178.3 | 179.2 | -97.6 | 0 | 0 | 0 | 112 | L1580 T1581 S1586 V1587 E1588 M1636 L1640 | L1580-F1584 WeakPolarHBondContact O-CB 3.42Å; L1580-F1584 PolarHBondContact O-N 3.01Å; T1581-F1584 PolarHBondContact O-N 2.88Å; F1584-S1586 VanDerWaalsContact C-N 3.26Å; F1584-S1586 PolarHBondContact O-N 3.11Å; F1584-V1587 PolarHBondContact O-N 3.21Å; F1584-E1588 WeakPolarHBondContact O-CB 3.08Å; F1584-E1588 PolarHBondContact O-N 2.95Å; F1584-M1636 HydrophobicContact CB-CE 3.41Å; F1584-M1636 VanDerWaalsContact CB-CE 3.41Å; F1584-M1636 HydrophobicContact CD1-CE 3.89Å; F1584-M1636 HydrophobicContact CD2-CB 3.71Å; F1584-M1636 HydrophobicContact CD2-CE 3.32Å; F1584-M1636 HydrophobicContact CE2-CB 3.7Å; F1584-M1636 HydrophobicContact CE2-CE 3.99Å; F1584-M1636 WeakPolarHBondContact CE2-O 3.48Å; F1584-M1636 HydrophobicContact CG-CE 3.23Å; F1584-L1640 HydrophobicContact CD2-CD2 4.28Å; F1584-L1640 HydrophobicContact CE2-CB 3.61Å; F1584-L1640 HydrophobicContact CE2-CD2 3.69Å; F1584-L1640 HydrophobicContact CE2-CG 4.14Å; F1584-L1640 HydrophobicContact CZ-CB 3.76Å; F1584-L1640 HydrophobicContact CZ-CD1 3.94Å; F1584-L1640 HydrophobicContact CZ-CD2 3.88Å; F1584-L1640 HydrophobicContact CZ-CG 4.07Å |
| 1585 | T | 87.6 | Confident | 80.4 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -34.4 | 177.5 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | T1581 A1582 E1588 A1589 | T1581-T1585 HydrophobicContact CG2-CG2 4.3Å; T1581-T1585 WeakPolarHBondContact O-CB 3.31Å; T1581-T1585 VanDerWaalsContact O-CG2 3.25Å; T1581-T1585 WeakPolarHBondContact O-CG2 3.4Å; T1581-T1585 PolarHBondContact O-N 2.89Å; T1581-T1585 PolarHBondContact O-OG1 3.32Å; A1582-T1585 VanDerWaalsContact CA-OG1 3.3Å; A1582-T1585 WeakPolarHBondContact CA-OG1 3.25Å; A1582-T1585 PolarHBondContact O-OG1 3.24Å; T1585-E1588 PolarHBondContact O-N 3.43Å; T1585-A1589 WeakPolarHBondContact O-CB 3.24Å; T1585-A1589 PolarHBondContact O-N 2.92Å |
| 1586 | S | 88.1 | Confident | 80.8 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.1 | -59 | 0 | 0 | 0 | 0 | 112.1 | Q1553 A1556 A1582 A1583 F1584 K1590 | Q1553-S1586 VanDerWaalsContact CG-OG 3.24Å; Q1553-S1586 WeakPolarHBondContact CG-OG 3.25Å; A1556-S1586 WeakPolarHBondContact CB-O 3.31Å; A1582-S1586 WeakPolarHBondContact O-CB 3.47Å; A1582-S1586 PolarHBondContact O-N 3.41Å; A1582-S1586 VanDerWaalsContact O-N 3.08Å; A1582-S1586 PolarHBondContact O-OG 2.88Å; A1583-S1586 WeakPolarHBondContact O-CB 3.11Å; A1583-S1586 PolarHBondContact O-N 3.39Å; F1584-S1586 VanDerWaalsContact C-N 3.26Å; F1584-S1586 PolarHBondContact O-N 3.11Å; S1586-K1590 PolarHBondContact O-N 2.9Å |
| 1587 | V | 89.1 | Confident | 81.1 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 174.7 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | L1552 A1583 F1584 A1589 K1590 L1591 L1600 L1603 L1637 L1640 F1641 | L1552-V1587 HydrophobicContact CD1-CG2 4Å; L1552-V1587 HydrophobicContact CD2-CG2 4.07Å; A1583-V1587 PolarHBondContact O-N 3.25Å; A1583-V1587 VanDerWaalsContact O-N 3.11Å; F1584-V1587 PolarHBondContact O-N 3.21Å; V1587-A1589 VanDerWaalsContact C-N 3.33Å; V1587-A1589 PolarHBondContact O-N 3.45Å; V1587-K1590 PolarHBondContact O-N 3.47Å; V1587-K1590 VanDerWaalsContact O-N 3.16Å; V1587-L1591 HydrophobicContact CG1-CD1 4.01Å; V1587-L1591 HydrophobicContact CG1-CG 4.41Å; V1587-L1591 WeakPolarHBondContact O-CG 3.48Å; V1587-L1591 PolarHBondContact O-N 3.49Å; V1587-L1600 HydrophobicContact CG1-CD2 4.32Å; V1587-L1603 HydrophobicContact CG1-CD2 4.34Å; V1587-L1637 HydrophobicContact CB-CD2 4.02Å; V1587-L1637 HydrophobicContact CG1-CD2 3.69Å; V1587-L1637 HydrophobicContact CG2-CD2 4.14Å; V1587-L1640 HydrophobicContact CG1-CD2 4.36Å; V1587-F1641 HydrophobicContact CG1-CE2 4.34Å |
| 1588 | E | 89.2 | Confident | 81.5 | Confident | 70 Ų | 70 | 41.6 Ų | 41.6 | 33% | 0.327 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 176.7 | -179.6 | 169 | -141.4 | 0 | 0 | 112.4 | F1584 T1585 K1590 L1591 L1592 L1640 R1644 | F1584-E1588 WeakPolarHBondContact O-CB 3.08Å; F1584-E1588 PolarHBondContact O-N 2.95Å; T1585-E1588 PolarHBondContact O-N 3.43Å; E1588-K1590 VanDerWaalsContact C-N 3.35Å; E1588-L1591 PolarHBondContact O-N 3.32Å; E1588-L1592 HydrophobicContact CG-CD1 4.18Å; E1588-L1592 WeakPolarHBondContact O-CG 3.09Å; E1588-L1592 PolarHBondContact O-N 3.47Å; E1588-L1640 HydrophobicContact CB-CD1 4.1Å; E1588-L1640 HydrophobicContact CB-CD2 3.84Å; E1588-L1640 HydrophobicContact CG-CD1 3.85Å; E1588-L1640 HydrophobicContact CG-CD2 4.5Å; E1588-R1644 PolarHBondContact O-NH1 3.39Å |
| 1589 | A | 87.8 | Confident | 82 | Confident | 22 Ų | 22 | 37.5 Ų | 37.5 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1556 T1585 V1587 L1591 L1592 I1595 | A1556-A1589 HydrophobicContact CB-CB 4.44Å; T1585-A1589 WeakPolarHBondContact O-CB 3.24Å; T1585-A1589 PolarHBondContact O-N 2.92Å; V1587-A1589 VanDerWaalsContact C-N 3.33Å; V1587-A1589 PolarHBondContact O-N 3.45Å; A1589-L1591 VanDerWaalsContact C-N 3.29Å; A1589-L1591 PolarHBondContact O-N 3.14Å; A1589-L1592 PolarHBondContact O-N 3.42Å; A1589-I1595 HydrophobicContact CB-CD1 4.43Å; A1589-I1595 HydrophobicContact CB-CG2 4.37Å |
| 1590 | K | 90.1 | Very high | 82.7 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.3 | -28.2 | 176.2 | -170.9 | 55.9 | 173.3 | -176.2 | 0 | 113 | I1555 A1556 S1560 V1562 S1586 V1587 E1588 S1596 T1598 P1599 L1600 | I1555-K1590 HydrophobicContact CG2-CD 4.2Å; I1555-K1590 HydrophobicContact CG2-CG 4.12Å; I1555-K1590 VanDerWaalsContact O-CD 3.23Å; I1555-K1590 WeakPolarHBondContact O-CD 3.3Å; I1555-K1590 WeakPolarHBondContact O-CE 3.2Å; I1555-K1590 PolarHBondContact O-NZ 2.86Å; A1556-K1590 HydrophobicContact CB-CB 4.33Å; S1560-K1590 PolarHBondContact O-NZ 2.86Å; S1560-K1590 PolarHBondContact OG-NZ 3.47Å; V1562-K1590 WeakPolarHBondContact O-CE 3.35Å; S1586-K1590 PolarHBondContact O-N 2.9Å; V1587-K1590 PolarHBondContact O-N 3.47Å; V1587-K1590 VanDerWaalsContact O-N 3.16Å; E1588-K1590 VanDerWaalsContact C-N 3.35Å; K1590-S1596 WeakPolarHBondContact CD-OG 3.36Å; K1590-S1596 WeakPolarHBondContact CE-OG 3.48Å; K1590-S1596 PolarHBondContact NZ-OG 2.94Å; K1590-T1598 WeakPolarHBondContact CE-O 3.38Å; K1590-P1599 VanDerWaalsContact O-CA 3.3Å; K1590-P1599 WeakPolarHBondContact O-CA 3.36Å; K1590-L1600 HydrophobicContact CG-CB 3.88Å; K1590-L1600 PolarHBondContact O-N 3.3Å |
| 1591 | L | 85.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -78.4 | -18.1 | 175.1 | -70.9 | 170.8 | 0 | 0 | 0 | 113.4 | V1587 E1588 A1589 P1593 L1600 L1640 F1641 R1644 F1645 I1662 | V1587-L1591 HydrophobicContact CG1-CD1 4.01Å; V1587-L1591 HydrophobicContact CG1-CG 4.41Å; V1587-L1591 WeakPolarHBondContact O-CG 3.48Å; V1587-L1591 PolarHBondContact O-N 3.49Å; E1588-L1591 PolarHBondContact O-N 3.32Å; A1589-L1591 VanDerWaalsContact C-N 3.29Å; A1589-L1591 PolarHBondContact O-N 3.14Å; L1591-P1593 VanDerWaalsContact O-CD 3.25Å; L1591-P1593 WeakPolarHBondContact O-CD 3.42Å; L1591-L1600 HydrophobicContact CD2-CB 3.82Å; L1591-L1600 WeakPolarHBondContact CD2-O 3.23Å; L1591-L1600 HydrophobicContact CG-CB 4.42Å; L1591-L1640 HydrophobicContact CD1-CD2 3.77Å; L1591-L1640 HydrophobicContact CD1-CG 4.01Å; L1591-F1641 HydrophobicContact CD1-CD2 4.15Å; L1591-F1641 HydrophobicContact CD1-CE1 4.25Å; L1591-F1641 HydrophobicContact CD1-CE2 3.83Å; L1591-F1641 HydrophobicContact CD1-CZ 3.89Å; L1591-F1641 HydrophobicContact CD2-CD1 4.47Å; L1591-F1641 HydrophobicContact CD2-CE1 3.74Å; L1591-F1641 HydrophobicContact CD2-CZ 3.8Å; L1591-F1641 HydrophobicContact CG-CZ 4.36Å; L1591-R1644 VanDerWaalsContact C-CZ 3.46Å; L1591-R1644 VanDerWaalsContact C-NH1 3.35Å; L1591-R1644 VanDerWaalsContact CB-NH1 3.29Å; L1591-R1644 PolarHBondContact O-NE 2.94Å; L1591-F1645 HydrophobicContact CD2-CE2 4.09Å; L1591-F1645 HydrophobicContact CD2-CZ 4.42Å; L1591-I1662 HydrophobicContact CD2-CD1 4.35Å |
