| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.8 | Very low | 46.2 | Very low | 212 Ų | 212 | 120.5 Ų | 120.5 | 100% | 1.044 | 65% | 0.654 | S | S | * | * | 0 | -11.8 | 0 | -131.3 | 170.3 | -170.4 | 0 | 0 | 114.1 | |||||
| 2 | Y | 42.6 | Very low | 46.3 | Very low | 212 Ų | 212 | 115.3 Ų | 115.3 | 83% | 0.831 | 64% | 0.639 | S | S | * | * | trans | -74.6 | -34 | 179.1 | -82 | -90 | 0 | 0 | 0 | 117.3 | V4 | Y2-V4 VanDerWaalsContact C-N 3.32Å; Y2-V4 PolarHBondContact O-N 2.78Å | ||
| 3 | P | 49.6 | Very low | 46.2 | Very low | 93 Ų | 93 | 113.2 Ų | 113.2 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.2 | -9 | -175.6 | 28.9 | -32.1 | 0 | 0 | 0 | 114.8 | T7 | P3-T7 PolarHBondContact O-OG1 2.86Å; P3-T7 VanDerWaalsContact O-OG1 3.05Å |
| 4 | V | 48.6 | Very low | 45.6 | Very low | 106 Ų | 106 | 110.8 Ų | 110.8 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -89.9 | -23.2 | 179.6 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | Y2 T7 A8 | Y2-V4 VanDerWaalsContact C-N 3.32Å; Y2-V4 PolarHBondContact O-N 2.78Å; V4-T7 PolarHBondContact O-OG1 3.36Å; V4-A8 PolarHBondContact O-N 3.31Å |
| 5 | C | 44 | Very low | 45.4 | Very low | 91 Ų | 91 | 113.6 Ų | 113.6 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.8 | -38.5 | 173.5 | -87.4 | 0 | 0 | 0 | 0 | 112 | A8 F9 | C5-A8 PolarHBondContact O-N 3.31Å; C5-F9 VanDerWaalsContact O-CB 3.31Å; C5-F9 WeakPolarHBondContact O-CB 3.44Å; C5-F9 PolarHBondContact O-N 3.11Å |
| 6 | E | 43.2 | Very low | 45.1 | Very low | 149 Ų | 149 | 119.8 Ų | 119.8 | 70% | 0.696 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.2 | -35.9 | 178.9 | -85.8 | -178.1 | 150.3 | 0 | 0 | 113.1 | F9 S10 | E6-F9 PolarHBondContact O-N 3.36Å; E6-S10 WeakPolarHBondContact O-CB 3.49Å; E6-S10 PolarHBondContact O-N 3.33Å |
| 7 | T | 47.3 | Very low | 44.5 | Very low | 85 Ų | 85 | 121.8 Ų | 121.8 | 52% | 0.521 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.9 | -39.3 | 175.9 | 36.1 | 0 | 0 | 0 | 0 | 111.8 | P3 V4 V11 | P3-T7 PolarHBondContact O-OG1 2.86Å; P3-T7 VanDerWaalsContact O-OG1 3.05Å; V4-T7 PolarHBondContact O-OG1 3.36Å; T7-V11 WeakPolarHBondContact O-CB 3.15Å; T7-V11 WeakPolarHBondContact O-CG2 3.2Å; T7-V11 PolarHBondContact O-N 3.46Å |
| 8 | A | 48.9 | Very low | 44.1 | Very low | 62 Ų | 62 | 124.2 Ų | 124.2 | 51% | 0.512 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.1 | -36.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | V4 C5 A12 | V4-A8 PolarHBondContact O-N 3.31Å; C5-A8 PolarHBondContact O-N 3.31Å; A8-A12 WeakPolarHBondContact O-CB 3.41Å; A8-A12 PolarHBondContact O-N 2.83Å |
| 9 | F | 45.7 | Very low | 44.2 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 67% | 0.667 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.5 | -40.3 | 176.1 | -134.4 | -102.9 | 0 | 0 | 0 | 111.5 | C5 E6 A12 L13 | C5-F9 VanDerWaalsContact O-CB 3.31Å; C5-F9 WeakPolarHBondContact O-CB 3.44Å; C5-F9 PolarHBondContact O-N 3.11Å; E6-F9 PolarHBondContact O-N 3.36Å; F9-A12 PolarHBondContact O-N 2.91Å; F9-L13 HydrophobicContact CD1-CD1 3.57Å; F9-L13 HydrophobicContact CE1-CD1 4.02Å; F9-L13 VanDerWaalsContact O-CB 3.31Å; F9-L13 WeakPolarHBondContact O-CB 3.44Å; F9-L13 WeakPolarHBondContact O-CD1 3.28Å; F9-L13 PolarHBondContact O-N 3.24Å |
| 10 | S | 44.4 | Very low | 44.4 | Very low | 78 Ų | 78 | 127 Ų | 127 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -70.8 | -35.2 | 177.4 | -163.7 | 0 | 0 | 0 | 0 | 112.1 | E6 C14 | E6-S10 WeakPolarHBondContact O-CB 3.49Å; E6-S10 PolarHBondContact O-N 3.33Å; S10-C14 WeakPolarHBondContact O-CB 3.27Å; S10-C14 PolarHBondContact O-N 3.21Å |
| 11 | V | 50 | Low | 45.1 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 52% | 0.515 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -69.8 | -38.9 | 172 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | T7 C14 F15 | T7-V11 WeakPolarHBondContact O-CB 3.15Å; T7-V11 WeakPolarHBondContact O-CG2 3.2Å; T7-V11 PolarHBondContact O-N 3.46Å; V11-C14 PolarHBondContact O-N 2.85Å; V11-F15 HydrophobicContact CG1-CD2 4.02Å; V11-F15 HydrophobicContact CG1-CE2 4.33Å; V11-F15 WeakPolarHBondContact O-CB 3.39Å; V11-F15 WeakPolarHBondContact O-CD2 3.39Å; V11-F15 PolarHBondContact O-N 3.18Å |
| 12 | A | 47 | Very low | 46.5 | Very low | 58 Ų | 58 | 118.5 Ų | 118.5 | 48% | 0.479 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.5 | -33.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A8 F9 R16 | A8-A12 WeakPolarHBondContact O-CB 3.41Å; A8-A12 PolarHBondContact O-N 2.83Å; F9-A12 PolarHBondContact O-N 2.91Å; A12-R16 WeakPolarHBondContact O-CB 3.22Å; A12-R16 PolarHBondContact O-N 3.31Å |
| 13 | L | 44.9 | Very low | 48.1 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 47% | 0.466 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.4 | -38.9 | 172.9 | -97.9 | 139.7 | 0 | 0 | 0 | 112.2 | F9 R16 Q17 | F9-L13 HydrophobicContact CD1-CD1 3.57Å; F9-L13 HydrophobicContact CE1-CD1 4.02Å; F9-L13 VanDerWaalsContact O-CB 3.31Å; F9-L13 WeakPolarHBondContact O-CB 3.44Å; F9-L13 WeakPolarHBondContact O-CD1 3.28Å; F9-L13 PolarHBondContact O-N 3.24Å; L13-R16 PolarHBondContact O-N 3.16Å; L13-Q17 PolarHBondContact O-N 3.13Å; L13-Q17 VanDerWaalsContact O-N 3.11Å |
| 14 | C | 38.2 | Very low | 49.8 | Very low | 79 Ų | 79 | 117.3 Ų | 117.3 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.9 | -37.6 | 175.8 | -155.3 | 0 | 0 | 0 | 0 | 111.4 | S10 V11 Q17 | S10-C14 WeakPolarHBondContact O-CB 3.27Å; S10-C14 PolarHBondContact O-N 3.21Å; V11-C14 PolarHBondContact O-N 2.85Å; C14-Q17 PolarHBondContact O-N 2.96Å |
| 15 | F | 42.5 | Very low | 51.8 | Low | 153 Ų | 153 | 112.4 Ų | 112.4 | 67% | 0.671 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.8 | -28.4 | 170.5 | -97.2 | -84.4 | 0 | 0 | 0 | 113.6 | V11 Q17 | V11-F15 HydrophobicContact CG1-CD2 4.02Å; V11-F15 HydrophobicContact CG1-CE2 4.33Å; V11-F15 WeakPolarHBondContact O-CB 3.39Å; V11-F15 WeakPolarHBondContact O-CD2 3.39Å; V11-F15 PolarHBondContact O-N 3.18Å; F15-Q17 VanDerWaalsContact C-N 3.32Å |
| 16 | R | 40.7 | Very low | 54 | Low | 213 Ų | 213 | 112.6 Ų | 112.6 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.3 | -21.5 | 174.6 | -115.8 | 178.6 | 171.5 | -178.4 | -4 | 113.4 | A12 L13 | A12-R16 WeakPolarHBondContact O-CB 3.22Å; A12-R16 PolarHBondContact O-N 3.31Å; L13-R16 PolarHBondContact O-N 3.16Å |
| 17 | Q | 35 | Very low | 56.4 | Low | 154 Ų | 154 | 105.5 Ų | 105.5 | 72% | 0.72 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -86.6 | -10.4 | 179.9 | -80.2 | 179.7 | -22.4 | 0 | 0 | 114.1 | L13 C14 F15 | L13-Q17 PolarHBondContact O-N 3.13Å; L13-Q17 VanDerWaalsContact O-N 3.11Å; C14-Q17 PolarHBondContact O-N 2.96Å; F15-Q17 VanDerWaalsContact C-N 3.32Å |
| 18 | M | 37.3 | Very low | 58.5 | Low | 164 Ų | 164 | 105.8 Ų | 105.8 | 81% | 0.808 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -88.8 | -8 | 176.6 | -84.1 | -171.9 | 167.1 | 0 | 0 | 115.2 | T20 | M18-T20 PolarHBondContact O-N 2.91Š|
| 19 | F | 46 | Very low | 60.5 | Low | 172 Ų | 172 | 103 Ų | 103 | 75% | 0.754 | 52% | 0.516 | S | S | * | . | trans | -95.2 | 88.8 | 170.7 | -83.8 | -86.2 | 0 | 0 | 0 | 109.7 | A21 | F19-A21 PolarHBondContact O-N 2.83Š| ||
| 20 | T | 48 | Very low | 62.3 | Low | 133 Ų | 133 | 98.6 Ų | 98.6 | 82% | 0.816 | 50% | 0.499 | S | S | * | . | trans | -58.3 | 126.6 | 162.8 | 43.6 | 0 | 0 | 0 | 0 | 108.1 | M18 E22 | M18-T20 PolarHBondContact O-N 2.91Å; T20-E22 PolarHBondContact O-N 3.36Å | ||
| 21 | A | 60.3 | Low | 64.3 | Low | 89 Ų | 89 | 97.6 Ų | 97.6 | 74% | 0.736 | 49% | 0.488 | S | S | * | . | trans | -56.8 | 122.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | F19 K23 | F19-A21 PolarHBondContact O-N 2.83Å; A21-K23 PolarHBondContact O-N 2.91Å | ||
| 22 | E | 71.3 | Confident | 65.9 | Low | 72 Ų | 72 | 98.1 Ų | 98.1 | 34% | 0.336 | 48% | 0.483 | S | S | . | . | trans | -54.3 | 111.2 | 178.1 | -174.5 | 179 | -171.6 | 0 | 0 | 108.9 | T20 E24 R25 P215 P216 | T20-E22 PolarHBondContact O-N 3.36Å; E22-E24 WeakPolarHBondContact CG-O 3.45Å; E22-R25 WeakPolarHBondContact OE1-CA 3.43Å; E22-R25 WeakPolarHBondContact OE1-CB 3.41Å; E22-R25 WeakPolarHBondContact OE1-CG 3.41Å; E22-R25 IonicContact OE1-CZ 2.74Å; E22-R25 IonicContact OE1-NE 3.25Å; E22-R25 PolarHBondContact OE1-NE 3.46Å; E22-R25 IonicContact OE1-NH2 3.48Å; E22-R25 PolarHBondContact OE1-NH2 3.39Å; E22-R25 IonicContact OE2-CZ 2.94Å; E22-R25 IonicContact OE2-NE 3.08Å; E22-R25 IonicContact OE2-NH2 3.89Å; E22-R25 PolarHBondContact OE2-NH2 3.23Å; E22-P215 HydrophobicContact CB-CB 4.48Å; E22-P215 HydrophobicContact CG-CB 4.4Å; E22-P215 WeakPolarHBondContact O-CB 3.21Å; E22-P216 WeakPolarHBondContact OE2-CD 3.23Å | ||
| 23 | K | 76.8 | Confident | 67.8 | Low | 197 Ų | 197 | 103.5 Ų | 103.5 | 86% | 0.857 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -81.6 | -31.8 | 178.7 | -69.5 | -172.8 | 178.6 | -178.6 | 0 | 112.2 | A21 | A21-K23 PolarHBondContact O-N 2.91Š|
| 24 | E | 85.3 | Confident | 69.9 | Low | 82 Ų | 82 | 100.5 Ų | 100.5 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -154.6 | 149.1 | 178.3 | 56.8 | 175.6 | -168.2 | 0 | 0 | 109.5 | E22 R26 | E22-E24 WeakPolarHBondContact CG-O 3.45Å; E24-R26 IonicContact OE1-CZ 3.64Å; E24-R26 IonicContact OE1-NE 2.8Å; E24-R26 PolarHBondContact OE1-NE 3.18Å; E24-R26 IonicContact OE1-NH2 3.83Å; E24-R26 PolarHBondContact OE1-NH2 2.79Å |
| 25 | R | 90.2 | Very high | 72.3 | Confident | 4 Ų | 4 | 97.2 Ų | 97.2 | 2% | 0.015 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131.5 | 176.4 | -176.9 | 157.9 | -65.6 | -158.6 | -0.6 | 110.6 | E22 L27 Y40 V212 C213 D264 | E22-R25 WeakPolarHBondContact OE1-CA 3.43Å; E22-R25 WeakPolarHBondContact OE1-CB 3.41Å; E22-R25 WeakPolarHBondContact OE1-CG 3.41Å; E22-R25 IonicContact OE1-CZ 2.74Å; E22-R25 IonicContact OE1-NE 3.25Å; E22-R25 PolarHBondContact OE1-NE 3.46Å; E22-R25 IonicContact OE1-NH2 3.48Å; E22-R25 PolarHBondContact OE1-NH2 3.39Å; E22-R25 IonicContact OE2-CZ 2.94Å; E22-R25 IonicContact OE2-NE 3.08Å; E22-R25 IonicContact OE2-NH2 3.89Å; E22-R25 PolarHBondContact OE2-NH2 3.23Å; R25-L27 HydrophobicContact CG-CD2 4.42Å; R25-Y40 HydrophobicContact CG-CE1 3.77Å; R25-V212 WeakPolarHBondContact O-CA 2.83Å; R25-C213 PolarHBondContact N-O 3.36Å; R25-C213 PolarHBondContact O-N 3.19Å; R25-D264 IonicContact CZ-OD2 3.06Å; R25-D264 VanDerWaalsContact CZ-OD2 3.25Å; R25-D264 IonicContact NH1-OD2 3.32Å; R25-D264 PolarHBondContact NH1-OD2 3.42Å; R25-D264 IonicContact NH2-OD2 2.74Å; R25-D264 PolarHBondContact NH2-OD2 2.84Å |
| 26 | R | 91.9 | Very high | 74.4 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 36% | 0.355 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.7 | -178.8 | -63.6 | -172.6 | 177.6 | -164.4 | 0.8 | 112 | E24 Y38 Y40 V212 | E24-R26 IonicContact OE1-CZ 3.64Å; E24-R26 IonicContact OE1-NE 2.8Å; E24-R26 PolarHBondContact OE1-NE 3.18Å; E24-R26 IonicContact OE1-NH2 3.83Å; E24-R26 PolarHBondContact OE1-NH2 2.79Å; R26-Y38 HydrophobicContact CB-CE1 4.41Å; R26-Y38 WeakPolarHBondContact O-CE2 3.32Å; R26-Y40 VanDerWaalsContact C-OH 3.29Å; R26-Y40 PolarHBondContact N-OH 3.27Å; R26-Y40 VanDerWaalsContact N-OH 3.14Å; R26-Y40 PolarHBondContact O-OH 3.18Å; R26-V212 HydrophobicContact CG-CG1 4.25Å; R26-V212 HydrophobicContact CG-CG2 4.23Å |
| 27 | L | 93.3 | Very high | 76.6 | Confident | 0 Ų | 0 | 91.4 Ų | 91.4 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151.9 | 179.4 | 67.3 | 106.2 | 0 | 0 | 0 | 111.9 | R25 N35 Y40 V144 E210 I211 V257 I259 | R25-L27 HydrophobicContact CG-CD2 4.42Å; L27-N35 WeakPolarHBondContact CA-OD1 3.36Å; L27-Y40 HydrophobicContact CB-CE2 4.45Å; L27-V144 HydrophobicContact CB-CG1 3.88Å; L27-V144 HydrophobicContact CD1-CG1 4.36Å; L27-V144 HydrophobicContact CD2-CG1 3.79Å; L27-V144 HydrophobicContact CG-CG1 4.21Å; L27-E210 WeakPolarHBondContact O-CA 3.45Å; L27-I211 HydrophobicContact CD1-CB 4.18Å; L27-I211 HydrophobicContact CD1-CD1 3.9Å; L27-I211 HydrophobicContact CG-CB 4.04Å; L27-I211 PolarHBondContact N-O 3.31Å; L27-I211 PolarHBondContact O-N 2.96Å; L27-V257 HydrophobicContact CD1-CG1 4.27Å; L27-I259 HydrophobicContact CD2-CB 4.46Å; L27-I259 HydrophobicContact CD2-CG2 4.04Å |
| 28 | R | 91.8 | Very high | 79 | Confident | 92 Ų | 92 | 88.5 Ų | 88.5 | 35% | 0.347 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | 173.7 | -75.3 | -179.1 | 179.1 | 177.3 | 0.8 | 110 | N31 F34 N35 E210 | R28-N31 HydrophobicContact CB-CB 3.89Å; R28-F34 HydrophobicContact CB-CD1 3.78Å; R28-F34 HydrophobicContact CB-CE1 4.27Å; R28-F34 HydrophobicContact CB-CG 4.33Å; R28-F34 HydrophobicContact CG-CD1 3.63Å; R28-F34 HydrophobicContact CG-CE1 3.68Å; R28-F34 HydrophobicContact CG-CG 4.18Å; R28-F34 HydrophobicContact CG-CZ 4.26Å; R28-N35 PolarHBondContact N-OD1 3.11Å; R28-N35 PolarHBondContact O-ND2 2.89Å; R28-N35 PolarHBondContact O-OD1 2.88Å; R28-E210 HydrophobicContact CG-CB 3.99Å; R28-E210 HydrophobicContact CG-CG 3.99Å; R28-E210 IonicContact CZ-OE2 3.25Å; R28-E210 IonicContact NE-OE2 3.6Å; R28-E210 PolarHBondContact NE-OE2 2.85Å; R28-E210 IonicContact NH2-OE2 2.71Å; R28-E210 PolarHBondContact NH2-OE2 3.34Å |
| 29 | A | 89 | Confident | 81.4 | Confident | 3 Ų | 3 | 87.5 Ų | 87.5 | 3% | 0.025 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 140.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | N31 F207 G209 V257 | A29-N31 PolarHBondContact O-N 3.22Å; A29-F207 HydrophobicContact CB-CD1 3.44Å; A29-F207 VanDerWaalsContact CB-CD1 3.44Å; A29-F207 HydrophobicContact CB-CE1 3.66Å; A29-G209 PolarHBondContact N-O 3.35Å; A29-V257 HydrophobicContact CB-CG1 4.1Å; A29-V257 HydrophobicContact CB-CG2 4.37Å |
| 30 | N | 84.6 | Confident | 83.4 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 32% | 0.316 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 14 | 180 | -63.8 | -41.8 | 0 | 0 | 0 | 115.9 | G145 I147 I204 G205 F207 | N30-G145 PolarHBondContact N-O 2.95Å; N30-I147 WeakPolarHBondContact ND2-CD1 3.26Å; N30-I204 PolarHBondContact ND2-O 3.38Å; N30-G205 PolarHBondContact ND2-O 2.97Å; N30-G205 VanDerWaalsContact ND2-O 3.12Å; N30-F207 PolarHBondContact ND2-O 3.19Å |
| 31 | N | 86.6 | Confident | 85.3 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | trans | -117.7 | 86.6 | 179.7 | -167.2 | -26.4 | 0 | 0 | 0 | 112 | R28 A29 F33 F34 N35 | R28-N31 HydrophobicContact CB-CB 3.89Å; A29-N31 PolarHBondContact O-N 3.22Å; N31-F33 PolarHBondContact O-N 3.3Å; N31-F33 PolarHBondContact OD1-N 2.9Å; N31-F34 HydrophobicContact CB-CB 4.13Å; N31-F34 VanDerWaalsContact CG-CB 3.5Å; N31-F34 PolarHBondContact O-N 3.26Å; N31-F34 WeakPolarHBondContact OD1-CB 3.27Å; N31-F34 PolarHBondContact OD1-N 3.03Å; N31-N35 VanDerWaalsContact O-CG 3.3Å; N31-N35 PolarHBondContact O-N 3.03Å; N31-N35 PolarHBondContact O-ND2 3.03Å | ||
| 32 | K | 83.9 | Confident | 86.7 | Confident | 95 Ų | 95 | 81.1 Ų | 81.1 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | -179.7 | -175.5 | 168.8 | 173.5 | 163.1 | 0 | 112.9 | F34 N35 E36 Q143 | K32-F34 VanDerWaalsContact C-N 3.29Å; K32-F34 PolarHBondContact O-N 2.96Å; K32-N35 PolarHBondContact O-N 3.29Å; K32-E36 WeakPolarHBondContact CE-OE1 3.45Å; K32-E36 HydrophobicContact CG-CG 4.24Å; K32-E36 IonicContact NZ-OE1 3.48Å; K32-E36 WeakPolarHBondContact O-CG 3.41Å; K32-E36 PolarHBondContact O-N 3.39Å; K32-Q143 VanDerWaalsContact NZ-OE1 3.08Å |
| 33 | F | 85.5 | Confident | 87.7 | Confident | 171 Ų | 171 | 77.7 Ų | 77.7 | 75% | 0.75 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.9 | -32.8 | -179.1 | -68.1 | -73.2 | 0 | 0 | 0 | 113.4 | N31 Q37 | N31-F33 PolarHBondContact O-N 3.3Å; N31-F33 PolarHBondContact OD1-N 2.9Å; F33-Q37 WeakPolarHBondContact O-CG 3.42Å; F33-Q37 PolarHBondContact O-NE2 2.89Å |
| 34 | F | 89 | Confident | 88.3 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.3 | -44.8 | 175 | -178.2 | -94.9 | 0 | 0 | 0 | 111.4 | R28 N31 K32 E36 Q37 Y38 | R28-F34 HydrophobicContact CB-CD1 3.78Å; R28-F34 HydrophobicContact CB-CE1 4.27Å; R28-F34 HydrophobicContact CB-CG 4.33Å; R28-F34 HydrophobicContact CG-CD1 3.63Å; R28-F34 HydrophobicContact CG-CE1 3.68Å; R28-F34 HydrophobicContact CG-CG 4.18Å; R28-F34 HydrophobicContact CG-CZ 4.26Å; N31-F34 HydrophobicContact CB-CB 4.13Å; N31-F34 VanDerWaalsContact CG-CB 3.5Å; N31-F34 PolarHBondContact O-N 3.26Å; N31-F34 WeakPolarHBondContact OD1-CB 3.27Å; N31-F34 PolarHBondContact OD1-N 3.03Å; K32-F34 VanDerWaalsContact C-N 3.29Å; K32-F34 PolarHBondContact O-N 2.96Å; F34-E36 PolarHBondContact O-N 3.09Å; F34-Q37 WeakPolarHBondContact O-CB 3.44Å; F34-Q37 PolarHBondContact O-N 3.44Å; F34-Y38 HydrophobicContact CD1-CE2 4.16Å; F34-Y38 AromaticContact CE1-CE2 3.73Å; F34-Y38 HydrophobicContact CE1-CE2 3.73Å; F34-Y38 HydrophobicContact CZ-CE2 4Å; F34-Y38 WeakPolarHBondContact CZ-OH 3.28Å |
| 35 | N | 89.7 | Confident | 88.2 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.5 | -29.3 | -175.7 | -62 | -22.4 | 0 | 0 | 0 | 112.9 | L27 R28 N31 K32 Q37 Y38 V144 | L27-N35 WeakPolarHBondContact CA-OD1 3.36Å; R28-N35 PolarHBondContact N-OD1 3.11Å; R28-N35 PolarHBondContact O-ND2 2.89Å; R28-N35 PolarHBondContact O-OD1 2.88Å; N31-N35 VanDerWaalsContact O-CG 3.3Å; N31-N35 PolarHBondContact O-N 3.03Å; N31-N35 PolarHBondContact O-ND2 3.03Å; K32-N35 PolarHBondContact O-N 3.29Å; N35-Q37 PolarHBondContact O-N 2.92Å; N35-Y38 PolarHBondContact O-N 3.48Å; N35-V144 PolarHBondContact ND2-O 3Å |
| 36 | E | 85.5 | Confident | 87.7 | Confident | 104 Ų | 104 | 73.2 Ų | 73.2 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -64.9 | -19.4 | 176.8 | -78.5 | 179.5 | 169.1 | 0 | 0 | 113.6 | K32 F34 Y38 D39 | K32-E36 WeakPolarHBondContact CE-OE1 3.45Å; K32-E36 HydrophobicContact CG-CG 4.24Å; K32-E36 IonicContact NZ-OE1 3.48Å; K32-E36 WeakPolarHBondContact O-CG 3.41Å; K32-E36 PolarHBondContact O-N 3.39Å; F34-E36 PolarHBondContact O-N 3.09Å; E36-Y38 PolarHBondContact O-N 3.31Å; E36-D39 PolarHBondContact O-N 3.49Å |