| 1592 | L | 81.4 | Confident | 83.7 | Confident | 52 Ų | 52 | 42 Ų | 42 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | trans | -76.8 | 112.6 | -179.1 | -86.2 | 154.2 | 0 | 0 | 0 | 111.5 | E1588 A1589 A1594 I1595 S1596 R1644 | E1588-L1592 HydrophobicContact CG-CD1 4.18Å; E1588-L1592 WeakPolarHBondContact O-CG 3.09Å; E1588-L1592 PolarHBondContact O-N 3.47Å; A1589-L1592 PolarHBondContact O-N 3.42Å; L1592-A1594 PolarHBondContact O-N 2.97Å; L1592-A1594 VanDerWaalsContact O-N 3.14Å; L1592-I1595 HydrophobicContact CB-CB 3.97Å; L1592-I1595 HydrophobicContact CB-CD1 3.95Å; L1592-I1595 HydrophobicContact CB-CG1 3.86Å; L1592-I1595 HydrophobicContact CD1-CD1 3.49Å; L1592-I1595 VanDerWaalsContact CD1-CD1 3.49Å; L1592-I1595 HydrophobicContact CD1-CG1 4.3Å; L1592-I1595 HydrophobicContact CG-CD1 4.25Å; L1592-I1595 PolarHBondContact O-N 3.26Å; L1592-S1596 PolarHBondContact O-N 3.39Å; L1592-R1644 VanDerWaalsContact CA-NH2 3.27Å | ||
| 1593 | P | 72.8 | Confident | 84.2 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.1 | 175.9 | -22.3 | 34.5 | 0 | 0 | 0 | 112.9 | L1591 I1595 S1596 | L1591-P1593 VanDerWaalsContact O-CD 3.25Å; L1591-P1593 WeakPolarHBondContact O-CD 3.42Å; P1593-I1595 VanDerWaalsContact C-N 3.27Å; P1593-I1595 PolarHBondContact O-N 3.02Å; P1593-S1596 CarbonylContact C-O 3.56Å; P1593-S1596 WeakPolarHBondContact CA-O 3.48Å |
| 1594 | A | 74.2 | Confident | 84.5 | Confident | 97 Ų | 97 | 41.9 Ų | 41.9 | 80% | 0.802 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1592 | L1592-A1594 PolarHBondContact O-N 2.97Å; L1592-A1594 VanDerWaalsContact O-N 3.14Å |
| 1595 | I | 71.3 | Confident | 84.6 | Confident | 80 Ų | 80 | 40.3 Ų | 40.3 | 41% | 0.41 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -39.1 | -176.5 | -57.8 | -178.1 | 0 | 0 | 0 | 110.8 | A1589 L1592 P1593 | A1589-I1595 HydrophobicContact CB-CD1 4.43Å; A1589-I1595 HydrophobicContact CB-CG2 4.37Å; L1592-I1595 HydrophobicContact CB-CB 3.97Å; L1592-I1595 HydrophobicContact CB-CD1 3.95Å; L1592-I1595 HydrophobicContact CB-CG1 3.86Å; L1592-I1595 HydrophobicContact CD1-CD1 3.49Å; L1592-I1595 VanDerWaalsContact CD1-CD1 3.49Å; L1592-I1595 HydrophobicContact CD1-CG1 4.3Å; L1592-I1595 HydrophobicContact CG-CD1 4.25Å; L1592-I1595 PolarHBondContact O-N 3.26Å; P1593-I1595 VanDerWaalsContact C-N 3.27Å; P1593-I1595 PolarHBondContact O-N 3.02Å |
| 1596 | S | 75.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -120.7 | 120.6 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | K1590 L1592 P1593 T1598 | K1590-S1596 WeakPolarHBondContact CD-OG 3.36Å; K1590-S1596 WeakPolarHBondContact CE-OG 3.48Å; K1590-S1596 PolarHBondContact NZ-OG 2.94Å; L1592-S1596 PolarHBondContact O-N 3.39Å; P1593-S1596 CarbonylContact C-O 3.56Å; P1593-S1596 WeakPolarHBondContact CA-O 3.48Å; S1596-T1598 PolarHBondContact O-N 2.94Å; S1596-T1598 PolarHBondContact OG-O 3.32Å | ||
| 1597 | S | 76.8 | Confident | 83.9 | Confident | 103 Ų | 103 | 37.7 Ų | 37.7 | 72% | 0.72 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -63.8 | -21.5 | 176.7 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1598 | T | 83.9 | Confident | 82.7 | Confident | 40 Ų | 40 | 39.4 Ų | 39.4 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -121.2 | 94.9 | 175.4 | 54.8 | 0 | 0 | 0 | 0 | 108.8 | S1560 A1561 K1590 S1596 | S1560-T1598 PolarHBondContact O-OG1 2.84Å; A1561-T1598 WeakPolarHBondContact CA-OG1 3.3Å; K1590-T1598 WeakPolarHBondContact CE-O 3.38Å; S1596-T1598 PolarHBondContact O-N 2.94Å; S1596-T1598 PolarHBondContact OG-O 3.32Å |
| 1599 | P | 84.8 | Confident | 81.5 | Confident | 34 Ų | 34 | 38.7 Ų | 38.7 | 22% | 0.221 | 23% | 0.233 | C | C | . | . | trans | -67.9 | 147.4 | -178.5 | 26.3 | -32.8 | 0 | 0 | 0 | 111.6 | K1590 Q1601 | K1590-P1599 VanDerWaalsContact O-CA 3.3Å; K1590-P1599 WeakPolarHBondContact O-CA 3.36Å; P1599-Q1601 PolarHBondContact O-N 3.16Å; P1599-Q1601 VanDerWaalsContact O-N 3.16Å | ||
| 1600 | L | 87.9 | Confident | 79.9 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | -60.9 | 114.7 | 174.8 | -168.5 | 66 | 0 | 0 | 0 | 109.9 | L1565 V1587 K1590 L1591 L1603 I1662 | L1565-L1600 HydrophobicContact CB-CD1 4.26Å; V1587-L1600 HydrophobicContact CG1-CD2 4.32Å; K1590-L1600 HydrophobicContact CG-CB 3.88Å; K1590-L1600 PolarHBondContact O-N 3.3Å; L1591-L1600 HydrophobicContact CD2-CB 3.82Å; L1591-L1600 WeakPolarHBondContact CD2-O 3.23Å; L1591-L1600 HydrophobicContact CG-CB 4.42Å; L1600-L1603 HydrophobicContact CD2-CB 3.98Å; L1600-L1603 HydrophobicContact CD2-CD1 4.36Å; L1600-L1603 HydrophobicContact CD2-CD2 4.37Å; L1600-L1603 HydrophobicContact CD2-CG 4.46Å; L1600-I1662 VanDerWaalsContact O-CD1 3.29Å; L1600-I1662 WeakPolarHBondContact O-CD1 3.47Å | ||
| 1601 | Q | 88.7 | Confident | 78.2 | Confident | 106 Ų | 106 | 49.4 Ų | 49.4 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | trans | -91.7 | -35 | 179.8 | -67.1 | 175.7 | -6.5 | 0 | 0 | 112 | V1563 P1599 S1661 I1662 | V1563-Q1601 HydrophobicContact CB-CB 4.22Å; V1563-Q1601 HydrophobicContact CB-CG 4.1Å; V1563-Q1601 WeakPolarHBondContact O-CA 3.37Å; V1563-Q1601 PolarHBondContact O-N 3.21Å; P1599-Q1601 PolarHBondContact O-N 3.16Å; P1599-Q1601 VanDerWaalsContact O-N 3.16Å; Q1601-S1661 CarbonylContact O-C 3.54Å; Q1601-S1661 WeakPolarHBondContact O-CA 3.44Å; Q1601-I1662 PolarHBondContact O-N 3.36Å | ||
| 1602 | E | 91.4 | Very high | 76.8 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.1 | -178.3 | -168.1 | -175.7 | -155.3 | 0 | 0 | 110.9 | V1563 S1564 L1565 I1604 R1657 T1659 F1660 | V1563-E1602 PolarHBondContact O-N 3.44Å; S1564-E1602 CarbonylContact C-O 3.48Å; S1564-E1602 VanDerWaalsContact CA-O 3.25Å; S1564-E1602 WeakPolarHBondContact CA-O 3.37Å; S1564-E1602 PolarHBondContact OG-OE2 2.91Å; L1565-E1602 PolarHBondContact N-O 2.84Å; E1602-I1604 HydrophobicContact CG-CD1 4.08Å; E1602-I1604 HydrophobicContact CG-CG1 3.98Å; E1602-R1657 IonicContact OE1-NH2 3.27Å; E1602-T1659 HydrophobicContact CG-CG2 3.9Å; E1602-T1659 WeakPolarHBondContact OE1-CG2 3.45Å; E1602-F1660 CarbonylContact C-O 3.42Å; E1602-F1660 VanDerWaalsContact CA-O 3.27Å; E1602-F1660 WeakPolarHBondContact CA-O 3.35Å |