| 37 | Q | 87.6 | Confident | 86.7 | Confident | 141 Ų | 141 | 72.2 Ų | 72.2 | 66% | 0.659 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -68.2 | -20.3 | 179.7 | -60.5 | 173.4 | 18.8 | 0 | 0 | 113.5 | F33 F34 N35 | F33-Q37 WeakPolarHBondContact O-CG 3.42Å; F33-Q37 PolarHBondContact O-NE2 2.89Å; F34-Q37 WeakPolarHBondContact O-CB 3.44Å; F34-Q37 PolarHBondContact O-N 3.44Å; N35-Q37 PolarHBondContact O-N 2.92Å |
| 38 | Y | 86.3 | Confident | 85.9 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -100.9 | 0.5 | -176.1 | -59 | -83.3 | 0 | 0 | 0 | 113.6 | R26 F34 N35 E36 Y40 | R26-Y38 HydrophobicContact CB-CE1 4.41Å; R26-Y38 WeakPolarHBondContact O-CE2 3.32Å; F34-Y38 HydrophobicContact CD1-CE2 4.16Å; F34-Y38 AromaticContact CE1-CE2 3.73Å; F34-Y38 HydrophobicContact CE1-CE2 3.73Å; F34-Y38 HydrophobicContact CZ-CE2 4Å; F34-Y38 WeakPolarHBondContact CZ-OH 3.28Å; N35-Y38 PolarHBondContact O-N 3.48Å; E36-Y38 PolarHBondContact O-N 3.31Å; Y38-Y40 VanDerWaalsContact C-N 3.31Å; Y38-Y40 AromaticContact CD2-CE2 3.94Å; Y38-Y40 HydrophobicContact CD2-CE2 3.94Å; Y38-Y40 AromaticContact CD2-CZ 3.98Å; Y38-Y40 HydrophobicContact CG-CE1 4.4Å; Y38-Y40 HydrophobicContact CG-CE2 4.05Å; Y38-Y40 AromaticContact CG-CZ 3.72Å; Y38-Y40 PolarHBondContact O-N 3.02Å |
| 39 | D | 86.1 | Confident | 85.1 | Confident | 144 Ų | 144 | 72.6 Ų | 72.6 | 77% | 0.77 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 47.5 | -179.1 | -161.8 | 28.9 | 0 | 0 | 0 | 114.3 | E36 | E36-D39 PolarHBondContact O-N 3.49Š|
| 40 | Y | 89.4 | Confident | 84.8 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 150.3 | 179.2 | -65 | -51.1 | 0 | 0 | 0 | 113.1 | R25 R26 L27 Y38 R42 V144 | R25-Y40 HydrophobicContact CG-CE1 3.77Å; R26-Y40 VanDerWaalsContact C-OH 3.29Å; R26-Y40 PolarHBondContact N-OH 3.27Å; R26-Y40 VanDerWaalsContact N-OH 3.14Å; R26-Y40 PolarHBondContact O-OH 3.18Å; L27-Y40 HydrophobicContact CB-CE2 4.45Å; Y38-Y40 VanDerWaalsContact C-N 3.31Å; Y38-Y40 AromaticContact CD2-CE2 3.94Å; Y38-Y40 HydrophobicContact CD2-CE2 3.94Å; Y38-Y40 AromaticContact CD2-CZ 3.98Å; Y38-Y40 HydrophobicContact CG-CE1 4.4Å; Y38-Y40 HydrophobicContact CG-CE2 4.05Å; Y38-Y40 AromaticContact CG-CZ 3.72Å; Y38-Y40 PolarHBondContact O-N 3.02Å; Y40-R42 PolarHBondContact O-N 3.16Å; Y40-V144 HydrophobicContact CD2-CB 3.91Å; Y40-V144 HydrophobicContact CD2-CG1 3.85Å; Y40-V144 HydrophobicContact CD2-CG2 4.21Å; Y40-V144 HydrophobicContact CE2-CG1 4.13Å; Y40-V144 HydrophobicContact CG-CB 4.37Å; Y40-V144 HydrophobicContact CG-CG1 4.47Å; Y40-V144 HydrophobicContact CG-CG2 4.16Å |
| 41 | A | 86.6 | Confident | 84.8 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 24% | 0.24 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 131.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A261 | A41-A261 WeakPolarHBondContact O-CB 3.46Š|
| 42 | R | 90.9 | Very high | 84.7 | Confident | 201 Ų | 201 | 78.2 Ų | 78.2 | 76% | 0.758 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 152.6 | 171.7 | -62.4 | -176.2 | -176.9 | 178.3 | 0.6 | 110.4 | Y40 F44 G262 | Y40-R42 PolarHBondContact O-N 3.16Å; R42-F44 PolarHBondContact O-N 3.14Å; R42-G262 WeakPolarHBondContact O-CA 3.38Å |
| 43 | N | 91.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -74.2 | 9.3 | -179.8 | -157.2 | 34.2 | 0 | 0 | 0 | 115.3 | W139 V142 A157 R244 A261 G262 | N43-W139 WeakPolarHBondContact CB-O 3.08Å; N43-W139 PolarHBondContact ND2-O 3.35Å; N43-V142 HydrophobicContact CB-CB 4.37Å; N43-V142 VanDerWaalsContact CB-O 3.22Å; N43-V142 WeakPolarHBondContact CB-O 3.49Å; N43-A157 PolarHBondContact ND2-O 2.72Å; N43-R244 PolarHBondContact OD1-NH1 2.75Å; N43-A261 HydrophobicContact CB-CB 4.08Å; N43-G262 PolarHBondContact OD1-N 2.81Å |
| 44 | F | 89.3 | Confident | 85 | Confident | 92 Ų | 92 | 76.9 Ų | 76.9 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | trans | -76 | 122.4 | 177.9 | -179.5 | -100.3 | 0 | 0 | 0 | 111.3 | R42 R46 N122 Q140 | R42-F44 PolarHBondContact O-N 3.14Å; F44-R46 HydrophobicContact CD1-CB 4.44Å; F44-R46 HydrophobicContact CE1-CB 3.87Å; F44-N122 HydrophobicContact CD2-CB 4.36Å; F44-N122 WeakPolarHBondContact CD2-ND2 3.35Å; F44-N122 HydrophobicContact CE2-CB 4.5Å; F44-N122 WeakPolarHBondContact CE2-ND2 2.89Å; F44-Q140 HydrophobicContact CD2-CB 4.3Å | ||
| 45 | I | 83 | Confident | 85.1 | Confident | 15 Ų | 15 | 77.8 Ų | 77.8 | 8% | 0.077 | 37% | 0.368 | C | S | . | . | trans | -96 | 138 | 174 | -67.1 | -174 | 0 | 0 | 0 | 110.1 | T47 V121 N122 M268 | I45-T47 HydrophobicContact CG2-CG2 4.18Å; I45-V121 HydrophobicContact CD1-CG1 4.32Å; I45-N122 PolarHBondContact N-OD1 2.92Å; I45-N122 PolarHBondContact O-ND2 3.32Å; I45-M268 HydrophobicContact CD1-CE 4.32Å; I45-M268 HydrophobicContact CD1-CG 4.1Å; I45-M268 HydrophobicContact CD1-SD 3.56Å; I45-M268 VanDerWaalsContact CD1-SD 3.56Å; I45-M268 HydrophobicContact CG1-SD 4.3Å; I45-M268 HydrophobicContact CG2-CE 4.11Å | ||
| 46 | R | 79.4 | Confident | 85 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | trans | -136.9 | 115.4 | 172.7 | -176 | -176.7 | 167.4 | 178.5 | 3 | 110.6 | F44 S48 Y50 N51 D118 | F44-R46 HydrophobicContact CD1-CB 4.44Å; F44-R46 HydrophobicContact CE1-CB 3.87Å; R46-S48 VanDerWaalsContact CG-OG 3.31Å; R46-S48 WeakPolarHBondContact CG-OG 2.91Å; R46-S48 PolarHBondContact NE-O 2.93Å; R46-S48 PolarHBondContact NE-OG 2.72Å; R46-Y50 PolarHBondContact NH2-O 3.08Å; R46-N51 PolarHBondContact NH1-ND2 3.45Å; R46-N51 PolarHBondContact NH1-OD1 2.9Å; R46-N51 VanDerWaalsContact NH2-CG 3.33Å; R46-N51 PolarHBondContact NH2-OD1 2.72Å; R46-D118 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 47 | T | 72.7 | Confident | 85.3 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | trans | -103.8 | -14.3 | 172.8 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | I45 D118 | I45-T47 HydrophobicContact CG2-CG2 4.18Å; T47-D118 WeakPolarHBondContact CB-OD1 3.33Å; T47-D118 WeakPolarHBondContact CG2-OD1 3.32Å; T47-D118 PolarHBondContact N-OD1 2.97Å; T47-D118 PolarHBondContact N-OD2 3.3Å; T47-D118 VanDerWaalsContact OG1-CG 3.27Å; T47-D118 PolarHBondContact OG1-OD1 3.28Å; T47-D118 PolarHBondContact OG1-OD2 3.05Å | ||
| 48 | S | 76.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 78.6 Ų | 78.6 | 7% | 0.07 | 38% | 0.38 | C | S | . | . | trans | -64.4 | 138.9 | 174.6 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | R46 D111 H115 D118 | R46-S48 VanDerWaalsContact CG-OG 3.31Å; R46-S48 WeakPolarHBondContact CG-OG 2.91Å; R46-S48 PolarHBondContact NE-O 2.93Å; R46-S48 PolarHBondContact NE-OG 2.72Å; S48-D111 VanDerWaalsContact CA-OD1 3.3Å; S48-D111 WeakPolarHBondContact CA-OD1 3.29Å; S48-D111 WeakPolarHBondContact CB-OD1 3.24Å; S48-H115 WeakPolarHBondContact CB-CE1 3.33Å; S48-H115 VanDerWaalsContact CB-NE2 3.27Å; S48-H115 WeakPolarHBondContact CB-NE2 3.18Å; S48-H115 PolarHBondContact OG-CE1 2.72Å; S48-H115 PolarHBondContact OG-ND1 3.31Å; S48-H115 PolarHBondContact OG-NE2 3.22Å; S48-D118 PolarHBondContact N-OD2 3.08Å | ||
| 49 | K | 74.9 | Confident | 85.4 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -84 | -29.4 | -176.1 | -138 | -169.9 | -175 | -161.6 | 0 | 112.1 | K58 E62 D111 | K49-K58 PolarHBondContact O-NZ 3.49Å; K49-E62 WeakPolarHBondContact CE-OE1 3.43Å; K49-E62 IonicContact NZ-OE1 3.02Å; K49-E62 PolarHBondContact NZ-OE1 3.42Å; K49-E62 IonicContact NZ-OE2 3.5Å; K49-E62 PolarHBondContact NZ-OE2 3.2Å; K49-D111 PolarHBondContact N-OD1 2.94Å |
| 50 | Y | 81.6 | Confident | 85.5 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 4% | 0.039 | 34% | 0.34 | C | S | . | . | trans | -119.8 | 152.2 | -174.3 | -47.1 | -72.5 | 0 | 0 | 0 | 111.3 | R46 F55 K58 N59 E62 D107 D111 H115 | R46-Y50 PolarHBondContact NH2-O 3.08Å; Y50-F55 HydrophobicContact CD1-CD2 4.43Å; Y50-F55 AromaticContact CD2-CD2 3.83Å; Y50-F55 HydrophobicContact CD2-CD2 3.83Å; Y50-F55 HydrophobicContact CD2-CE2 4.28Å; Y50-F55 HydrophobicContact CE2-CD2 4.45Å; Y50-F55 AromaticContact CG-CD2 3.83Å; Y50-F55 HydrophobicContact CG-CD2 3.83Å; Y50-K58 HydrophobicContact CD1-CB 4.12Å; Y50-K58 HydrophobicContact CD1-CD 4Å; Y50-K58 HydrophobicContact CD1-CG 4.27Å; Y50-K58 HydrophobicContact CE1-CB 4.15Å; Y50-K58 HydrophobicContact CE1-CD 4.07Å; Y50-K58 HydrophobicContact CE1-CG 4.03Å; Y50-N59 HydrophobicContact CE1-CB 4.25Å; Y50-E62 PolarHBondContact OH-OE2 2.85Å; Y50-D107 HydrophobicContact CE2-CB 4.42Å; Y50-D111 WeakPolarHBondContact CB-OD2 3.27Å; Y50-D111 HydrophobicContact CD2-CB 3.91Å; Y50-D111 PolarHBondContact N-OD2 2.89Å; Y50-H115 PolarHBondContact O-NE2 2.87Å; Y50-H115 VanDerWaalsContact O-NE2 3.17Å | ||
| 51 | N | 84.7 | Confident | 85.5 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | trans | -104.7 | 165.4 | 159.9 | -80.8 | -9.5 | 0 | 0 | 0 | 107.7 | R46 F53 T54 F55 | R46-N51 PolarHBondContact NH1-ND2 3.45Å; R46-N51 PolarHBondContact NH1-OD1 2.9Å; R46-N51 VanDerWaalsContact NH2-CG 3.33Å; R46-N51 PolarHBondContact NH2-OD1 2.72Å; N51-F53 PolarHBondContact O-N 2.95Å; N51-F53 VanDerWaalsContact O-N 3.12Å; N51-T54 HydrophobicContact CB-CG2 4.46Å; N51-T54 PolarHBondContact N-OG1 2.98Å; N51-T54 PolarHBondContact O-N 2.7Å; N51-F55 WeakPolarHBondContact O-CB 3.15Å; N51-F55 PolarHBondContact O-N 3.34Å | ||
| 52 | L | 84.5 | Confident | 85.2 | Confident | 158 Ų | 158 | 76 Ų | 76 | 83% | 0.827 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -43.4 | 176.2 | -169.9 | 68.7 | 0 | 0 | 0 | 112.6 | ||
| 53 | F | 87.8 | Confident | 84.9 | Confident | 181 Ų | 181 | 66.4 Ų | 66.4 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -29.7 | 178.7 | -58.9 | -71.7 | 0 | 0 | 0 | 114.6 | N51 P57 | N51-F53 PolarHBondContact O-N 2.95Å; N51-F53 VanDerWaalsContact O-N 3.12Å; F53-P57 WeakPolarHBondContact O-CD 3.25Å |
| 54 | T | 89 | Confident | 84.7 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -8.7 | -177 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | N51 K58 | N51-T54 HydrophobicContact CB-CG2 4.46Å; N51-T54 PolarHBondContact N-OG1 2.98Å; N51-T54 PolarHBondContact O-N 2.7Å; T54-K58 WeakPolarHBondContact O-CB 3.34Å; T54-K58 PolarHBondContact O-N 3.41Å; T54-K58 VanDerWaalsContact O-N 3.16Å |
| 55 | F | 89.7 | Confident | 84.3 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.4 | -63 | 179.6 | 175 | -102.4 | 0 | 0 | 0 | 110.6 | Y50 N51 N59 A104 A108 | Y50-F55 HydrophobicContact CD1-CD2 4.43Å; Y50-F55 AromaticContact CD2-CD2 3.83Å; Y50-F55 HydrophobicContact CD2-CD2 3.83Å; Y50-F55 HydrophobicContact CD2-CE2 4.28Å; Y50-F55 HydrophobicContact CE2-CD2 4.45Å; Y50-F55 AromaticContact CG-CD2 3.83Å; Y50-F55 HydrophobicContact CG-CD2 3.83Å; N51-F55 WeakPolarHBondContact O-CB 3.15Å; N51-F55 PolarHBondContact O-N 3.34Å; F55-N59 HydrophobicContact CE2-CB 4.37Å; F55-N59 WeakPolarHBondContact O-CA 3.41Å; F55-N59 WeakPolarHBondContact O-CB 3.3Å; F55-N59 PolarHBondContact O-N 3.04Å; F55-A104 HydrophobicContact CZ-CB 4.18Å; F55-A104 WeakPolarHBondContact CZ-O 3.17Å; F55-A108 HydrophobicContact CE1-CB 4.47Å; F55-A108 HydrophobicContact CE2-CB 3.81Å; F55-A108 HydrophobicContact CZ-CB 3.67Å |
| 56 | L | 89.4 | Confident | 84 | Confident | 109 Ų | 109 | 74.3 Ų | 74.3 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.5 | -54.7 | -175.6 | -171.1 | 69.5 | 0 | 0 | 0 | 114 | K58 N59 L60 | L56-K58 PolarHBondContact O-N 3.23Å; L56-N59 PolarHBondContact O-N 3.45Å; L56-L60 HydrophobicContact CD1-CD1 3.84Å; L56-L60 HydrophobicContact CD1-CG 4.21Å; L56-L60 HydrophobicContact CG-CD1 3.92Å; L56-L60 WeakPolarHBondContact O-CB 3.43Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 3.31Å |
| 57 | P | 91.3 | Very high | 83.9 | Confident | 79 Ų | 79 | 75 Ų | 75 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | -175.4 | 25.1 | -34.5 | 0 | 0 | 0 | 112.8 | F53 F61 | F53-P57 WeakPolarHBondContact O-CD 3.25Å; P57-F61 VanDerWaalsContact O-CB 3.28Å; P57-F61 WeakPolarHBondContact O-CB 3.37Å; P57-F61 PolarHBondContact O-N 3.02Å |
| 58 | K | 87.6 | Confident | 84.2 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -74 | -38.5 | -179.7 | -169.6 | 178.3 | 173.4 | -176 | 0 | 111.4 | K49 Y50 T54 L56 E62 | K49-K58 PolarHBondContact O-NZ 3.49Å; Y50-K58 HydrophobicContact CD1-CB 4.12Å; Y50-K58 HydrophobicContact CD1-CD 4Å; Y50-K58 HydrophobicContact CD1-CG 4.27Å; Y50-K58 HydrophobicContact CE1-CB 4.15Å; Y50-K58 HydrophobicContact CE1-CD 4.07Å; Y50-K58 HydrophobicContact CE1-CG 4.03Å; T54-K58 WeakPolarHBondContact O-CB 3.34Å; T54-K58 PolarHBondContact O-N 3.41Å; T54-K58 VanDerWaalsContact O-N 3.16Å; L56-K58 PolarHBondContact O-N 3.23Å; K58-E62 WeakPolarHBondContact CE-OE1 3.46Å; K58-E62 WeakPolarHBondContact O-CB 3.4Å; K58-E62 VanDerWaalsContact O-CG 3.27Å; K58-E62 WeakPolarHBondContact O-CG 3.47Å; K58-E62 PolarHBondContact O-N 2.93Å |
| 59 | N | 87.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65 | -48.9 | 177.1 | -175.3 | -95.7 | 0 | 0 | 0 | 110.8 | Y50 F55 L56 F61 E62 Q63 D107 | Y50-N59 HydrophobicContact CE1-CB 4.25Å; F55-N59 HydrophobicContact CE2-CB 4.37Å; F55-N59 WeakPolarHBondContact O-CA 3.41Å; F55-N59 WeakPolarHBondContact O-CB 3.3Å; F55-N59 PolarHBondContact O-N 3.04Å; L56-N59 PolarHBondContact O-N 3.45Å; N59-F61 VanDerWaalsContact C-N 3.35Å; N59-F61 PolarHBondContact O-N 3.49Å; N59-E62 PolarHBondContact O-N 2.81Å; N59-Q63 WeakPolarHBondContact O-CB 3.31Å; N59-Q63 VanDerWaalsContact O-CG 3.3Å; N59-Q63 WeakPolarHBondContact O-CG 3.37Å; N59-Q63 PolarHBondContact O-N 3.03Å; N59-Q63 PolarHBondContact OD1-NE2 3.09Å; N59-D107 WeakPolarHBondContact ND2-CB 3.43Å; N59-D107 PolarHBondContact ND2-OD2 2.7Å |
| 60 | L | 88.1 | Confident | 85 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176 | -73 | 173.2 | 0 | 0 | 0 | 112.1 | L56 E62 Q63 F64 | L56-L60 HydrophobicContact CD1-CD1 3.84Å; L56-L60 HydrophobicContact CD1-CG 4.21Å; L56-L60 HydrophobicContact CG-CD1 3.92Å; L56-L60 WeakPolarHBondContact O-CB 3.43Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 3.31Å; L60-E62 PolarHBondContact O-N 2.81Å; L60-Q63 PolarHBondContact O-N 3.4Å; L60-F64 HydrophobicContact CB-CD2 4.45Å; L60-F64 HydrophobicContact CB-CE2 4.45Å; L60-F64 HydrophobicContact CD2-CE2 4.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.39Å; L60-F64 PolarHBondContact O-N 3.44Å |
| 61 | F | 88.5 | Confident | 85.2 | Confident | 134 Ų | 134 | 73.6 Ų | 73.6 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 175.9 | -176.3 | -104.1 | 0 | 0 | 0 | 112 | P57 N59 Q63 F64 Q65 | P57-F61 VanDerWaalsContact O-CB 3.28Å; P57-F61 WeakPolarHBondContact O-CB 3.37Å; P57-F61 PolarHBondContact O-N 3.02Å; N59-F61 VanDerWaalsContact C-N 3.35Å; N59-F61 PolarHBondContact O-N 3.49Å; F61-Q63 VanDerWaalsContact C-N 3.32Å; F61-Q63 PolarHBondContact O-N 2.92Å; F61-F64 PolarHBondContact O-N 3.19Å; F61-Q65 WeakPolarHBondContact O-CG 3.46Å; F61-Q65 PolarHBondContact O-N 3.48Å; F61-Q65 VanDerWaalsContact O-N 3.14Å |
| 62 | E | 81.5 | Confident | 85.2 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 175.6 | -74.2 | 179.3 | 180 | 0 | 0 | 112.3 | K49 Y50 K58 N59 L60 | K49-E62 WeakPolarHBondContact CE-OE1 3.43Å; K49-E62 IonicContact NZ-OE1 3.02Å; K49-E62 PolarHBondContact NZ-OE1 3.42Å; K49-E62 IonicContact NZ-OE2 3.5Å; K49-E62 PolarHBondContact NZ-OE2 3.2Å; Y50-E62 PolarHBondContact OH-OE2 2.85Å; K58-E62 WeakPolarHBondContact CE-OE1 3.46Å; K58-E62 WeakPolarHBondContact O-CB 3.4Å; K58-E62 VanDerWaalsContact O-CG 3.27Å; K58-E62 WeakPolarHBondContact O-CG 3.47Å; K58-E62 PolarHBondContact O-N 2.93Å; N59-E62 PolarHBondContact O-N 2.81Å; L60-E62 PolarHBondContact O-N 2.81Å |
| 63 | Q | 85.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 176.9 | -72.3 | -163.3 | 44.1 | 0 | 0 | 112.5 | N59 L60 F61 Q65 R66 N69 L100 T103 | N59-Q63 WeakPolarHBondContact O-CB 3.31Å; N59-Q63 VanDerWaalsContact O-CG 3.3Å; N59-Q63 WeakPolarHBondContact O-CG 3.37Å; N59-Q63 PolarHBondContact O-N 3.03Å; N59-Q63 PolarHBondContact OD1-NE2 3.09Å; L60-Q63 PolarHBondContact O-N 3.4Å; F61-Q63 VanDerWaalsContact C-N 3.32Å; F61-Q63 PolarHBondContact O-N 2.92Å; Q63-Q65 VanDerWaalsContact C-N 3.3Å; Q63-Q65 PolarHBondContact O-N 3.14Å; Q63-R66 VanDerWaalsContact O-CB 3.31Å; Q63-R66 WeakPolarHBondContact O-CB 3.18Å; Q63-R66 WeakPolarHBondContact O-CG 3.32Å; Q63-R66 PolarHBondContact O-N 2.88Å; Q63-N69 WeakPolarHBondContact O-CB 3.48Å; Q63-N69 PolarHBondContact O-ND2 3.43Å; Q63-L100 HydrophobicContact CB-CD2 4.18Å; Q63-L100 PolarHBondContact NE2-O 2.93Å; Q63-T103 HydrophobicContact CG-CG2 4.03Å |
| 64 | F | 85.5 | Confident | 85.3 | Confident | 56 Ų | 56 | 60.1 Ų | 60.1 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76.8 | -11.9 | 178.1 | -74.1 | -57.7 | 0 | 0 | 0 | 114.1 | L60 F61 R66 N69 L73 L100 | L60-F64 HydrophobicContact CB-CD2 4.45Å; L60-F64 HydrophobicContact CB-CE2 4.45Å; L60-F64 HydrophobicContact CD2-CE2 4.28Å; L60-F64 WeakPolarHBondContact O-CD2 3.39Å; L60-F64 PolarHBondContact O-N 3.44Å; F61-F64 PolarHBondContact O-N 3.19Å; F64-R66 PolarHBondContact O-N 2.91Å; F64-N69 HydrophobicContact CD1-CB 4.09Å; F64-L73 HydrophobicContact CD1-CB 4.28Å; F64-L73 HydrophobicContact CD1-CD2 3.99Å; F64-L73 HydrophobicContact CE1-CB 3.99Å; F64-L73 HydrophobicContact CE1-CD1 4.01Å; F64-L73 HydrophobicContact CE1-CD2 4.06Å; F64-L73 HydrophobicContact CE1-CG 4.25Å; F64-L73 HydrophobicContact CG-CD2 4.42Å; F64-L73 HydrophobicContact CZ-CD1 4.1Å; F64-L100 HydrophobicContact CE1-CD1 4.26Å; F64-L100 HydrophobicContact CE1-CD2 4.47Å; F64-L100 HydrophobicContact CZ-CD1 3.78Å; F64-L100 HydrophobicContact CZ-CD2 4.49Å |
| 65 | Q | 81.8 | Confident | 85.2 | Confident | 123 Ų | 123 | 57.5 Ų | 57.5 | 58% | 0.575 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.1 | 165.3 | -76.1 | 179.2 | -12.3 | 0 | 0 | 113 | F61 Q63 | F61-Q65 WeakPolarHBondContact O-CG 3.46Å; F61-Q65 PolarHBondContact O-N 3.48Å; F61-Q65 VanDerWaalsContact O-N 3.14Å; Q63-Q65 VanDerWaalsContact C-N 3.3Å; Q63-Q65 PolarHBondContact O-N 3.14Å |