| 1603 | L | 92.1 | Very high | 75.5 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 114.2 | 171.8 | 179 | 61 | 0 | 0 | 0 | 108.9 | L1565 V1587 L1600 I1605 L1637 F1641 T1659 F1660 | L1565-L1603 HydrophobicContact CB-CD1 4.08Å; L1565-L1603 HydrophobicContact CD2-CD1 3.94Å; L1565-L1603 HydrophobicContact CG-CD1 4.17Å; V1587-L1603 HydrophobicContact CG1-CD2 4.34Å; L1600-L1603 HydrophobicContact CD2-CB 3.98Å; L1600-L1603 HydrophobicContact CD2-CD1 4.36Å; L1600-L1603 HydrophobicContact CD2-CD2 4.37Å; L1600-L1603 HydrophobicContact CD2-CG 4.46Å; L1603-I1605 HydrophobicContact CD1-CG1 4.44Å; L1603-I1605 HydrophobicContact CD2-CD1 4.18Å; L1603-I1605 HydrophobicContact CD2-CG1 4.49Å; L1603-I1605 HydrophobicContact CG-CD1 4.33Å; L1603-I1605 HydrophobicContact CG-CG1 4.09Å; L1603-L1637 HydrophobicContact CD2-CD1 4.04Å; L1603-L1637 HydrophobicContact CD2-CD2 4.45Å; L1603-F1641 HydrophobicContact CB-CZ 4.31Å; L1603-F1641 HydrophobicContact CD2-CE2 4.47Å; L1603-T1659 CarbonylContact O-C 3.46Å; L1603-T1659 WeakPolarHBondContact O-CA 3.48Å; L1603-F1660 HydrophobicContact CB-CB 4.35Å; L1603-F1660 HydrophobicContact CB-CD2 4.49Å; L1603-F1660 PolarHBondContact N-O 3.02Å; L1603-F1660 PolarHBondContact O-N 2.94Å |
| 1604 | I | 91.3 | Very high | 74.8 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.5 | 179.9 | -60.3 | 152.5 | 0 | 0 | 0 | 108.4 | L1565 T1566 I1567 E1602 R1657 V1658 T1659 | L1565-I1604 PolarHBondContact O-N 3.34Å; T1566-I1604 WeakPolarHBondContact CA-O 3.4Å; T1566-I1604 HydrophobicContact CG2-CB 4.01Å; T1566-I1604 HydrophobicContact CG2-CG2 3.77Å; T1566-I1604 WeakPolarHBondContact OG1-CD1 3.47Å; I1567-I1604 PolarHBondContact N-O 3.21Å; E1602-I1604 HydrophobicContact CG-CD1 4.08Å; E1602-I1604 HydrophobicContact CG-CG1 3.98Å; I1604-R1657 HydrophobicContact CG2-CG 3.47Å; I1604-R1657 VanDerWaalsContact CG2-CG 3.47Å; I1604-V1658 WeakPolarHBondContact CA-O 3.41Å; I1604-T1659 HydrophobicContact CG1-CG2 3.7Å |
| 1605 | I | 87.7 | Confident | 73.8 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.1 | 179.3 | -59.2 | -177.5 | 0 | 0 | 0 | 108.9 | I1567 L1569 L1603 F1633 L1634 L1637 R1657 V1658 F1660 | I1567-I1605 CarbonylContact O-C 3.59Å; I1567-I1605 WeakPolarHBondContact O-CA 3.49Å; L1569-I1605 HydrophobicContact CB-CG2 3.7Å; L1569-I1605 HydrophobicContact CD1-CG2 3.53Å; L1569-I1605 HydrophobicContact CG-CG2 4.23Å; L1603-I1605 HydrophobicContact CD1-CG1 4.44Å; L1603-I1605 HydrophobicContact CD2-CD1 4.18Å; L1603-I1605 HydrophobicContact CD2-CG1 4.49Å; L1603-I1605 HydrophobicContact CG-CD1 4.33Å; L1603-I1605 HydrophobicContact CG-CG1 4.09Å; I1605-F1633 HydrophobicContact CD1-CE1 4.38Å; I1605-L1634 HydrophobicContact CD1-CD2 3.78Å; I1605-L1634 HydrophobicContact CG2-CD2 4.4Å; I1605-L1637 HydrophobicContact CD1-CD1 3.61Å; I1605-R1657 WeakPolarHBondContact O-CA 3.44Å; I1605-V1658 PolarHBondContact N-O 3.48Å; I1605-V1658 PolarHBondContact O-N 2.92Å; I1605-F1660 HydrophobicContact CD1-CE2 4.09Å |
| 1606 | I | 82.8 | Confident | 73.2 | Confident | 19 Ų | 19 | 48 Ų | 48 | 10% | 0.097 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 108.6 | 178.5 | -55.7 | -91.2 | 0 | 0 | 0 | 108.6 | D1529 T1566 I1567 D1568 L1569 F1656 R1657 | D1529-I1606 HydrophobicContact CB-CG1 3.97Å; T1566-I1606 HydrophobicContact CG2-CD1 4.4Å; T1566-I1606 HydrophobicContact CG2-CG1 4.07Å; I1567-I1606 PolarHBondContact O-N 3.33Å; D1568-I1606 CarbonylContact C-O 3.5Å; D1568-I1606 WeakPolarHBondContact CA-O 3.44Å; L1569-I1606 PolarHBondContact N-O 2.83Å; I1606-F1656 CarbonylContact C-O 3.54Å; I1606-F1656 VanDerWaalsContact CA-O 3.26Å; I1606-F1656 WeakPolarHBondContact CA-O 3.37Å; I1606-R1657 HydrophobicContact CD1-CB 4.49Å; I1606-R1657 HydrophobicContact CD1-CG 4.39Å |
| 1607 | H | 77.8 | Confident | 72.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -111.3 | 148.9 | 179.9 | 66 | 91.4 | 0 | 0 | 0 | 112 | L1569 D1609 I1612 N1613 F1656 | L1569-H1607 HydrophobicContact CB-CB 3.67Å; L1569-H1607 HydrophobicContact CD2-CB 3.58Å; L1569-H1607 HydrophobicContact CG-CB 4.17Å; H1607-D1609 PolarHBondContact ND1-O 3.13Å; H1607-D1609 VanDerWaalsContact ND1-O 3.17Å; H1607-I1612 HydrophobicContact CB-CD1 4.14Å; H1607-N1613 PolarHBondContact CE1-OD1 3.03Å; H1607-F1656 PolarHBondContact CD2-O 3.33Å; H1607-F1656 PolarHBondContact N-O 3.17Å; H1607-F1656 WeakPolarHBondContact O-CA 3.33Å; H1607-F1656 WeakPolarHBondContact O-CB 3.43Å; H1607-F1656 WeakPolarHBondContact O-CD1 3.32Å | ||
| 1608 | N | 64.5 | Low | 71.2 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | trans | -96.8 | -6.9 | 171.4 | -64.4 | 20.9 | 0 | 0 | 0 | 112.1 | T1442 R1535 I1610 | T1442-N1608 HydrophobicContact CG2-CB 4.26Å; R1535-N1608 PolarHBondContact NH2-OD1 3.37Å; N1608-I1610 PolarHBondContact O-N 3.23Å | ||
| 1609 | D | 62.7 | Low | 69.4 | Low | 56 Ų | 56 | 60 Ų | 60 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | trans | -79.8 | 113.6 | -168.8 | -127.6 | -36.8 | 0 | 0 | 0 | 111.9 | H1607 M1611 I1612 | H1607-D1609 PolarHBondContact ND1-O 3.13Å; H1607-D1609 VanDerWaalsContact ND1-O 3.17Å; D1609-M1611 PolarHBondContact O-N 2.75Å; D1609-I1612 HydrophobicContact CB-CB 4.42Å; D1609-I1612 HydrophobicContact CB-CD1 3.61Å; D1609-I1612 HydrophobicContact CB-CG1 3.92Å; D1609-I1612 WeakPolarHBondContact O-CB 3.3Å; D1609-I1612 PolarHBondContact O-N 3.18Å; D1609-I1612 VanDerWaalsContact O-N 3.16Å | ||
| 1610 | I | 54.7 | Low | 67.6 | Low | 126 Ų | 126 | 60 Ų | 60 | 65% | 0.646 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -60.7 | -38.4 | -179.5 | -62.1 | 170.6 | 0 | 0 | 0 | 110.4 | N1608 I1612 N1613 | N1608-I1610 PolarHBondContact O-N 3.23Å; I1610-I1612 PolarHBondContact O-N 3.38Å; I1610-N1613 VanDerWaalsContact O-CB 3.25Å; I1610-N1613 WeakPolarHBondContact O-CB 3.48Å; I1610-N1613 PolarHBondContact O-N 3.38Å |
| 1611 | M | 55.4 | Low | 65.7 | Low | 124 Ų | 124 | 65.5 Ų | 65.5 | 61% | 0.611 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -61.5 | -32.5 | -177.5 | -67.1 | -74.5 | -161 | 0 | 0 | 110.4 | D1609 N1613 N1614 Y1631 | D1609-M1611 PolarHBondContact O-N 2.75Å; M1611-N1613 PolarHBondContact O-N 3.36Å; M1611-N1613 VanDerWaalsContact O-N 3.16Å; M1611-N1614 PolarHBondContact O-N 3.36Å; M1611-N1614 VanDerWaalsContact O-N 3.1Å; M1611-Y1631 VanDerWaalsContact CA-OH 3.26Å; M1611-Y1631 WeakPolarHBondContact CA-OH 3.36Å; M1611-Y1631 HydrophobicContact CB-CE2 4.43Å; M1611-Y1631 WeakPolarHBondContact CB-OH 3.49Å; M1611-Y1631 PolarHBondContact O-OH 3.09Å |
| 1612 | I | 55.5 | Low | 63.7 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -60.5 | -28 | 179.2 | -69.6 | 169.2 | 0 | 0 | 0 | 109.6 | L1569 H1607 D1609 I1610 N1614 W1615 Y1631 L1634 K1653 V1658 | L1569-I1612 HydrophobicContact CD2-CD1 3.36Å; H1607-I1612 HydrophobicContact CB-CD1 4.14Å; D1609-I1612 HydrophobicContact CB-CB 4.42Å; D1609-I1612 HydrophobicContact CB-CD1 3.61Å; D1609-I1612 HydrophobicContact CB-CG1 3.92Å; D1609-I1612 WeakPolarHBondContact O-CB 3.3Å; D1609-I1612 PolarHBondContact O-N 3.18Å; D1609-I1612 VanDerWaalsContact O-N 3.16Å; I1610-I1612 PolarHBondContact O-N 3.38Å; I1612-N1614 VanDerWaalsContact C-N 3.25Å; I1612-N1614 PolarHBondContact O-N 3.15Å; I1612-W1615 WeakPolarHBondContact O-CB 3.25Å; I1612-W1615 PolarHBondContact O-N 3.21Å; I1612-Y1631 HydrophobicContact CB-CE1 4.33Å; I1612-Y1631 HydrophobicContact CG1-CD1 4.35Å; I1612-Y1631 HydrophobicContact CG1-CE1 3.83Å; I1612-Y1631 HydrophobicContact CG1-CE2 4.18Å; I1612-Y1631 PolarHBondContact N-OH 3.43Å; I1612-Y1631 VanDerWaalsContact N-OH 3.07Å; I1612-L1634 HydrophobicContact CD1-CD1 3.85Å; I1612-L1634 HydrophobicContact CG1-CD1 4.25Å; I1612-L1634 HydrophobicContact CG2-CD1 3.6Å; I1612-K1653 WeakPolarHBondContact O-CE 3.3Å; I1612-K1653 PolarHBondContact O-NZ 2.88Å; I1612-V1658 HydrophobicContact CG2-CG2 4.44Å |
| 1613 | N | 54.6 | Low | 61.8 | Low | 56 Ų | 56 | 69.2 Ų | 69.2 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -61.2 | -26.4 | 176.9 | -71.6 | -24 | 0 | 0 | 0 | 115 | H1607 I1610 M1611 K1653 N1655 | H1607-N1613 PolarHBondContact CE1-OD1 3.03Å; I1610-N1613 VanDerWaalsContact O-CB 3.25Å; I1610-N1613 WeakPolarHBondContact O-CB 3.48Å; I1610-N1613 PolarHBondContact O-N 3.38Å; M1611-N1613 PolarHBondContact O-N 3.36Å; M1611-N1613 VanDerWaalsContact O-N 3.16Å; N1613-K1653 VanDerWaalsContact CA-NZ 3.29Å; N1613-K1653 PolarHBondContact O-NZ 3.26Å; N1613-N1655 VanDerWaalsContact CG-O 3.24Å; N1613-N1655 PolarHBondContact ND2-O 2.95Å; N1613-N1655 PolarHBondContact OD1-O 2.61Å |
| 1614 | N | 56.3 | Low | 59.7 | Low | 133 Ų | 133 | 72.5 Ų | 72.5 | 71% | 0.711 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -87.9 | -5.4 | -179.4 | -64.8 | -15.6 | 0 | 0 | 0 | 114.3 | M1611 I1612 S1616 | M1611-N1614 PolarHBondContact O-N 3.36Å; M1611-N1614 VanDerWaalsContact O-N 3.1Å; I1612-N1614 VanDerWaalsContact C-N 3.25Å; I1612-N1614 PolarHBondContact O-N 3.15Å; N1614-S1616 PolarHBondContact O-N 3.11Å |
| 1615 | W | 53.5 | Low | 57.9 | Low | 38 Ų | 38 | 80.5 Ų | 80.5 | 14% | 0.144 | 43% | 0.433 | C | S | . | . | trans | -67.4 | 119.9 | 176.7 | 179.4 | 47.7 | 0 | 0 | 0 | 111.9 | I1612 L1617 Y1631 L1634 F1635 K1653 | I1612-W1615 WeakPolarHBondContact O-CB 3.25Å; I1612-W1615 PolarHBondContact O-N 3.21Å; W1615-L1617 HydrophobicContact CH2-CD1 3.99Å; W1615-L1617 HydrophobicContact CZ2-CD1 4.05Å; W1615-Y1631 HydrophobicContact CB-CD1 4.48Å; W1615-Y1631 HydrophobicContact CB-CE1 4.16Å; W1615-L1634 HydrophobicContact CH2-CB 4.15Å; W1615-L1634 WeakPolarHBondContact CH2-O 3.42Å; W1615-L1634 HydrophobicContact CZ3-CB 3.92Å; W1615-F1635 HydrophobicContact CZ2-CB 4.06Å; W1615-F1635 AromaticContact CZ2-CD2 3.96Å; W1615-F1635 HydrophobicContact CZ2-CD2 3.96Å; W1615-K1653 PolarHBondContact O-NZ 2.75Å | ||
| 1616 | S | 58.5 | Low | 56.3 | Low | 56 Ų | 56 | 88 Ų | 88 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | trans | -102.6 | 138.8 | 169 | 69.2 | 0 | 0 | 0 | 0 | 111 | N1614 E1618 | N1614-S1616 PolarHBondContact O-N 3.11Å; S1616-E1618 PolarHBondContact O-N 3.13Å | ||
| 1617 | L | 56.2 | Low | 55.4 | Low | 76 Ų | 76 | 90.8 Ų | 90.8 | 40% | 0.398 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -65.3 | -26.5 | -177.2 | -130.6 | 78.6 | 0 | 0 | 0 | 112.7 | W1615 S1638 I1651 | W1615-L1617 HydrophobicContact CH2-CD1 3.99Å; W1615-L1617 HydrophobicContact CZ2-CD1 4.05Å; L1617-S1638 WeakPolarHBondContact CD1-OG 3.45Å; L1617-I1651 HydrophobicContact CD1-CD1 4.26Å; L1617-I1651 HydrophobicContact CD2-CD1 4.29Å |
| 1618 | E | 54.1 | Low | 55.1 | Low | 182 Ų | 182 | 92.5 Ų | 92.5 | 85% | 0.85 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -88.4 | -21 | -165.3 | -65.2 | -175.8 | 164.2 | 0 | 0 | 115 | S1616 | S1616-E1618 PolarHBondContact O-N 3.13Š|
| 1619 | N | 47.6 | Very low | 55.5 | Low | 137 Ų | 137 | 90.9 Ų | 90.9 | 73% | 0.733 | 49% | 0.489 | S | S | * | . | trans | -102.7 | 28.3 | -165 | -76.3 | -13.5 | 0 | 0 | 0 | 116.3 | ||||
| 1620 | S | 45.8 | Very low | 56.2 | Low | 35 Ų | 35 | 90 Ų | 90 | 25% | 0.245 | 48% | 0.483 | C | S | . | . | trans | -104.3 | 16.2 | -156.7 | 57.3 | 0 | 0 | 0 | 0 | 118 | H1624 F1635 | S1620-H1624 PolarHBondContact O-CE1 3.18Å; S1620-H1624 PolarHBondContact O-NE2 3.07Å; S1620-F1635 WeakPolarHBondContact OG-CE2 3.41Å | ||
| 1621 | S | 48 | Very low | 57.3 | Low | 119 Ų | 119 | 85.9 Ų | 85.9 | 83% | 0.832 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -90.7 | 1.5 | -170.6 | 58.8 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1622 | S | 47.8 | Very low | 58.4 | Low | 100 Ų | 100 | 83.4 Ų | 83.4 | 70% | 0.699 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -139.6 | -0.5 | -170.6 | 62.5 | 0 | 0 | 0 | 0 | 121.4 | ||
| 1623 | N | 50.9 | Low | 59.7 | Low | 144 Ų | 144 | 83.7 Ų | 83.7 | 77% | 0.77 | 44% | 0.444 | S | S | * | . | trans | -144.1 | 51.8 | -178.9 | -94.9 | -22.5 | 0 | 0 | 0 | 115.7 | H1625 | N1623-H1625 PolarHBondContact O-N 3.04Š| ||
| 1624 | H | 48.8 | Very low | 61.2 | Low | 72 Ų | 72 | 81 Ų | 81 | 33% | 0.333 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -75.8 | -12.3 | -173.4 | -71 | -56 | 0 | 0 | 0 | 116.9 | S1620 N1626 R1632 F1635 | S1620-H1624 PolarHBondContact O-CE1 3.18Å; S1620-H1624 PolarHBondContact O-NE2 3.07Å; H1624-N1626 PolarHBondContact O-N 3.18Å; H1624-R1632 PolarHBondContact O-NE 3.07Å; H1624-R1632 PolarHBondContact O-NH2 3.41Å; H1624-F1635 AromaticContact CE1-CE1 3.57Å; H1624-F1635 AromaticContact CE1-CZ 3.72Å; H1624-F1635 AromaticContact NE2-CE1 3.87Å |
| 1625 | H | 53.2 | Low | 62.4 | Low | 174 Ų | 174 | 76.2 Ų | 76.2 | 81% | 0.806 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -72 | -23.6 | -171.3 | -82.9 | -42.2 | 0 | 0 | 0 | 114.9 | N1623 R1632 | N1623-H1625 PolarHBondContact O-N 3.04Å; H1625-R1632 PolarHBondContact O-NH2 2.9Å |
| 1626 | N | 54 | Low | 63.9 | Low | 162 Ų | 162 | 76.7 Ų | 76.7 | 87% | 0.866 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -105.5 | 7.9 | -175.2 | -72.2 | -1.8 | 0 | 0 | 0 | 115.4 | H1624 | H1624-N1626 PolarHBondContact O-N 3.18Š|
| 1627 | Q | 63 | Low | 65.3 | Low | 77 Ų | 77 | 74 Ų | 74 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -89.3 | 137.3 | 179.6 | -69.2 | -179.4 | -15 | 0 | 0 | 111.5 | ||
| 1628 | S | 73 | Confident | 66.6 | Low | 37 Ų | 37 | 70.5 Ų | 70.5 | 26% | 0.259 | 37% | 0.37 | S | S | . | . | trans | -59.2 | 151.6 | 179.8 | 83.1 | 0 | 0 | 0 | 0 | 111.8 | K1630 Y1631 R1632 | S1628-K1630 PolarHBondContact O-N 3.49Å; S1628-K1630 VanDerWaalsContact O-N 3.1Å; S1628-Y1631 WeakPolarHBondContact O-CB 3.46Å; S1628-Y1631 PolarHBondContact O-N 3.47Å; S1628-Y1631 VanDerWaalsContact OG-CD2 3.28Å; S1628-Y1631 WeakPolarHBondContact OG-CD2 3.46Å; S1628-R1632 PolarHBondContact O-N 3.04Å | ||
| 1629 | M | 72.6 | Confident | 68.1 | Low | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60 | -26.3 | -176.3 | -72.4 | -70.9 | -88.3 | 0 | 0 | 113 | I1572 D1574 L1580 Y1631 R1632 F1633 | I1572-M1629 HydrophobicContact CB-CB 4Å; I1572-M1629 HydrophobicContact CG2-CB 3.56Å; I1572-M1629 HydrophobicContact CG2-CE 4.43Å; I1572-M1629 HydrophobicContact CG2-CG 4.4Å; D1574-M1629 HydrophobicContact CB-CG 4.48Å; D1574-M1629 PolarHBondContact OD1-N 2.85Å; D1574-M1629 VanDerWaalsContact OD1-N 3.09Å; L1580-M1629 HydrophobicContact CB-CE 3.66Å; L1580-M1629 HydrophobicContact CD2-CE 3.42Å; L1580-M1629 VanDerWaalsContact CD2-CE 3.42Å; L1580-M1629 HydrophobicContact CD2-SD 3.85Å; L1580-M1629 HydrophobicContact CG-CE 4.1Å; M1629-Y1631 PolarHBondContact O-N 3.42Å; M1629-R1632 PolarHBondContact O-N 3Å; M1629-F1633 WeakPolarHBondContact O-CB 3.27Å; M1629-F1633 PolarHBondContact O-N 3.04Å |