| 66 | R | 76.9 | Confident | 85 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -78.6 | 127.2 | 173.2 | -58.2 | -178.6 | -176.8 | -178.3 | 2.8 | 109.6 | Q63 F64 A68 N69 F70 | Q63-R66 VanDerWaalsContact O-CB 3.31Å; Q63-R66 WeakPolarHBondContact O-CB 3.18Å; Q63-R66 WeakPolarHBondContact O-CG 3.32Å; Q63-R66 PolarHBondContact O-N 2.88Å; F64-R66 PolarHBondContact O-N 2.91Å; R66-A68 VanDerWaalsContact C-N 3.26Å; R66-A68 PolarHBondContact O-N 2.81Å; R66-A68 VanDerWaalsContact O-N 3.16Å; R66-N69 HydrophobicContact CB-CB 4.41Å; R66-N69 PolarHBondContact O-N 2.91Å; R66-N69 VanDerWaalsContact O-N 3.15Å; R66-F70 PolarHBondContact O-N 2.81Å |
| 67 | L | 77.9 | Confident | 85 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 51% | 0.508 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -51 | -41.8 | -177.1 | -74.1 | 166.1 | 0 | 0 | 0 | 113.5 | F70 Y71 I290 | L67-F70 PolarHBondContact O-N 2.92Å; L67-Y71 WeakPolarHBondContact O-CB 3.25Å; L67-Y71 PolarHBondContact O-N 3.17Å; L67-I290 HydrophobicContact CD1-CD1 4.35Å |
| 68 | A | 77.8 | Confident | 84.8 | Confident | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68 | -46.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R66 F70 Y71 F72 Y362 | R66-A68 VanDerWaalsContact C-N 3.26Å; R66-A68 PolarHBondContact O-N 2.81Å; R66-A68 VanDerWaalsContact O-N 3.16Å; A68-F70 PolarHBondContact O-N 2.82Å; A68-Y71 WeakPolarHBondContact O-CB 3.43Å; A68-Y71 PolarHBondContact O-N 2.94Å; A68-Y71 VanDerWaalsContact O-N 3.13Å; A68-F72 HydrophobicContact CB-CE2 4.22Å; A68-F72 WeakPolarHBondContact O-CD2 3.48Å; A68-F72 PolarHBondContact O-N 2.9Å; A68-Y362 HydrophobicContact CB-CD2 3.91Å; A68-Y362 HydrophobicContact CB-CE2 3.15Å |
| 69 | N | 82.5 | Confident | 84.8 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | 176.8 | -69.1 | -11.6 | 0 | 0 | 0 | 110.9 | Q63 F64 R66 L73 | Q63-N69 WeakPolarHBondContact O-CB 3.48Å; Q63-N69 PolarHBondContact O-ND2 3.43Å; F64-N69 HydrophobicContact CD1-CB 4.09Å; R66-N69 HydrophobicContact CB-CB 4.41Å; R66-N69 PolarHBondContact O-N 2.91Å; R66-N69 VanDerWaalsContact O-N 3.15Å; N69-L73 WeakPolarHBondContact O-CB 3.42Å; N69-L73 PolarHBondContact O-N 3.2Å |
| 70 | F | 85.3 | Confident | 84.7 | Confident | 107 Ų | 107 | 55.7 Ų | 55.7 | 47% | 0.469 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 173.6 | -175.2 | -109.8 | 0 | 0 | 0 | 112.6 | R66 L67 A68 L73 I74 | R66-F70 PolarHBondContact O-N 2.81Å; L67-F70 PolarHBondContact O-N 2.92Å; A68-F70 PolarHBondContact O-N 2.82Å; F70-L73 WeakPolarHBondContact O-CB 3.49Å; F70-L73 PolarHBondContact O-N 2.83Å; F70-I74 HydrophobicContact CD1-CD1 3.91Å; F70-I74 HydrophobicContact CE1-CD1 3.46Å; F70-I74 VanDerWaalsContact CE1-CD1 3.46Å; F70-I74 HydrophobicContact CE1-CG1 4.39Å; F70-I74 HydrophobicContact CZ-CD1 3.81Å; F70-I74 HydrophobicContact CZ-CG1 4.36Å; F70-I74 WeakPolarHBondContact O-CG1 3.39Å; F70-I74 PolarHBondContact O-N 2.98Å |
| 71 | Y | 86 | Confident | 84.6 | Confident | 33 Ų | 33 | 56.7 Ų | 56.7 | 13% | 0.129 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 174.7 | 169.8 | -103.2 | 0 | 0 | 0 | 112 | L67 A68 L73 I74 L75 V293 L296 N354 V357 | L67-Y71 WeakPolarHBondContact O-CB 3.25Å; L67-Y71 PolarHBondContact O-N 3.17Å; A68-Y71 WeakPolarHBondContact O-CB 3.43Å; A68-Y71 PolarHBondContact O-N 2.94Å; A68-Y71 VanDerWaalsContact O-N 3.13Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 2.96Å; Y71-I74 PolarHBondContact O-N 3.42Å; Y71-L75 HydrophobicContact CD1-CD1 3.65Å; Y71-L75 HydrophobicContact CD2-CD1 4.32Å; Y71-L75 HydrophobicContact CE1-CD1 3.15Å; Y71-L75 HydrophobicContact CE1-CG 4.36Å; Y71-L75 HydrophobicContact CE2-CD1 3.9Å; Y71-L75 HydrophobicContact CE2-CG 4.35Å; Y71-L75 HydrophobicContact CG-CD1 4.21Å; Y71-L75 PolarHBondContact O-N 3.22Å; Y71-V293 HydrophobicContact CD2-CG2 4.34Å; Y71-V293 HydrophobicContact CE2-CG2 4.17Å; Y71-L296 WeakPolarHBondContact OH-CD2 3.35Å; Y71-N354 WeakPolarHBondContact CE1-OD1 3.44Å; Y71-N354 PolarHBondContact OH-OD1 3.4Å; Y71-V357 HydrophobicContact CD1-CB 4.33Å; Y71-V357 HydrophobicContact CD1-CG1 4.04Å; Y71-V357 HydrophobicContact CE1-CB 3.66Å; Y71-V357 HydrophobicContact CE1-CG1 3.88Å; Y71-V357 HydrophobicContact CE1-CG2 4.04Å |
| 72 | F | 85.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.2 | -28.4 | 177.3 | -62.2 | -56.3 | 0 | 0 | 0 | 113.3 | A68 L75 M76 L96 N354 V357 I359 | A68-F72 HydrophobicContact CB-CE2 4.22Å; A68-F72 WeakPolarHBondContact O-CD2 3.48Å; A68-F72 PolarHBondContact O-N 2.9Å; F72-L75 HydrophobicContact CD1-CD1 3.84Å; F72-L75 HydrophobicContact CE1-CD1 4.34Å; F72-L75 PolarHBondContact O-N 2.82Å; F72-M76 VanDerWaalsContact O-CB 3.31Å; F72-M76 WeakPolarHBondContact O-CB 3.28Å; F72-M76 PolarHBondContact O-N 2.7Å; F72-L96 HydrophobicContact CB-CD1 3.97Å; F72-L96 HydrophobicContact CB-CD2 4.37Å; F72-N354 WeakPolarHBondContact CE1-OD1 3.44Å; F72-V357 HydrophobicContact CE1-CG1 4.46Å; F72-V357 VanDerWaalsContact CE1-O 3.26Å; F72-V357 WeakPolarHBondContact CE1-O 3.32Å; F72-V357 HydrophobicContact CZ-CB 4.47Å; F72-V357 HydrophobicContact CZ-CG1 3.9Å; F72-V357 WeakPolarHBondContact CZ-O 3.42Å; F72-I359 HydrophobicContact CD1-CD1 3.72Å; F72-I359 HydrophobicContact CD1-CG1 3.35Å; F72-I359 HydrophobicContact CD2-CB 4.46Å; F72-I359 HydrophobicContact CD2-CG1 3.74Å; F72-I359 HydrophobicContact CD2-CG2 4.46Å; F72-I359 HydrophobicContact CE1-CB 4.31Å; F72-I359 HydrophobicContact CE1-CD1 3.9Å; F72-I359 HydrophobicContact CE1-CG1 3.11Å; F72-I359 HydrophobicContact CE2-CB 4.03Å; F72-I359 HydrophobicContact CE2-CG1 3.51Å; F72-I359 HydrophobicContact CE2-CG2 4.36Å; F72-I359 HydrophobicContact CG-CD1 4.09Å; F72-I359 HydrophobicContact CG-CG1 3.68Å; F72-I359 HydrophobicContact CZ-CB 3.95Å; F72-I359 HydrophobicContact CZ-CD1 4.4Å; F72-I359 HydrophobicContact CZ-CG1 3.19Å |
| 73 | L | 86.6 | Confident | 84 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 170.9 | -177.8 | 68.6 | 0 | 0 | 0 | 111 | F64 N69 F70 Y71 L75 M76 V77 | F64-L73 HydrophobicContact CD1-CB 4.28Å; F64-L73 HydrophobicContact CD1-CD2 3.99Å; F64-L73 HydrophobicContact CE1-CB 3.99Å; F64-L73 HydrophobicContact CE1-CD1 4.01Å; F64-L73 HydrophobicContact CE1-CD2 4.06Å; F64-L73 HydrophobicContact CE1-CG 4.25Å; F64-L73 HydrophobicContact CG-CD2 4.42Å; F64-L73 HydrophobicContact CZ-CD1 4.1Å; N69-L73 WeakPolarHBondContact O-CB 3.42Å; N69-L73 PolarHBondContact O-N 3.2Å; F70-L73 WeakPolarHBondContact O-CB 3.49Å; F70-L73 PolarHBondContact O-N 2.83Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 2.96Å; L73-L75 VanDerWaalsContact C-N 3.35Å; L73-M76 HydrophobicContact CD1-CE 3.85Å; L73-M76 PolarHBondContact O-N 2.75Å; L73-V77 WeakPolarHBondContact O-CG2 3.43Å; L73-V77 PolarHBondContact O-N 3.44Å |
| 74 | I | 87.8 | Confident | 83.9 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 175.7 | -68.2 | 167.4 | 0 | 0 | 0 | 110.4 | F70 Y71 M76 V77 L78 | F70-I74 HydrophobicContact CD1-CD1 3.91Å; F70-I74 HydrophobicContact CE1-CD1 3.46Å; F70-I74 VanDerWaalsContact CE1-CD1 3.46Å; F70-I74 HydrophobicContact CE1-CG1 4.39Å; F70-I74 HydrophobicContact CZ-CD1 3.81Å; F70-I74 HydrophobicContact CZ-CG1 4.36Å; F70-I74 WeakPolarHBondContact O-CG1 3.39Å; F70-I74 PolarHBondContact O-N 2.98Å; Y71-I74 PolarHBondContact O-N 3.42Å; I74-M76 PolarHBondContact O-N 2.94Å; I74-V77 WeakPolarHBondContact O-CB 3.34Å; I74-V77 PolarHBondContact O-N 2.84Å; I74-L78 HydrophobicContact CG2-CD1 4.11Å; I74-L78 HydrophobicContact CG2-CG 4.45Å; I74-L78 WeakPolarHBondContact O-CG 3.37Å; I74-L78 PolarHBondContact O-N 2.66Å |
| 75 | L | 86.8 | Confident | 83.7 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 178.3 | -76.7 | 162.3 | 0 | 0 | 0 | 113.2 | Y71 F72 L73 V77 L78 Q79 V350 N354 | Y71-L75 HydrophobicContact CD1-CD1 3.65Å; Y71-L75 HydrophobicContact CD2-CD1 4.32Å; Y71-L75 HydrophobicContact CE1-CD1 3.15Å; Y71-L75 HydrophobicContact CE1-CG 4.36Å; Y71-L75 HydrophobicContact CE2-CD1 3.9Å; Y71-L75 HydrophobicContact CE2-CG 4.35Å; Y71-L75 HydrophobicContact CG-CD1 4.21Å; Y71-L75 PolarHBondContact O-N 3.22Å; F72-L75 HydrophobicContact CD1-CD1 3.84Å; F72-L75 HydrophobicContact CE1-CD1 4.34Å; F72-L75 PolarHBondContact O-N 2.82Å; L73-L75 VanDerWaalsContact C-N 3.35Å; L75-V77 VanDerWaalsContact C-N 3.28Å; L75-V77 PolarHBondContact O-N 2.85Å; L75-L78 PolarHBondContact O-N 2.7Å; L75-Q79 WeakPolarHBondContact O-CG 3.36Å; L75-Q79 PolarHBondContact O-N 2.91Å; L75-V350 HydrophobicContact CD2-CG1 3.82Å; L75-N354 HydrophobicContact CD1-CB 4.14Å; L75-N354 WeakPolarHBondContact CD1-ND2 3.29Å; L75-N354 WeakPolarHBondContact CD1-OD1 3.44Å; L75-N354 HydrophobicContact CD2-CB 4.25Å |
| 76 | M | 85.7 | Confident | 83.3 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.6 | -175.8 | -168.8 | 78.7 | 0 | 0 | 110.5 | F72 L73 I74 Q79 L80 I93 L96 | F72-M76 VanDerWaalsContact O-CB 3.31Å; F72-M76 WeakPolarHBondContact O-CB 3.28Å; F72-M76 PolarHBondContact O-N 2.7Å; L73-M76 HydrophobicContact CD1-CE 3.85Å; L73-M76 PolarHBondContact O-N 2.75Å; I74-M76 PolarHBondContact O-N 2.94Å; M76-Q79 PolarHBondContact O-N 3.31Å; M76-L80 WeakPolarHBondContact O-CG 3.36Å; M76-L80 PolarHBondContact O-N 2.92Å; M76-I93 HydrophobicContact CG-CD1 4.44Å; M76-I93 HydrophobicContact CG-CG1 3.76Å; M76-I93 HydrophobicContact SD-CG1 4.01Å; M76-L96 HydrophobicContact SD-CD2 4.11Å |
| 77 | V | 88.3 | Confident | 83.3 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | L73 I74 L75 L80 | L73-V77 WeakPolarHBondContact O-CG2 3.43Å; L73-V77 PolarHBondContact O-N 3.44Å; I74-V77 WeakPolarHBondContact O-CB 3.34Å; I74-V77 PolarHBondContact O-N 2.84Å; L75-V77 VanDerWaalsContact C-N 3.28Å; L75-V77 PolarHBondContact O-N 2.85Å; V77-L80 PolarHBondContact O-N 3.04Å |
| 78 | L | 87.6 | Confident | 83.3 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.9 | -69.3 | 171.9 | 0 | 0 | 0 | 112.1 | I74 L75 L80 I81 I84 F347 I351 | I74-L78 HydrophobicContact CG2-CD1 4.11Å; I74-L78 HydrophobicContact CG2-CG 4.45Å; I74-L78 WeakPolarHBondContact O-CG 3.37Å; I74-L78 PolarHBondContact O-N 2.66Å; L75-L78 PolarHBondContact O-N 2.7Å; L78-L80 PolarHBondContact O-N 2.98Å; L78-I81 WeakPolarHBondContact O-CB 3.3Å; L78-I81 PolarHBondContact O-N 2.99Å; L78-I81 VanDerWaalsContact O-N 3.11Å; L78-I84 HydrophobicContact CB-CD1 4.24Å; L78-I84 HydrophobicContact CD2-CD1 4.12Å; L78-I84 WeakPolarHBondContact O-CD1 3.49Å; L78-F347 HydrophobicContact CD1-CD1 4.1Å; L78-F347 HydrophobicContact CD2-CD1 3.91Å; L78-F347 HydrophobicContact CD2-CE1 4.14Å; L78-I351 HydrophobicContact CB-CD1 4.3Å |
| 79 | Q | 87 | Confident | 83.3 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.1 | -13.3 | 178.1 | -75.2 | -177.3 | -22.3 | 0 | 0 | 114.4 | L75 M76 I81 T92 I351 | L75-Q79 WeakPolarHBondContact O-CG 3.36Å; L75-Q79 PolarHBondContact O-N 2.91Å; M76-Q79 PolarHBondContact O-N 3.31Å; Q79-I81 PolarHBondContact O-N 3.2Å; Q79-T92 PolarHBondContact NE2-OG1 3.48Å; Q79-T92 PolarHBondContact OE1-OG1 3.18Å; Q79-I351 HydrophobicContact CG-CD1 3.98Å; Q79-I351 HydrophobicContact CG-CG1 4.02Å; Q79-I351 HydrophobicContact CG-CG2 3.87Å |
| 80 | L | 85.8 | Confident | 83 | Confident | 111 Ų | 111 | 56 Ų | 56 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14.3 | 172.1 | -68.4 | 172.6 | 0 | 0 | 0 | 112.5 | M76 V77 L78 P82 | M76-L80 WeakPolarHBondContact O-CG 3.36Å; M76-L80 PolarHBondContact O-N 2.92Å; V77-L80 PolarHBondContact O-N 3.04Å; L78-L80 PolarHBondContact O-N 2.98Å; L80-P82 WeakPolarHBondContact O-CD 3.48Å |
| 81 | I | 86.7 | Confident | 82.4 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -89.3 | 108.5 | 177.2 | -57.8 | 170.4 | 0 | 0 | 0 | 107.9 | L78 Q79 E83 I84 S85 | L78-I81 WeakPolarHBondContact O-CB 3.3Å; L78-I81 PolarHBondContact O-N 2.99Å; L78-I81 VanDerWaalsContact O-N 3.11Å; Q79-I81 PolarHBondContact O-N 3.2Å; I81-E83 VanDerWaalsContact C-N 3.25Å; I81-E83 PolarHBondContact O-N 2.66Å; I81-I84 HydrophobicContact CB-CD1 3.85Å; I81-I84 HydrophobicContact CB-CG1 3.76Å; I81-I84 HydrophobicContact CD1-CD1 3.98Å; I81-I84 HydrophobicContact CG1-CD1 4.45Å; I81-I84 HydrophobicContact CG2-CD1 4.17Å; I81-I84 HydrophobicContact CG2-CG1 3.91Å; I81-I84 WeakPolarHBondContact O-CG1 3.41Å; I81-I84 PolarHBondContact O-N 2.96Å; I81-S85 PolarHBondContact O-N 2.97Å |
| 82 | P | 79.5 | Confident | 82 | Confident | 104 Ų | 104 | 50.2 Ų | 50.2 | 68% | 0.675 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.7 | -172.3 | 23.9 | -33.4 | 0 | 0 | 0 | 113 | L80 I84 S85 | L80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-I84 VanDerWaalsContact C-N 3.26Å; P82-I84 PolarHBondContact O-N 2.96Å; P82-S85 PolarHBondContact O-N 3.13Å |
| 83 | E | 78 | Confident | 81.9 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.5 | -175.8 | -54.2 | -61.1 | 176.7 | 0 | 0 | 114.7 | I81 Y327 | I81-E83 VanDerWaalsContact C-N 3.25Å; I81-E83 PolarHBondContact O-N 2.66Å; E83-Y327 HydrophobicContact CB-CE1 4.38Å; E83-Y327 HydrophobicContact CG-CD1 4.48Å; E83-Y327 HydrophobicContact CG-CE1 4.31Å; E83-Y327 WeakPolarHBondContact OE2-CD1 3.39Å; E83-Y327 WeakPolarHBondContact OE2-CE1 3.35Å |
| 84 | I | 83.2 | Confident | 81.5 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -10.5 | 179.1 | 61.3 | 177.7 | 0 | 0 | 0 | 112.5 | L78 I81 P82 S86 L344 F347 S348 I351 | L78-I84 HydrophobicContact CB-CD1 4.24Å; L78-I84 HydrophobicContact CD2-CD1 4.12Å; L78-I84 WeakPolarHBondContact O-CD1 3.49Å; I81-I84 HydrophobicContact CB-CD1 3.85Å; I81-I84 HydrophobicContact CB-CG1 3.76Å; I81-I84 HydrophobicContact CD1-CD1 3.98Å; I81-I84 HydrophobicContact CG1-CD1 4.45Å; I81-I84 HydrophobicContact CG2-CD1 4.17Å; I81-I84 HydrophobicContact CG2-CG1 3.91Å; I81-I84 WeakPolarHBondContact O-CG1 3.41Å; I81-I84 PolarHBondContact O-N 2.96Å; P82-I84 VanDerWaalsContact C-N 3.26Å; P82-I84 PolarHBondContact O-N 2.96Å; I84-S86 PolarHBondContact O-N 2.84Å; I84-L344 HydrophobicContact CG2-CB 4.37Å; I84-L344 HydrophobicContact CG2-CD2 3.87Å; I84-F347 HydrophobicContact CB-CB 4.17Å; I84-F347 HydrophobicContact CD1-CB 3.99Å; I84-F347 HydrophobicContact CG2-CB 4.22Å; I84-S348 WeakPolarHBondContact O-CA 3.49Å; I84-S348 PolarHBondContact O-OG 3.28Å; I84-I351 HydrophobicContact CD1-CD1 4.39Å; I84-I351 HydrophobicContact CG1-CD1 4.12Å; I84-I351 WeakPolarHBondContact O-CD1 3.34Å |
| 85 | S | 81.9 | Confident | 80.8 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | trans | -83.4 | 105.1 | -171.2 | -160.4 | 0 | 0 | 0 | 0 | 111.5 | I81 P82 L87 | I81-S85 PolarHBondContact O-N 2.97Å; P82-S85 PolarHBondContact O-N 3.13Å; S85-L87 VanDerWaalsContact C-N 3.32Å; S85-L87 PolarHBondContact OG-O 2.81Å | ||
| 86 | S | 73.5 | Confident | 80.6 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -79.7 | -12.9 | 172.5 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | I84 S348 | I84-S86 PolarHBondContact O-N 2.84Å; S86-S348 PolarHBondContact OG-O 2.77Å |
| 87 | L | 76.9 | Confident | 80.6 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -124.4 | 157.4 | -178.3 | -69 | 168.5 | 0 | 0 | 0 | 110.6 | S85 I351 T958 I965 | S85-L87 VanDerWaalsContact C-N 3.32Å; S85-L87 PolarHBondContact OG-O 2.81Å; L87-I351 HydrophobicContact CB-CG2 4.24Å; L87-I351 HydrophobicContact CD1-CG2 4.17Å; L87-I351 HydrophobicContact CG-CG2 4.41Å; L87-T958 HydrophobicContact CD2-CG2 3.79Å; L87-I965 HydrophobicContact CD2-CD1 3.74Å |
| 88 | T | 77.9 | Confident | 80.3 | Confident | 76 Ų | 76 | 52.2 Ų | 52.2 | 47% | 0.466 | 30% | 0.301 | S | S | . | . | trans | -68 | 138 | 172.2 | 60.2 | 0 | 0 | 0 | 0 | 109.9 | L90 T91 | T88-L90 PolarHBondContact O-N 2.83Å; T88-L90 VanDerWaalsContact O-N 3.12Å; T88-T91 WeakPolarHBondContact O-CB 3.2Å; T88-T91 WeakPolarHBondContact O-CG2 3.4Å; T88-T91 PolarHBondContact O-N 2.79Å; T88-T91 PolarHBondContact O-OG1 3.19Å; T88-T91 VanDerWaalsContact OG1-CG2 3.32Å; T88-T91 WeakPolarHBondContact OG1-CG2 3.09Å | ||
| 89 | S | 77.4 | Confident | 79.8 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.6 | -178.9 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | T91 T92 I93 | S89-T91 PolarHBondContact O-N 3.08Å; S89-T92 PolarHBondContact O-N 3.39Å; S89-I93 VanDerWaalsContact O-CG1 3.32Å; S89-I93 WeakPolarHBondContact O-CG1 3.21Å; S89-I93 PolarHBondContact O-N 3.24Å |
| 90 | L | 76.7 | Confident | 79.8 | Confident | 123 Ų | 123 | 51.9 Ų | 51.9 | 64% | 0.644 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.2 | -30.7 | 174.8 | -66.3 | 175.9 | 0 | 0 | 0 | 112.9 | T88 T92 L94 | T88-L90 PolarHBondContact O-N 2.83Å; T88-L90 VanDerWaalsContact O-N 3.12Å; L90-T92 VanDerWaalsContact C-N 3.31Å; L90-T92 PolarHBondContact O-N 3.19Å; L90-L94 WeakPolarHBondContact O-CB 3.36Å; L90-L94 PolarHBondContact O-N 2.98Å; L90-L94 VanDerWaalsContact O-N 3.14Å |
| 91 | T | 71.5 | Confident | 79.9 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -33.2 | -177.6 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | T88 S89 P95 T966 | T88-T91 WeakPolarHBondContact O-CB 3.2Å; T88-T91 WeakPolarHBondContact O-CG2 3.4Å; T88-T91 PolarHBondContact O-N 2.79Å; T88-T91 PolarHBondContact O-OG1 3.19Å; T88-T91 VanDerWaalsContact OG1-CG2 3.32Å; T88-T91 WeakPolarHBondContact OG1-CG2 3.09Å; S89-T91 PolarHBondContact O-N 3.08Å; T91-P95 WeakPolarHBondContact O-CD 3.32Å; T91-P95 VanDerWaalsContact O-CG 3.24Å; T91-P95 WeakPolarHBondContact O-CG 3.45Å; T91-T966 WeakPolarHBondContact CB-OG1 3.36Å; T91-T966 WeakPolarHBondContact CG2-OG1 3.45Å |
| 92 | T | 78.1 | Confident | 79.6 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -98.1 | -38.6 | 178.5 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | Q79 S89 L90 L94 P95 L96 I359 | Q79-T92 PolarHBondContact NE2-OG1 3.48Å; Q79-T92 PolarHBondContact OE1-OG1 3.18Å; S89-T92 PolarHBondContact O-N 3.39Å; L90-T92 VanDerWaalsContact C-N 3.31Å; L90-T92 PolarHBondContact O-N 3.19Å; T92-L94 PolarHBondContact O-N 3.16Å; T92-P95 WeakPolarHBondContact O-CD 3.49Å; T92-L96 VanDerWaalsContact O-CB 3.25Å; T92-L96 WeakPolarHBondContact O-CB 3.05Å; T92-L96 PolarHBondContact O-N 2.97Å; T92-L96 VanDerWaalsContact O-N 3.09Å; T92-I359 HydrophobicContact CG2-CD1 4.19Å |