| 1630 | K | 77.1 | Confident | 69.9 | Low | 37 Ų | 37 | 59 Ų | 59 | 16% | 0.161 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 171.3 | -69.4 | 174.9 | 178.8 | 171.8 | 0 | 112.4 | L1569 E1571 S1628 F1633 L1634 | L1569-K1630 HydrophobicContact CD2-CB 4.28Å; L1569-K1630 HydrophobicContact CD2-CD 4.03Å; L1569-K1630 HydrophobicContact CD2-CG 4.28Å; E1571-K1630 IonicContact OE1-NZ 2.67Å; E1571-K1630 PolarHBondContact OE1-NZ 3.37Å; S1628-K1630 PolarHBondContact O-N 3.49Å; S1628-K1630 VanDerWaalsContact O-N 3.1Å; K1630-F1633 PolarHBondContact O-N 3.16Å; K1630-L1634 PolarHBondContact O-N 2.76Å; K1630-L1634 VanDerWaalsContact O-N 3.16Å |
| 1631 | Y | 77.5 | Confident | 71.7 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69 | -44.4 | 174.4 | -78 | -84.3 | 0 | 0 | 0 | 112.5 | M1611 I1612 W1615 S1628 M1629 F1633 L1634 F1635 | M1611-Y1631 VanDerWaalsContact CA-OH 3.26Å; M1611-Y1631 WeakPolarHBondContact CA-OH 3.36Å; M1611-Y1631 HydrophobicContact CB-CE2 4.43Å; M1611-Y1631 WeakPolarHBondContact CB-OH 3.49Å; M1611-Y1631 PolarHBondContact O-OH 3.09Å; I1612-Y1631 HydrophobicContact CB-CE1 4.33Å; I1612-Y1631 HydrophobicContact CG1-CD1 4.35Å; I1612-Y1631 HydrophobicContact CG1-CE1 3.83Å; I1612-Y1631 HydrophobicContact CG1-CE2 4.18Å; I1612-Y1631 PolarHBondContact N-OH 3.43Å; I1612-Y1631 VanDerWaalsContact N-OH 3.07Å; W1615-Y1631 HydrophobicContact CB-CD1 4.48Å; W1615-Y1631 HydrophobicContact CB-CE1 4.16Å; S1628-Y1631 WeakPolarHBondContact O-CB 3.46Å; S1628-Y1631 PolarHBondContact O-N 3.47Å; S1628-Y1631 VanDerWaalsContact OG-CD2 3.28Å; S1628-Y1631 WeakPolarHBondContact OG-CD2 3.46Å; M1629-Y1631 PolarHBondContact O-N 3.42Å; Y1631-F1633 PolarHBondContact O-N 3.33Å; Y1631-L1634 PolarHBondContact O-N 3.32Å; Y1631-F1635 WeakPolarHBondContact O-CB 3.4Å; Y1631-F1635 PolarHBondContact O-N 3.15Å |
| 1632 | R | 79 | Confident | 73.3 | Confident | 73 Ų | 73 | 54.1 Ų | 54.1 | 28% | 0.275 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.9 | -40.3 | 177.3 | -70.4 | -175.7 | 176.8 | 162.3 | 5.3 | 110.3 | L1580 H1624 H1625 S1628 M1629 F1635 M1636 | L1580-R1632 HydrophobicContact CD2-CB 4.22Å; H1624-R1632 PolarHBondContact O-NE 3.07Å; H1624-R1632 PolarHBondContact O-NH2 3.41Å; H1625-R1632 PolarHBondContact O-NH2 2.9Å; S1628-R1632 PolarHBondContact O-N 3.04Å; M1629-R1632 PolarHBondContact O-N 3Å; R1632-F1635 PolarHBondContact O-N 3.28Å; R1632-M1636 VanDerWaalsContact O-CB 3.23Å; R1632-M1636 WeakPolarHBondContact O-CB 3.33Å; R1632-M1636 WeakPolarHBondContact O-CG 3.19Å; R1632-M1636 PolarHBondContact O-N 3.14Å |
| 1633 | F | 83.2 | Confident | 75 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 2% | 0.022 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -53.3 | 174.9 | -171.1 | -122.6 | 0 | 0 | 0 | 113.2 | W1548 P1570 I1572 L1580 A1583 I1605 M1629 K1630 Y1631 F1635 M1636 L1637 | W1548-F1633 HydrophobicContact CZ3-CE1 4.49Å; W1548-F1633 HydrophobicContact CZ3-CZ 4.18Å; P1570-F1633 HydrophobicContact CG-CD1 4.5Å; P1570-F1633 HydrophobicContact CG-CE1 4.27Å; I1572-F1633 HydrophobicContact CD1-CB 3.54Å; I1572-F1633 HydrophobicContact CD1-CD1 4.05Å; I1572-F1633 HydrophobicContact CD1-CD2 4.45Å; I1572-F1633 HydrophobicContact CD1-CG 3.76Å; L1580-F1633 HydrophobicContact CD1-CB 3.45Å; L1580-F1633 VanDerWaalsContact CD1-CB 3.45Å; L1580-F1633 HydrophobicContact CD1-CD2 3.52Å; L1580-F1633 HydrophobicContact CD1-CG 3.85Å; A1583-F1633 HydrophobicContact CB-CE2 3.8Å; A1583-F1633 HydrophobicContact CB-CZ 4.21Å; I1605-F1633 HydrophobicContact CD1-CE1 4.38Å; M1629-F1633 WeakPolarHBondContact O-CB 3.27Å; M1629-F1633 PolarHBondContact O-N 3.04Å; K1630-F1633 PolarHBondContact O-N 3.16Å; Y1631-F1633 PolarHBondContact O-N 3.33Å; F1633-F1635 VanDerWaalsContact C-N 3.27Å; F1633-F1635 PolarHBondContact O-N 3.43Å; F1633-M1636 PolarHBondContact O-N 2.97Å; F1633-L1637 HydrophobicContact CD1-CD1 4Å; F1633-L1637 HydrophobicContact CE1-CD1 3.58Å; F1633-L1637 HydrophobicContact CE1-CG 4.38Å; F1633-L1637 HydrophobicContact CE2-CD1 4.29Å; F1633-L1637 HydrophobicContact CE2-CD2 4.43Å; F1633-L1637 HydrophobicContact CE2-CG 4.25Å; F1633-L1637 HydrophobicContact CZ-CD1 3.74Å; F1633-L1637 HydrophobicContact CZ-CD2 4.36Å; F1633-L1637 HydrophobicContact CZ-CG 4.17Å; F1633-L1637 WeakPolarHBondContact O-CG 3.47Å; F1633-L1637 PolarHBondContact O-N 3.31Å |
| 1634 | L | 84.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 178.9 | -71.3 | 176.6 | 0 | 0 | 0 | 112.1 | L1569 I1605 I1612 W1615 K1630 Y1631 L1637 S1638 F1660 | L1569-L1634 HydrophobicContact CD1-CD1 4.24Å; L1569-L1634 HydrophobicContact CD1-CD2 4.14Å; L1569-L1634 HydrophobicContact CD1-CG 4.16Å; I1605-L1634 HydrophobicContact CD1-CD2 3.78Å; I1605-L1634 HydrophobicContact CG2-CD2 4.4Å; I1612-L1634 HydrophobicContact CD1-CD1 3.85Å; I1612-L1634 HydrophobicContact CG1-CD1 4.25Å; I1612-L1634 HydrophobicContact CG2-CD1 3.6Å; W1615-L1634 HydrophobicContact CH2-CB 4.15Å; W1615-L1634 WeakPolarHBondContact CH2-O 3.42Å; W1615-L1634 HydrophobicContact CZ3-CB 3.92Å; K1630-L1634 PolarHBondContact O-N 2.76Å; K1630-L1634 VanDerWaalsContact O-N 3.16Å; Y1631-L1634 PolarHBondContact O-N 3.32Å; L1634-L1637 PolarHBondContact O-N 3Å; L1634-S1638 WeakPolarHBondContact O-CB 3.14Å; L1634-S1638 PolarHBondContact O-N 2.92Å; L1634-F1660 HydrophobicContact CD2-CE2 4.18Å; L1634-F1660 HydrophobicContact CD2-CZ 4.21Å |
| 1635 | F | 81.8 | Confident | 77.8 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 175.3 | 179.4 | -108.9 | 0 | 0 | 0 | 112 | W1615 S1620 H1624 Y1631 R1632 F1633 L1637 S1638 N1639 | W1615-F1635 HydrophobicContact CZ2-CB 4.06Å; W1615-F1635 AromaticContact CZ2-CD2 3.96Å; W1615-F1635 HydrophobicContact CZ2-CD2 3.96Å; S1620-F1635 WeakPolarHBondContact OG-CE2 3.41Å; H1624-F1635 AromaticContact CE1-CE1 3.57Å; H1624-F1635 AromaticContact CE1-CZ 3.72Å; H1624-F1635 AromaticContact NE2-CE1 3.87Å; Y1631-F1635 WeakPolarHBondContact O-CB 3.4Å; Y1631-F1635 PolarHBondContact O-N 3.15Å; R1632-F1635 PolarHBondContact O-N 3.28Å; F1633-F1635 VanDerWaalsContact C-N 3.27Å; F1633-F1635 PolarHBondContact O-N 3.43Å; F1635-L1637 VanDerWaalsContact C-N 3.32Å; F1635-L1637 PolarHBondContact O-N 3.09Å; F1635-S1638 PolarHBondContact O-N 3.34Å; F1635-N1639 WeakPolarHBondContact CE1-ND2 3.39Å; F1635-N1639 WeakPolarHBondContact CZ-ND2 3.31Å; F1635-N1639 WeakPolarHBondContact O-CB 3.43Å; F1635-N1639 PolarHBondContact O-N 3.37Å |
| 1636 | M | 85.6 | Confident | 79.2 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.1 | -78.7 | 172.1 | 46.9 | 0 | 0 | 110.9 | L1580 F1584 R1632 F1633 N1639 L1640 | L1580-M1636 HydrophobicContact CD2-SD 3.83Å; L1580-M1636 HydrophobicContact CG-CE 4.34Å; L1580-M1636 HydrophobicContact CG-SD 4.21Å; F1584-M1636 HydrophobicContact CB-CE 3.41Å; F1584-M1636 VanDerWaalsContact CB-CE 3.41Å; F1584-M1636 HydrophobicContact CD1-CE 3.89Å; F1584-M1636 HydrophobicContact CD2-CB 3.71Å; F1584-M1636 HydrophobicContact CD2-CE 3.32Å; F1584-M1636 HydrophobicContact CE2-CB 3.7Å; F1584-M1636 HydrophobicContact CE2-CE 3.99Å; F1584-M1636 WeakPolarHBondContact CE2-O 3.48Å; F1584-M1636 HydrophobicContact CG-CE 3.23Å; R1632-M1636 VanDerWaalsContact O-CB 3.23Å; R1632-M1636 WeakPolarHBondContact O-CB 3.33Å; R1632-M1636 WeakPolarHBondContact O-CG 3.19Å; R1632-M1636 PolarHBondContact O-N 3.14Å; F1633-M1636 PolarHBondContact O-N 2.97Å; M1636-N1639 PolarHBondContact O-N 2.98Å; M1636-L1640 VanDerWaalsContact O-CB 3.29Å; M1636-L1640 WeakPolarHBondContact O-CB 3.46Å; M1636-L1640 PolarHBondContact O-N 3.49Å |
| 1637 | L | 87.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -49.1 | 175.1 | -72.9 | 177.7 | 0 | 0 | 0 | 111.8 | V1587 L1603 I1605 F1633 L1634 F1635 N1639 L1640 F1641 F1660 | V1587-L1637 HydrophobicContact CB-CD2 4.02Å; V1587-L1637 HydrophobicContact CG1-CD2 3.69Å; V1587-L1637 HydrophobicContact CG2-CD2 4.14Å; L1603-L1637 HydrophobicContact CD2-CD1 4.04Å; L1603-L1637 HydrophobicContact CD2-CD2 4.45Å; I1605-L1637 HydrophobicContact CD1-CD1 3.61Å; F1633-L1637 HydrophobicContact CD1-CD1 4Å; F1633-L1637 HydrophobicContact CE1-CD1 3.58Å; F1633-L1637 HydrophobicContact CE1-CG 4.38Å; F1633-L1637 HydrophobicContact CE2-CD1 4.29Å; F1633-L1637 HydrophobicContact CE2-CD2 4.43Å; F1633-L1637 HydrophobicContact CE2-CG 4.25Å; F1633-L1637 HydrophobicContact CZ-CD1 3.74Å; F1633-L1637 HydrophobicContact CZ-CD2 4.36Å; F1633-L1637 HydrophobicContact CZ-CG 4.17Å; F1633-L1637 WeakPolarHBondContact O-CG 3.47Å; F1633-L1637 PolarHBondContact O-N 3.31Å; L1634-L1637 PolarHBondContact O-N 3Å; F1635-L1637 VanDerWaalsContact C-N 3.32Å; F1635-L1637 PolarHBondContact O-N 3.09Å; L1637-N1639 VanDerWaalsContact C-N 3.3Å; L1637-N1639 PolarHBondContact O-N 3.19Å; L1637-L1640 WeakPolarHBondContact O-CB 3.42Å; L1637-L1640 PolarHBondContact O-N 2.69Å; L1637-L1640 VanDerWaalsContact O-N 3.14Å; L1637-F1641 VanDerWaalsContact O-CD2 3.31Å; L1637-F1641 WeakPolarHBondContact O-CD2 3.42Å; L1637-F1641 PolarHBondContact O-N 2.94Å; L1637-F1660 HydrophobicContact CB-CE1 4.12Å; L1637-F1660 HydrophobicContact CB-CE2 4.45Å; L1637-F1660 HydrophobicContact CB-CZ 3.97Å; L1637-F1660 HydrophobicContact CD1-CE2 4.35Å |
| 1638 | S | 84.5 | Confident | 80.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.4 | -48.2 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | L1617 L1634 F1635 L1640 N1642 I1651 | L1617-S1638 WeakPolarHBondContact CD1-OG 3.45Å; L1634-S1638 WeakPolarHBondContact O-CB 3.14Å; L1634-S1638 PolarHBondContact O-N 2.92Å; F1635-S1638 PolarHBondContact O-N 3.34Å; S1638-L1640 PolarHBondContact O-N 3.17Å; S1638-N1642 WeakPolarHBondContact O-CB 3.46Å; S1638-N1642 PolarHBondContact O-N 2.91Å; S1638-N1642 PolarHBondContact O-ND2 3.17Å; S1638-N1642 PolarHBondContact OG-ND2 3.04Å; S1638-N1642 VanDerWaalsContact OG-ND2 3.12Å; S1638-I1651 WeakPolarHBondContact OG-CD1 3.41Å |
| 1639 | N | 85 | Confident | 81.2 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.5 | -72 | -17.6 | 0 | 0 | 0 | 112.5 | F1635 M1636 L1637 N1642 K1643 | F1635-N1639 WeakPolarHBondContact CE1-ND2 3.39Å; F1635-N1639 WeakPolarHBondContact CZ-ND2 3.31Å; F1635-N1639 WeakPolarHBondContact O-CB 3.43Å; F1635-N1639 PolarHBondContact O-N 3.37Å; M1636-N1639 PolarHBondContact O-N 2.98Å; L1637-N1639 VanDerWaalsContact C-N 3.3Å; L1637-N1639 PolarHBondContact O-N 3.19Å; N1639-N1642 PolarHBondContact O-N 3.41Å; N1639-K1643 WeakPolarHBondContact O-CA 3.29Å; N1639-K1643 WeakPolarHBondContact O-CB 3.46Å; N1639-K1643 PolarHBondContact O-N 2.92Å |
| 1640 | L | 84.2 | Confident | 81.6 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -50.5 | 178.6 | 173.2 | 64.8 | 0 | 0 | 0 | 111.3 | F1584 V1587 E1588 L1591 M1636 L1637 S1638 R1644 | F1584-L1640 HydrophobicContact CD2-CD2 4.28Å; F1584-L1640 HydrophobicContact CE2-CB 3.61Å; F1584-L1640 HydrophobicContact CE2-CD2 3.69Å; F1584-L1640 HydrophobicContact CE2-CG 4.14Å; F1584-L1640 HydrophobicContact CZ-CB 3.76Å; F1584-L1640 HydrophobicContact CZ-CD1 3.94Å; F1584-L1640 HydrophobicContact CZ-CD2 3.88Å; F1584-L1640 HydrophobicContact CZ-CG 4.07Å; V1587-L1640 HydrophobicContact CG1-CD2 4.36Å; E1588-L1640 HydrophobicContact CB-CD1 4.1Å; E1588-L1640 HydrophobicContact CB-CD2 3.84Å; E1588-L1640 HydrophobicContact CG-CD1 3.85Å; E1588-L1640 HydrophobicContact CG-CD2 4.5Å; L1591-L1640 HydrophobicContact CD1-CD2 3.77Å; L1591-L1640 HydrophobicContact CD1-CG 4.01Å; M1636-L1640 VanDerWaalsContact O-CB 3.29Å; M1636-L1640 WeakPolarHBondContact O-CB 3.46Å; M1636-L1640 PolarHBondContact O-N 3.49Å; L1637-L1640 WeakPolarHBondContact O-CB 3.42Å; L1637-L1640 PolarHBondContact O-N 2.69Å; L1637-L1640 VanDerWaalsContact O-N 3.14Å; S1638-L1640 PolarHBondContact O-N 3.17Å; L1640-R1644 WeakPolarHBondContact O-CB 3.41Å; L1640-R1644 PolarHBondContact O-N 2.71Å |
| 1641 | F | 84.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -61.1 | 173.5 | -84.2 | -93.7 | 0 | 0 | 0 | 108 | V1587 L1591 L1603 L1637 K1643 R1644 F1645 I1649 F1660 I1662 | V1587-F1641 HydrophobicContact CG1-CE2 4.34Å; L1591-F1641 HydrophobicContact CD1-CD2 4.15Å; L1591-F1641 HydrophobicContact CD1-CE1 4.25Å; L1591-F1641 HydrophobicContact CD1-CE2 3.83Å; L1591-F1641 HydrophobicContact CD1-CZ 3.89Å; L1591-F1641 HydrophobicContact CD2-CD1 4.47Å; L1591-F1641 HydrophobicContact CD2-CE1 3.74Å; L1591-F1641 HydrophobicContact CD2-CZ 3.8Å; L1591-F1641 HydrophobicContact CG-CZ 4.36Å; L1603-F1641 HydrophobicContact CB-CZ 4.31Å; L1603-F1641 HydrophobicContact CD2-CE2 4.47Å; L1637-F1641 VanDerWaalsContact O-CD2 3.31Å; L1637-F1641 WeakPolarHBondContact O-CD2 3.42Å; L1637-F1641 PolarHBondContact O-N 2.94Å; F1641-K1643 VanDerWaalsContact C-N 3.34Å; F1641-K1643 PolarHBondContact O-N 3.01Å; F1641-R1644 WeakPolarHBondContact O-CA 3.44Å; F1641-R1644 WeakPolarHBondContact O-CB 3.23Å; F1641-R1644 PolarHBondContact O-N 3.07Å; F1641-F1645 HydrophobicContact CD1-CD2 4.48Å; F1641-F1645 PolarHBondContact O-N 3.48Å; F1641-I1649 HydrophobicContact CB-CD1 3.58Å; F1641-I1649 HydrophobicContact CB-CG1 4.24Å; F1641-I1649 HydrophobicContact CB-CG2 4.28Å; F1641-I1649 HydrophobicContact CD1-CD1 4.45Å; F1641-I1649 HydrophobicContact CD1-CG1 4.38Å; F1641-I1649 WeakPolarHBondContact O-CD1 3.46Å; F1641-F1660 HydrophobicContact CD1-CB 4.31Å; F1641-F1660 HydrophobicContact CD2-CB 4.19Å; F1641-F1660 HydrophobicContact CD2-CD1 4.15Å; F1641-F1660 HydrophobicContact CD2-CG 4.33Å; F1641-F1660 HydrophobicContact CE1-CB 4.14Å; F1641-F1660 HydrophobicContact CE2-CB 4.01Å; F1641-F1660 HydrophobicContact CE2-CG 4.33Å; F1641-F1660 HydrophobicContact CG-CB 4.34Å; F1641-F1660 HydrophobicContact CG-CD1 4.46Å; F1641-F1660 HydrophobicContact CZ-CB 3.98Å; F1641-I1662 HydrophobicContact CD1-CG1 4.26Å; F1641-I1662 HydrophobicContact CE1-CD1 4.4Å; F1641-I1662 HydrophobicContact CE1-CG1 4.15Å |
| 1642 | N | 82.1 | Confident | 81.8 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.5 | -43.7 | -174.3 | -74.6 | -32.6 | 0 | 0 | 0 | 113.3 | S1638 N1639 R1644 G1646 | S1638-N1642 WeakPolarHBondContact O-CB 3.46Å; S1638-N1642 PolarHBondContact O-N 2.91Å; S1638-N1642 PolarHBondContact O-ND2 3.17Å; S1638-N1642 PolarHBondContact OG-ND2 3.04Å; S1638-N1642 VanDerWaalsContact OG-ND2 3.12Å; N1639-N1642 PolarHBondContact O-N 3.41Å; N1642-R1644 PolarHBondContact O-N 2.7Å; N1642-G1646 WeakPolarHBondContact O-CA 3.49Å; N1642-G1646 PolarHBondContact O-N 3.46Å |
| 1643 | K | 82.5 | Confident | 81.3 | Confident | 195 Ų | 195 | 57 Ų | 57 | 85% | 0.848 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.7 | -33.2 | 177.7 | -176.9 | 179.1 | 179.2 | -175.9 | 0 | 111.8 | N1639 F1641 | N1639-K1643 WeakPolarHBondContact O-CA 3.29Å; N1639-K1643 WeakPolarHBondContact O-CB 3.46Å; N1639-K1643 PolarHBondContact O-N 2.92Å; F1641-K1643 VanDerWaalsContact C-N 3.34Å; F1641-K1643 PolarHBondContact O-N 3.01Å |