| 93 | I | 82.2 | Confident | 79.6 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | -177.7 | -68.9 | 169.9 | 0 | 0 | 0 | 110.4 | M76 S89 L96 V97 | M76-I93 HydrophobicContact CG-CD1 4.44Å; M76-I93 HydrophobicContact CG-CG1 3.76Å; M76-I93 HydrophobicContact SD-CG1 4.01Å; S89-I93 VanDerWaalsContact O-CG1 3.32Å; S89-I93 WeakPolarHBondContact O-CG1 3.21Å; S89-I93 PolarHBondContact O-N 3.24Å; I93-L96 PolarHBondContact O-N 3.07Å; I93-V97 HydrophobicContact CG2-CG2 4.02Å; I93-V97 WeakPolarHBondContact O-CB 3.36Å; I93-V97 VanDerWaalsContact O-CG2 3.28Å; I93-V97 WeakPolarHBondContact O-CG2 3.46Å; I93-V97 PolarHBondContact O-N 3.14Å |
| 94 | L | 79 | Confident | 80 | Confident | 104 Ų | 104 | 43.4 Ų | 43.4 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -50.5 | -174.1 | -179.1 | 70.8 | 0 | 0 | 0 | 112.2 | L90 T92 L96 A98 | L90-L94 WeakPolarHBondContact O-CB 3.36Å; L90-L94 PolarHBondContact O-N 2.98Å; L90-L94 VanDerWaalsContact O-N 3.14Å; T92-L94 PolarHBondContact O-N 3.16Å; L94-L96 PolarHBondContact O-N 3.48Å; L94-A98 WeakPolarHBondContact O-CB 3.34Å; L94-A98 PolarHBondContact O-N 3.35Å |
| 95 | P | 73.5 | Confident | 80.2 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 173.2 | -25.6 | 35.7 | 0 | 0 | 0 | 113 | T91 T92 A98 V99 I359 | T91-P95 WeakPolarHBondContact O-CD 3.32Å; T91-P95 VanDerWaalsContact O-CG 3.24Å; T91-P95 WeakPolarHBondContact O-CG 3.45Å; T92-P95 WeakPolarHBondContact O-CD 3.49Å; P95-A98 PolarHBondContact O-N 2.8Å; P95-V99 WeakPolarHBondContact O-CG2 3.3Å; P95-V99 PolarHBondContact O-N 2.96Å; P95-I359 HydrophobicContact CB-CB 4.27Å; P95-I359 HydrophobicContact CB-CD1 3.91Å; P95-I359 HydrophobicContact CB-CG2 3.91Å; P95-I359 HydrophobicContact CG-CD1 4.49Å |
| 96 | L | 82.6 | Confident | 80.1 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -49 | -178.7 | -179 | 61.4 | 0 | 0 | 0 | 111.6 | F72 M76 T92 I93 L94 A98 V99 L100 | F72-L96 HydrophobicContact CB-CD1 3.97Å; F72-L96 HydrophobicContact CB-CD2 4.37Å; M76-L96 HydrophobicContact SD-CD2 4.11Å; T92-L96 VanDerWaalsContact O-CB 3.25Å; T92-L96 WeakPolarHBondContact O-CB 3.05Å; T92-L96 PolarHBondContact O-N 2.97Å; T92-L96 VanDerWaalsContact O-N 3.09Å; I93-L96 PolarHBondContact O-N 3.07Å; L94-L96 PolarHBondContact O-N 3.48Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 3.32Å; L96-V99 PolarHBondContact O-N 3.09Å; L96-L100 HydrophobicContact CD1-CD1 4.23Å; L96-L100 HydrophobicContact CD1-CG 4.23Å; L96-L100 HydrophobicContact CG-CD1 4.07Å; L96-L100 HydrophobicContact CG-CG 4.45Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.3Å |
| 97 | V | 85.4 | Confident | 80.4 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | I93 V99 L100 L101 | I93-V97 HydrophobicContact CG2-CG2 4.02Å; I93-V97 WeakPolarHBondContact O-CB 3.36Å; I93-V97 VanDerWaalsContact O-CG2 3.28Å; I93-V97 WeakPolarHBondContact O-CG2 3.46Å; I93-V97 PolarHBondContact O-N 3.14Å; V97-V99 PolarHBondContact O-N 3.05Å; V97-L100 PolarHBondContact O-N 3.4Å; V97-L101 HydrophobicContact CG1-CD1 3.72Å; V97-L101 HydrophobicContact CG1-CG 4.15Å; V97-L101 WeakPolarHBondContact O-CB 3.33Å; V97-L101 VanDerWaalsContact O-CG 3.27Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 2.92Å |
| 98 | A | 80.8 | Confident | 80.7 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L94 P95 L96 L102 | L94-A98 WeakPolarHBondContact O-CB 3.34Å; L94-A98 PolarHBondContact O-N 3.35Å; P95-A98 PolarHBondContact O-N 2.8Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 3.32Å; A98-L102 WeakPolarHBondContact O-CB 3.46Å; A98-L102 PolarHBondContact O-N 2.99Å |
| 99 | V | 78.9 | Confident | 81 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | P95 L96 V97 L102 T103 I359 V363 | P95-V99 WeakPolarHBondContact O-CG2 3.3Å; P95-V99 PolarHBondContact O-N 2.96Å; L96-V99 PolarHBondContact O-N 3.09Å; V97-V99 PolarHBondContact O-N 3.05Å; V99-L102 PolarHBondContact O-N 3.25Å; V99-T103 WeakPolarHBondContact O-CB 3.36Å; V99-T103 PolarHBondContact O-N 2.92Å; V99-T103 PolarHBondContact O-OG1 3.26Å; V99-I359 HydrophobicContact CG2-CG2 3.48Å; V99-I359 VanDerWaalsContact CG2-CG2 3.48Å; V99-V363 HydrophobicContact CB-CG2 3.85Å; V99-V363 HydrophobicContact CG1-CG2 3.78Å; V99-V363 HydrophobicContact CG2-CG2 3.25Å |
| 100 | L | 85.7 | Confident | 80.6 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | -177.1 | -67 | 176.7 | 0 | 0 | 0 | 111.4 | Q63 F64 L96 V97 A104 | Q63-L100 HydrophobicContact CB-CD2 4.18Å; Q63-L100 PolarHBondContact NE2-O 2.93Å; F64-L100 HydrophobicContact CE1-CD1 4.26Å; F64-L100 HydrophobicContact CE1-CD2 4.47Å; F64-L100 HydrophobicContact CZ-CD1 3.78Å; F64-L100 HydrophobicContact CZ-CD2 4.49Å; L96-L100 HydrophobicContact CD1-CD1 4.23Å; L96-L100 HydrophobicContact CD1-CG 4.23Å; L96-L100 HydrophobicContact CG-CD1 4.07Å; L96-L100 HydrophobicContact CG-CG 4.45Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.3Å; V97-L100 PolarHBondContact O-N 3.4Å; L100-A104 VanDerWaalsContact O-CB 3.23Å; L100-A104 WeakPolarHBondContact O-CB 3.29Å; L100-A104 PolarHBondContact O-N 3.49Å |
| 101 | L | 87.8 | Confident | 80.8 | Confident | 115 Ų | 115 | 45.7 Ų | 45.7 | 60% | 0.602 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.4 | -44.6 | 176.5 | -75.3 | 175.2 | 0 | 0 | 0 | 112.2 | V97 T103 A104 A105 | V97-L101 HydrophobicContact CG1-CD1 3.72Å; V97-L101 HydrophobicContact CG1-CG 4.15Å; V97-L101 WeakPolarHBondContact O-CB 3.33Å; V97-L101 VanDerWaalsContact O-CG 3.27Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 2.92Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.02Å; L101-A104 PolarHBondContact O-N 3.46Å; L101-A105 WeakPolarHBondContact O-CB 3.14Å; L101-A105 PolarHBondContact O-N 3.38Å |
| 102 | L | 82.1 | Confident | 81.3 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 42% | 0.419 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 178.5 | -172 | 147.8 | 0 | 0 | 0 | 111 | A98 V99 A105 K106 V363 | A98-L102 WeakPolarHBondContact O-CB 3.46Å; A98-L102 PolarHBondContact O-N 2.99Å; V99-L102 PolarHBondContact O-N 3.25Å; L102-A105 PolarHBondContact O-N 3.41Å; L102-K106 PolarHBondContact O-N 3.09Å; L102-K106 VanDerWaalsContact O-N 3.08Å; L102-V363 HydrophobicContact CD1-CG1 4.36Å |
| 103 | T | 78.7 | Confident | 81.1 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 175.7 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | Q63 V99 L101 K106 D107 | Q63-T103 HydrophobicContact CG-CG2 4.03Å; V99-T103 WeakPolarHBondContact O-CB 3.36Å; V99-T103 PolarHBondContact O-N 2.92Å; V99-T103 PolarHBondContact O-OG1 3.26Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.02Å; T103-K106 WeakPolarHBondContact O-CB 3.43Å; T103-K106 PolarHBondContact O-N 2.76Å; T103-D107 PolarHBondContact O-N 3.4Å |
| 104 | A | 87 | Confident | 80.8 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 13% | 0.132 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F55 L100 L101 K106 D107 A108 | F55-A104 HydrophobicContact CZ-CB 4.18Å; F55-A104 WeakPolarHBondContact CZ-O 3.17Å; L100-A104 VanDerWaalsContact O-CB 3.23Å; L100-A104 WeakPolarHBondContact O-CB 3.29Å; L100-A104 PolarHBondContact O-N 3.49Å; L101-A104 PolarHBondContact O-N 3.46Å; A104-K106 VanDerWaalsContact C-N 3.34Å; A104-K106 PolarHBondContact O-N 2.65Å; A104-D107 PolarHBondContact O-N 3.2Å; A104-A108 VanDerWaalsContact O-CB 3.28Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 3.09Å |
| 105 | A | 86.8 | Confident | 80.9 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L101 L102 A108 F109 | L101-A105 WeakPolarHBondContact O-CB 3.14Å; L101-A105 PolarHBondContact O-N 3.38Å; L102-A105 PolarHBondContact O-N 3.41Å; A105-A108 PolarHBondContact O-N 3.48Å; A105-F109 PolarHBondContact O-N 3.34Å |
| 106 | K | 79 | Confident | 81.3 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 22% | 0.217 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.2 | -53.8 | 172.4 | -179.8 | -164.8 | 178.7 | 178.7 | 0 | 111.4 | L102 T103 A104 A108 F109 D110 E366 | L102-K106 PolarHBondContact O-N 3.09Å; L102-K106 VanDerWaalsContact O-N 3.08Å; T103-K106 WeakPolarHBondContact O-CB 3.43Å; T103-K106 PolarHBondContact O-N 2.76Å; A104-K106 VanDerWaalsContact C-N 3.34Å; A104-K106 PolarHBondContact O-N 2.65Å; K106-A108 VanDerWaalsContact C-N 3.26Å; K106-A108 PolarHBondContact O-N 3.23Å; K106-F109 WeakPolarHBondContact O-CB 3.42Å; K106-F109 PolarHBondContact O-N 3.23Å; K106-F109 VanDerWaalsContact O-N 3.11Å; K106-D110 PolarHBondContact O-N 3.01Å; K106-E366 IonicContact NZ-OE2 2.78Å; K106-E366 PolarHBondContact NZ-OE2 3.01Å |