| 1644 | R | 78.7 | Confident | 80.6 | Confident | 76 Ų | 76 | 64.4 Ų | 64.4 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -89.2 | -43 | -171.1 | -170.1 | 176.9 | -171.1 | 126.9 | 33.9 | 113.6 | E1588 L1591 L1592 L1640 F1641 N1642 | E1588-R1644 PolarHBondContact O-NH1 3.39Å; L1591-R1644 VanDerWaalsContact C-CZ 3.46Å; L1591-R1644 VanDerWaalsContact C-NH1 3.35Å; L1591-R1644 VanDerWaalsContact CB-NH1 3.29Å; L1591-R1644 PolarHBondContact O-NE 2.94Å; L1592-R1644 VanDerWaalsContact CA-NH2 3.27Å; L1640-R1644 WeakPolarHBondContact O-CB 3.41Å; L1640-R1644 PolarHBondContact O-N 2.71Å; F1641-R1644 WeakPolarHBondContact O-CA 3.44Å; F1641-R1644 WeakPolarHBondContact O-CB 3.23Å; F1641-R1644 PolarHBondContact O-N 3.07Å; N1642-R1644 PolarHBondContact O-N 2.7Å |
| 1645 | F | 80.9 | Confident | 79.9 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -116.4 | -3.3 | -176.8 | -48.5 | -84.2 | 0 | 0 | 0 | 113.2 | L1591 F1641 K1647 M1648 I1649 I1662 | L1591-F1645 HydrophobicContact CD2-CE2 4.09Å; L1591-F1645 HydrophobicContact CD2-CZ 4.42Å; F1641-F1645 HydrophobicContact CD1-CD2 4.48Å; F1641-F1645 PolarHBondContact O-N 3.48Å; F1645-K1647 PolarHBondContact O-N 2.91Å; F1645-M1648 HydrophobicContact CB-CB 4.25Å; F1645-M1648 WeakPolarHBondContact O-CB 3.46Å; F1645-M1648 PolarHBondContact O-N 3.28Å; F1645-I1649 HydrophobicContact CB-CD1 3.56Å; F1645-I1649 HydrophobicContact CB-CG1 3.79Å; F1645-I1649 HydrophobicContact CD2-CD1 3.96Å; F1645-I1649 HydrophobicContact CD2-CG1 4.28Å; F1645-I1649 HydrophobicContact CG-CD1 4.26Å; F1645-I1649 HydrophobicContact CG-CG1 4.46Å; F1645-I1662 HydrophobicContact CD1-CD1 4.32Å; F1645-I1662 HydrophobicContact CD1-CG2 4.43Å; F1645-I1662 HydrophobicContact CD2-CD1 3.85Å; F1645-I1662 HydrophobicContact CD2-CG1 4.18Å; F1645-I1662 HydrophobicContact CE1-CD1 3.94Å; F1645-I1662 HydrophobicContact CE2-CD1 3.41Å; F1645-I1662 VanDerWaalsContact CE2-CD1 3.41Å; F1645-I1662 HydrophobicContact CE2-CG1 4.2Å; F1645-I1662 HydrophobicContact CG-CD1 4.29Å; F1645-I1662 HydrophobicContact CG-CG2 4.48Å; F1645-I1662 HydrophobicContact CZ-CD1 3.47Å; F1645-I1662 VanDerWaalsContact CZ-CD1 3.47Å |
| 1646 | G | 81.5 | Confident | 79.4 | Confident | 38 Ų | 38 | 74 Ų | 74 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | 56.3 | -123.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1642 M1648 I1649 | N1642-G1646 WeakPolarHBondContact O-CA 3.49Å; N1642-G1646 PolarHBondContact O-N 3.46Å; G1646-M1648 PolarHBondContact O-N 3.34Å; G1646-I1649 PolarHBondContact O-N 3.36Å |
| 1647 | K | 76.8 | Confident | 79 | Confident | 209 Ų | 209 | 76.2 Ų | 76.2 | 91% | 0.909 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -69.7 | -10.9 | -178.9 | -63.9 | -174.1 | 178.7 | -177 | 0 | 114.2 | F1645 I1649 | F1645-K1647 PolarHBondContact O-N 2.91Å; K1647-I1649 PolarHBondContact O-N 3.03Å |
| 1648 | M | 76.5 | Confident | 78.9 | Confident | 120 Ų | 120 | 76.2 Ų | 76.2 | 59% | 0.591 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -80.5 | 12.6 | 177.2 | -63.8 | -173.4 | 171.3 | 0 | 0 | 112.8 | F1645 G1646 I1662 L1663 | F1645-M1648 HydrophobicContact CB-CB 4.25Å; F1645-M1648 WeakPolarHBondContact O-CB 3.46Å; F1645-M1648 PolarHBondContact O-N 3.28Å; G1646-M1648 PolarHBondContact O-N 3.34Å; M1648-I1662 CarbonylContact O-C 3.59Å; M1648-I1662 WeakPolarHBondContact O-CA 3.44Å; M1648-L1663 WeakPolarHBondContact O-CB 3.39Å; M1648-L1663 PolarHBondContact O-N 2.85Å |
| 1649 | I | 79.2 | Confident | 79 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.9 | 176.1 | -68.3 | 145.2 | 0 | 0 | 0 | 110.3 | F1641 F1645 G1646 K1647 I1651 S1661 | F1641-I1649 HydrophobicContact CB-CD1 3.58Å; F1641-I1649 HydrophobicContact CB-CG1 4.24Å; F1641-I1649 HydrophobicContact CB-CG2 4.28Å; F1641-I1649 HydrophobicContact CD1-CD1 4.45Å; F1641-I1649 HydrophobicContact CD1-CG1 4.38Å; F1641-I1649 WeakPolarHBondContact O-CD1 3.46Å; F1645-I1649 HydrophobicContact CB-CD1 3.56Å; F1645-I1649 HydrophobicContact CB-CG1 3.79Å; F1645-I1649 HydrophobicContact CD2-CD1 3.96Å; F1645-I1649 HydrophobicContact CD2-CG1 4.28Å; F1645-I1649 HydrophobicContact CG-CD1 4.26Å; F1645-I1649 HydrophobicContact CG-CG1 4.46Å; G1646-I1649 PolarHBondContact O-N 3.36Å; K1647-I1649 PolarHBondContact O-N 3.03Å; I1649-I1651 HydrophobicContact CG2-CD1 4.31Å; I1649-I1651 HydrophobicContact CG2-CG1 3.6Å; I1649-S1661 WeakPolarHBondContact CA-O 3.46Å |
| 1650 | K | 81.1 | Confident | 79.1 | Confident | 115 Ų | 115 | 73.4 Ų | 73.4 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 108.7 | 166.3 | -165.4 | -172.4 | -174.9 | 174.5 | 0 | 108.3 | T1652 S1661 L1663 | K1650-T1652 HydrophobicContact CD-CG2 3.78Å; K1650-T1652 VanDerWaalsContact CE-CG2 3.49Å; K1650-T1652 HydrophobicContact CG-CG2 3.7Å; K1650-S1661 PolarHBondContact N-O 3.33Å; K1650-S1661 PolarHBondContact O-N 3.25Å; K1650-S1661 PolarHBondContact O-OG 3.43Å; K1650-L1663 HydrophobicContact CB-CD1 4.16Å; K1650-L1663 HydrophobicContact CB-CD2 4Å; K1650-L1663 HydrophobicContact CB-CG 3.96Å; K1650-L1663 HydrophobicContact CD-CD2 4.25Å |
| 1651 | I | 80.7 | Confident | 79.2 | Confident | 43 Ų | 43 | 73.9 Ų | 73.9 | 22% | 0.221 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 108.3 | 168.3 | -52.9 | -179.8 | 0 | 0 | 0 | 106.5 | L1617 S1638 I1649 V1658 T1659 F1660 | L1617-I1651 HydrophobicContact CD1-CD1 4.26Å; L1617-I1651 HydrophobicContact CD2-CD1 4.29Å; S1638-I1651 WeakPolarHBondContact OG-CD1 3.41Å; I1649-I1651 HydrophobicContact CG2-CD1 4.31Å; I1649-I1651 HydrophobicContact CG2-CG1 3.6Å; I1651-V1658 HydrophobicContact CG2-CG1 4.07Å; I1651-T1659 CarbonylContact C-O 3.43Å; I1651-T1659 VanDerWaalsContact CA-O 3.26Å; I1651-T1659 WeakPolarHBondContact CA-O 3.1Å; I1651-F1660 HydrophobicContact CB-CD1 4.48Å; I1651-F1660 HydrophobicContact CD1-CD1 3.66Å; I1651-F1660 HydrophobicContact CD1-CE1 3.74Å; I1651-F1660 HydrophobicContact CG1-CD1 3.74Å; I1651-F1660 HydrophobicContact CG1-CE1 4.21Å; I1651-F1660 HydrophobicContact CG2-CD1 4.02Å; I1651-F1660 HydrophobicContact CG2-CE1 3.98Å |
| 1652 | T | 77.2 | Confident | 79.1 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.3 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | K1650 T1659 | K1650-T1652 HydrophobicContact CD-CG2 3.78Å; K1650-T1652 VanDerWaalsContact CE-CG2 3.49Å; K1650-T1652 HydrophobicContact CG-CG2 3.7Å; T1652-T1659 PolarHBondContact N-O 3.03Å; T1652-T1659 PolarHBondContact O-N 2.95Å; T1652-T1659 WeakPolarHBondContact OG1-CB 3.45Å |
| 1653 | K | 70 | Confident | 78.4 | Confident | 68 Ų | 68 | 80.4 Ų | 80.4 | 30% | 0.296 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.9 | 179.4 | -167.8 | -179.5 | -173 | -170.1 | 0 | 108.4 | I1612 N1613 W1615 R1657 V1658 | I1612-K1653 WeakPolarHBondContact O-CE 3.3Å; I1612-K1653 PolarHBondContact O-NZ 2.88Å; N1613-K1653 VanDerWaalsContact CA-NZ 3.29Å; N1613-K1653 PolarHBondContact O-NZ 3.26Å; W1615-K1653 PolarHBondContact O-NZ 2.75Å; K1653-R1657 WeakPolarHBondContact CA-O 3.45Å; K1653-V1658 HydrophobicContact CG-CG2 4.28Å |
| 1654 | K | 68.1 | Low | 78.2 | Confident | 160 Ų | 160 | 74.7 Ų | 74.7 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 109.3 | 177.2 | -75.4 | -170 | 176.2 | -174.2 | 0 | 108.7 | F1656 R1657 | K1654-F1656 VanDerWaalsContact C-N 3.32Å; K1654-F1656 PolarHBondContact O-N 2.96Å; K1654-R1657 PolarHBondContact N-O 3.39Å; K1654-R1657 WeakPolarHBondContact O-CB 3.46Å; K1654-R1657 PolarHBondContact O-N 3.29Å |
| 1655 | N | 69.1 | Low | 78.2 | Confident | 125 Ų | 125 | 74.6 Ų | 74.6 | 67% | 0.668 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | -80.2 | 176.2 | -57.1 | -7.4 | 0 | 0 | 0 | 114.7 | N1613 | N1613-N1655 VanDerWaalsContact CG-O 3.24Å; N1613-N1655 PolarHBondContact ND2-O 2.95Å; N1613-N1655 PolarHBondContact OD1-O 2.61Å |
| 1656 | F | 71.6 | Confident | 78 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 16.2 | -173.5 | -63.7 | -63.7 | 0 | 0 | 0 | 111.3 | I1606 H1607 K1654 | I1606-F1656 CarbonylContact C-O 3.54Å; I1606-F1656 VanDerWaalsContact CA-O 3.26Å; I1606-F1656 WeakPolarHBondContact CA-O 3.37Å; H1607-F1656 PolarHBondContact CD2-O 3.33Å; H1607-F1656 PolarHBondContact N-O 3.17Å; H1607-F1656 WeakPolarHBondContact O-CA 3.33Å; H1607-F1656 WeakPolarHBondContact O-CB 3.43Å; H1607-F1656 WeakPolarHBondContact O-CD1 3.32Å; K1654-F1656 VanDerWaalsContact C-N 3.32Å; K1654-F1656 PolarHBondContact O-N 2.96Å |
| 1657 | R | 78 | Confident | 77.8 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 121.6 | -172.2 | -176.9 | 177.8 | 160.8 | 162.2 | -0.1 | 109.7 | E1602 I1604 I1605 I1606 K1653 K1654 T1659 | E1602-R1657 IonicContact OE1-NH2 3.27Å; I1604-R1657 HydrophobicContact CG2-CG 3.47Å; I1604-R1657 VanDerWaalsContact CG2-CG 3.47Å; I1605-R1657 WeakPolarHBondContact O-CA 3.44Å; I1606-R1657 HydrophobicContact CD1-CB 4.49Å; I1606-R1657 HydrophobicContact CD1-CG 4.39Å; K1653-R1657 WeakPolarHBondContact CA-O 3.45Å; K1654-R1657 PolarHBondContact N-O 3.39Å; K1654-R1657 WeakPolarHBondContact O-CB 3.46Å; K1654-R1657 PolarHBondContact O-N 3.29Å; R1657-T1659 PolarHBondContact NE-OG1 3.3Å |
| 1658 | V | 83.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.8 | 165.8 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | I1604 I1605 I1612 I1651 K1653 F1660 | I1604-V1658 WeakPolarHBondContact CA-O 3.41Å; I1605-V1658 PolarHBondContact N-O 3.48Å; I1605-V1658 PolarHBondContact O-N 2.92Å; I1612-V1658 HydrophobicContact CG2-CG2 4.44Å; I1651-V1658 HydrophobicContact CG2-CG1 4.07Å; K1653-V1658 HydrophobicContact CG-CG2 4.28Å; V1658-F1660 HydrophobicContact CB-CE2 4.28Å; V1658-F1660 HydrophobicContact CG1-CD2 4.12Å; V1658-F1660 HydrophobicContact CG1-CE1 4.43Å; V1658-F1660 HydrophobicContact CG1-CE2 3.45Å; V1658-F1660 VanDerWaalsContact CG1-CE2 3.45Å; V1658-F1660 HydrophobicContact CG1-CZ 3.63Å |
| 1659 | T | 86.8 | Confident | 78 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.8 | -179.7 | -52.5 | 0 | 0 | 0 | 0 | 108.7 | E1602 L1603 I1604 I1651 T1652 R1657 | E1602-T1659 HydrophobicContact CG-CG2 3.9Å; E1602-T1659 WeakPolarHBondContact OE1-CG2 3.45Å; L1603-T1659 CarbonylContact O-C 3.46Å; L1603-T1659 WeakPolarHBondContact O-CA 3.48Å; I1604-T1659 HydrophobicContact CG1-CG2 3.7Å; I1651-T1659 CarbonylContact C-O 3.43Å; I1651-T1659 VanDerWaalsContact CA-O 3.26Å; I1651-T1659 WeakPolarHBondContact CA-O 3.1Å; T1652-T1659 PolarHBondContact N-O 3.03Å; T1652-T1659 PolarHBondContact O-N 2.95Å; T1652-T1659 WeakPolarHBondContact OG1-CB 3.45Å; R1657-T1659 PolarHBondContact NE-OG1 3.3Å |
| 1660 | F | 88.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 106.9 | 170.1 | -57 | -95.4 | 0 | 0 | 0 | 107.4 | E1602 L1603 I1605 L1634 L1637 F1641 I1651 V1658 | E1602-F1660 CarbonylContact C-O 3.42Å; E1602-F1660 VanDerWaalsContact CA-O 3.27Å; E1602-F1660 WeakPolarHBondContact CA-O 3.35Å; L1603-F1660 HydrophobicContact CB-CB 4.35Å; L1603-F1660 HydrophobicContact CB-CD2 4.49Å; L1603-F1660 PolarHBondContact N-O 3.02Å; L1603-F1660 PolarHBondContact O-N 2.94Å; I1605-F1660 HydrophobicContact CD1-CE2 4.09Å; L1634-F1660 HydrophobicContact CD2-CE2 4.18Å; L1634-F1660 HydrophobicContact CD2-CZ 4.21Å; L1637-F1660 HydrophobicContact CB-CE1 4.12Å; L1637-F1660 HydrophobicContact CB-CE2 4.45Å; L1637-F1660 HydrophobicContact CB-CZ 3.97Å; L1637-F1660 HydrophobicContact CD1-CE2 4.35Å; F1641-F1660 HydrophobicContact CD1-CB 4.31Å; F1641-F1660 HydrophobicContact CD2-CB 4.19Å; F1641-F1660 HydrophobicContact CD2-CD1 4.15Å; F1641-F1660 HydrophobicContact CD2-CG 4.33Å; F1641-F1660 HydrophobicContact CE1-CB 4.14Å; F1641-F1660 HydrophobicContact CE2-CB 4.01Å; F1641-F1660 HydrophobicContact CE2-CG 4.33Å; F1641-F1660 HydrophobicContact CG-CB 4.34Å; F1641-F1660 HydrophobicContact CG-CD1 4.46Å; F1641-F1660 HydrophobicContact CZ-CB 3.98Å; I1651-F1660 HydrophobicContact CB-CD1 4.48Å; I1651-F1660 HydrophobicContact CD1-CD1 3.66Å; I1651-F1660 HydrophobicContact CD1-CE1 3.74Å; I1651-F1660 HydrophobicContact CG1-CD1 3.74Å; I1651-F1660 HydrophobicContact CG1-CE1 4.21Å; I1651-F1660 HydrophobicContact CG2-CD1 4.02Å; I1651-F1660 HydrophobicContact CG2-CE1 3.98Å; V1658-F1660 HydrophobicContact CB-CE2 4.28Å; V1658-F1660 HydrophobicContact CG1-CD2 4.12Å; V1658-F1660 HydrophobicContact CG1-CE1 4.43Å; V1658-F1660 HydrophobicContact CG1-CE2 3.45Å; V1658-F1660 VanDerWaalsContact CG1-CE2 3.45Å; V1658-F1660 HydrophobicContact CG1-CZ 3.63Å |
| 1661 | S | 86.1 | Confident | 77.7 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | Q1601 I1649 K1650 | Q1601-S1661 CarbonylContact O-C 3.54Å; Q1601-S1661 WeakPolarHBondContact O-CA 3.44Å; I1649-S1661 WeakPolarHBondContact CA-O 3.46Å; K1650-S1661 PolarHBondContact N-O 3.33Å; K1650-S1661 PolarHBondContact O-N 3.25Å; K1650-S1661 PolarHBondContact O-OG 3.43Å |
| 1662 | I | 82.3 | Confident | 77.4 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 21% | 0.21 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.7 | 168 | -53 | 177.1 | 0 | 0 | 0 | 107.1 | L1591 L1600 Q1601 F1641 F1645 M1648 | L1591-I1662 HydrophobicContact CD2-CD1 4.35Å; L1600-I1662 VanDerWaalsContact O-CD1 3.29Å; L1600-I1662 WeakPolarHBondContact O-CD1 3.47Å; Q1601-I1662 PolarHBondContact O-N 3.36Å; F1641-I1662 HydrophobicContact CD1-CG1 4.26Å; F1641-I1662 HydrophobicContact CE1-CD1 4.4Å; F1641-I1662 HydrophobicContact CE1-CG1 4.15Å; F1645-I1662 HydrophobicContact CD1-CD1 4.32Å; F1645-I1662 HydrophobicContact CD1-CG2 4.43Å; F1645-I1662 HydrophobicContact CD2-CD1 3.85Å; F1645-I1662 HydrophobicContact CD2-CG1 4.18Å; F1645-I1662 HydrophobicContact CE1-CD1 3.94Å; F1645-I1662 HydrophobicContact CE2-CD1 3.41Å; F1645-I1662 VanDerWaalsContact CE2-CD1 3.41Å; F1645-I1662 HydrophobicContact CE2-CG1 4.2Å; F1645-I1662 HydrophobicContact CG-CD1 4.29Å; F1645-I1662 HydrophobicContact CG-CG2 4.48Å; F1645-I1662 HydrophobicContact CZ-CD1 3.47Å; F1645-I1662 VanDerWaalsContact CZ-CD1 3.47Å; M1648-I1662 CarbonylContact O-C 3.59Å; M1648-I1662 WeakPolarHBondContact O-CA 3.44Å |
| 1663 | L | 67.4 | Low | 77.4 | Confident | 147 Ų | 147 | 70.4 Ų | 70.4 | 77% | 0.77 | 33% | 0.334 | S | S | * | . | trans | -73.5 | 0 | 170.9 | -64.8 | 170.8 | 0 | 0 | 0 | 109.8 | M1648 K1650 | M1648-L1663 WeakPolarHBondContact O-CB 3.39Å; M1648-L1663 PolarHBondContact O-N 2.85Å; K1650-L1663 HydrophobicContact CB-CD1 4.16Å; K1650-L1663 HydrophobicContact CB-CD2 4Å; K1650-L1663 HydrophobicContact CB-CG 3.96Å; K1650-L1663 HydrophobicContact CD-CD2 4.25Å |
Retrieved 1,663 of 1,663 residues in 613.9 ms
(Link to these results)