| 107 | D | 79.4 | Confident | 80.8 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 15% | 0.15 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -33.3 | -177.7 | -68.2 | -23.1 | 0 | 0 | 0 | 112 | Y50 N59 T103 A104 D111 | Y50-D107 HydrophobicContact CE2-CB 4.42Å; N59-D107 WeakPolarHBondContact ND2-CB 3.43Å; N59-D107 PolarHBondContact ND2-OD2 2.7Å; T103-D107 PolarHBondContact O-N 3.4Å; A104-D107 PolarHBondContact O-N 3.2Å; D107-D111 WeakPolarHBondContact O-CB 3.4Å; D107-D111 PolarHBondContact O-N 3.31Å |
| 108 | A | 85.2 | Confident | 80.6 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F55 A104 A105 K106 D111 L112 | F55-A108 HydrophobicContact CE1-CB 4.47Å; F55-A108 HydrophobicContact CE2-CB 3.81Å; F55-A108 HydrophobicContact CZ-CB 3.67Å; A104-A108 VanDerWaalsContact O-CB 3.28Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 3.09Å; A105-A108 PolarHBondContact O-N 3.48Å; K106-A108 VanDerWaalsContact C-N 3.26Å; K106-A108 PolarHBondContact O-N 3.23Å; A108-D111 PolarHBondContact O-N 3.21Å; A108-L112 VanDerWaalsContact O-CB 3.31Å; A108-L112 WeakPolarHBondContact O-CB 3.17Å; A108-L112 PolarHBondContact O-N 3.32Å |
| 109 | F | 83.5 | Confident | 80.8 | Confident | 136 Ų | 136 | 61 Ų | 61 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.6 | -46.6 | 176.4 | -179.6 | -94.4 | 0 | 0 | 0 | 111.3 | A105 K106 D111 L112 Q113 | A105-F109 PolarHBondContact O-N 3.34Å; K106-F109 WeakPolarHBondContact O-CB 3.42Å; K106-F109 PolarHBondContact O-N 3.23Å; K106-F109 VanDerWaalsContact O-N 3.11Å; F109-D111 VanDerWaalsContact C-N 3.35Å; F109-D111 PolarHBondContact O-N 2.93Å; F109-L112 PolarHBondContact O-N 2.83Å; F109-Q113 PolarHBondContact O-N 3.42Å; F109-Q113 VanDerWaalsContact O-N 3.09Å |
| 110 | D | 69.4 | Low | 81.1 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 177.8 | -73 | -9.8 | 0 | 0 | 0 | 111.7 | K106 Q113 R114 | K106-D110 PolarHBondContact O-N 3.01Å; D110-Q113 PolarHBondContact O-N 2.85Å; D110-R114 WeakPolarHBondContact O-CG 3.47Å; D110-R114 PolarHBondContact O-N 3.16Å |
| 111 | D | 79.9 | Confident | 80.9 | Confident | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.5 | -34.7 | 178.5 | -151.8 | 57.5 | 0 | 0 | 0 | 112.2 | S48 K49 Y50 D107 A108 F109 Q113 R114 H115 | S48-D111 VanDerWaalsContact CA-OD1 3.3Å; S48-D111 WeakPolarHBondContact CA-OD1 3.29Å; S48-D111 WeakPolarHBondContact CB-OD1 3.24Å; K49-D111 PolarHBondContact N-OD1 2.94Å; Y50-D111 WeakPolarHBondContact CB-OD2 3.27Å; Y50-D111 HydrophobicContact CD2-CB 3.91Å; Y50-D111 PolarHBondContact N-OD2 2.89Å; D107-D111 WeakPolarHBondContact O-CB 3.4Å; D107-D111 PolarHBondContact O-N 3.31Å; A108-D111 PolarHBondContact O-N 3.21Å; F109-D111 VanDerWaalsContact C-N 3.35Å; F109-D111 PolarHBondContact O-N 2.93Å; D111-Q113 VanDerWaalsContact C-N 3.3Å; D111-Q113 PolarHBondContact O-N 3.39Å; D111-R114 WeakPolarHBondContact O-CB 3.43Å; D111-R114 PolarHBondContact O-N 3.34Å; D111-R114 VanDerWaalsContact O-N 3.11Å; D111-H115 PolarHBondContact O-CD2 3.25Å; D111-H115 PolarHBondContact O-N 3.23Å; D111-H115 IonicContact OD2-CD2 3.78Å; D111-H115 PolarHBondContact OD2-CD2 2.87Å; D111-H115 IonicContact OD2-NE2 3.11Å; D111-H115 PolarHBondContact OD2-NE2 2.88Å; D111-H115 VanDerWaalsContact OD2-NE2 3.08Å |
| 112 | L | 82.3 | Confident | 80.9 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 44% | 0.44 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 174.1 | -176.4 | 68.2 | 0 | 0 | 0 | 111.3 | A108 F109 R114 H115 R116 | A108-L112 VanDerWaalsContact O-CB 3.31Å; A108-L112 WeakPolarHBondContact O-CB 3.17Å; A108-L112 PolarHBondContact O-N 3.32Å; F109-L112 PolarHBondContact O-N 2.83Å; L112-R114 VanDerWaalsContact C-N 3.31Å; L112-R114 PolarHBondContact O-N 3.27Å; L112-H115 PolarHBondContact O-N 2.8Å; L112-R116 WeakPolarHBondContact O-CG 3.42Å; L112-R116 PolarHBondContact O-N 2.96Å |
| 113 | Q | 74.4 | Confident | 81.2 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 174.5 | -172.2 | 176.7 | 0.6 | 0 | 0 | 111.5 | F109 D110 D111 R116 S117 | F109-Q113 PolarHBondContact O-N 3.42Å; F109-Q113 VanDerWaalsContact O-N 3.09Å; D110-Q113 PolarHBondContact O-N 2.85Å; D111-Q113 VanDerWaalsContact C-N 3.3Å; D111-Q113 PolarHBondContact O-N 3.39Å; Q113-R116 PolarHBondContact O-N 3.15Å; Q113-S117 PolarHBondContact O-N 2.65Å; Q113-S117 VanDerWaalsContact O-N 3.07Å |
| 114 | R | 74.8 | Confident | 81.7 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 174.6 | -66.9 | 175.8 | -170.8 | 179.6 | 5.2 | 112.1 | D110 D111 L112 R116 S117 D118 | D110-R114 WeakPolarHBondContact O-CG 3.47Å; D110-R114 PolarHBondContact O-N 3.16Å; D111-R114 WeakPolarHBondContact O-CB 3.43Å; D111-R114 PolarHBondContact O-N 3.34Å; D111-R114 VanDerWaalsContact O-N 3.11Å; L112-R114 VanDerWaalsContact C-N 3.31Å; L112-R114 PolarHBondContact O-N 3.27Å; R114-R116 VanDerWaalsContact C-N 3.31Å; R114-R116 PolarHBondContact O-N 2.89Å; R114-S117 WeakPolarHBondContact O-CB 3.22Å; R114-S117 PolarHBondContact O-N 3.45Å; R114-S117 VanDerWaalsContact O-N 3.16Å; R114-D118 WeakPolarHBondContact O-CB 3.48Å; R114-D118 VanDerWaalsContact O-CG 3.31Å; R114-D118 PolarHBondContact O-N 2.91Å |
| 115 | H | 81.1 | Confident | 81.8 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 175.2 | -78.3 | -72 | 0 | 0 | 0 | 112.3 | S48 Y50 D111 L112 D118 N119 | S48-H115 WeakPolarHBondContact CB-CE1 3.33Å; S48-H115 VanDerWaalsContact CB-NE2 3.27Å; S48-H115 WeakPolarHBondContact CB-NE2 3.18Å; S48-H115 PolarHBondContact OG-CE1 2.72Å; S48-H115 PolarHBondContact OG-ND1 3.31Å; S48-H115 PolarHBondContact OG-NE2 3.22Å; Y50-H115 PolarHBondContact O-NE2 2.87Å; Y50-H115 VanDerWaalsContact O-NE2 3.17Å; D111-H115 PolarHBondContact O-CD2 3.25Å; D111-H115 PolarHBondContact O-N 3.23Å; D111-H115 IonicContact OD2-CD2 3.78Å; D111-H115 PolarHBondContact OD2-CD2 2.87Å; D111-H115 IonicContact OD2-NE2 3.11Å; D111-H115 PolarHBondContact OD2-NE2 2.88Å; D111-H115 VanDerWaalsContact OD2-NE2 3.08Å; L112-H115 PolarHBondContact O-N 2.8Å; H115-D118 PolarHBondContact O-N 3.5Å; H115-N119 VanDerWaalsContact O-CB 3.26Å; H115-N119 WeakPolarHBondContact O-CB 3.17Å; H115-N119 PolarHBondContact O-N 3.46Å; H115-N119 PolarHBondContact O-ND2 2.86Å |
| 116 | R | 83.1 | Confident | 82 | Confident | 160 Ų | 160 | 68.3 Ų | 68.3 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 174.2 | -73.4 | 177.6 | -178.1 | 179.1 | 1.4 | 111.6 | L112 Q113 R114 N119 Q120 | L112-R116 WeakPolarHBondContact O-CG 3.42Å; L112-R116 PolarHBondContact O-N 2.96Å; Q113-R116 PolarHBondContact O-N 3.15Å; R114-R116 VanDerWaalsContact C-N 3.31Å; R114-R116 PolarHBondContact O-N 2.89Å; R116-N119 PolarHBondContact O-N 3.48Å; R116-Q120 WeakPolarHBondContact O-CG 3.12Å; R116-Q120 PolarHBondContact O-N 3.18Å |
| 117 | S | 71.8 | Confident | 82.6 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 176.7 | -170.4 | 0 | 0 | 0 | 0 | 112 | Q113 R114 N119 Q120 V121 | Q113-S117 PolarHBondContact O-N 2.65Å; Q113-S117 VanDerWaalsContact O-N 3.07Å; R114-S117 WeakPolarHBondContact O-CB 3.22Å; R114-S117 PolarHBondContact O-N 3.45Å; R114-S117 VanDerWaalsContact O-N 3.16Å; S117-N119 VanDerWaalsContact C-N 3.34Å; S117-N119 PolarHBondContact O-N 2.8Å; S117-Q120 PolarHBondContact O-N 3.11Å; S117-V121 PolarHBondContact O-N 2.79Å; S117-V121 VanDerWaalsContact O-N 3.15Å |
| 118 | D | 80.4 | Confident | 83.3 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60 | -45 | 177 | -71.9 | -15 | 0 | 0 | 0 | 110.7 | R46 T47 S48 R114 H115 Q120 V121 N122 | R46-D118 WeakPolarHBondContact CA-OD2 3.33Å; T47-D118 WeakPolarHBondContact CB-OD1 3.33Å; T47-D118 WeakPolarHBondContact CG2-OD1 3.32Å; T47-D118 PolarHBondContact N-OD1 2.97Å; T47-D118 PolarHBondContact N-OD2 3.3Å; T47-D118 VanDerWaalsContact OG1-CG 3.27Å; T47-D118 PolarHBondContact OG1-OD1 3.28Å; T47-D118 PolarHBondContact OG1-OD2 3.05Å; S48-D118 PolarHBondContact N-OD2 3.08Å; R114-D118 WeakPolarHBondContact O-CB 3.48Å; R114-D118 VanDerWaalsContact O-CG 3.31Å; R114-D118 PolarHBondContact O-N 2.91Å; H115-D118 PolarHBondContact O-N 3.5Å; D118-Q120 VanDerWaalsContact C-N 3.34Å; D118-Q120 PolarHBondContact O-N 2.93Å; D118-V121 PolarHBondContact O-N 2.92Å; D118-N122 VanDerWaalsContact O-CB 3.31Å; D118-N122 WeakPolarHBondContact O-CB 3.39Å; D118-N122 VanDerWaalsContact O-CG 3.24Å; D118-N122 PolarHBondContact O-N 2.97Å; D118-N122 PolarHBondContact O-ND2 2.9Å |
| 119 | N | 85.8 | Confident | 83.5 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 177.6 | -78 | -21.2 | 0 | 0 | 0 | 112.5 | H115 R116 S117 V121 N123 | H115-N119 VanDerWaalsContact O-CB 3.26Å; H115-N119 WeakPolarHBondContact O-CB 3.17Å; H115-N119 PolarHBondContact O-N 3.46Å; H115-N119 PolarHBondContact O-ND2 2.86Å; R116-N119 PolarHBondContact O-N 3.48Å; S117-N119 VanDerWaalsContact C-N 3.34Å; S117-N119 PolarHBondContact O-N 2.8Å; N119-V121 VanDerWaalsContact C-N 3.35Å; N119-N123 VanDerWaalsContact O-CB 3.25Å; N119-N123 WeakPolarHBondContact O-CB 3.16Å; N119-N123 PolarHBondContact O-N 3.24Å; N119-N123 PolarHBondContact O-ND2 3.3Å |
| 120 | Q | 84.9 | Confident | 83.5 | Confident | 142 Ų | 142 | 63.4 Ų | 63.4 | 66% | 0.664 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 175.6 | -76.3 | 175.8 | -7.6 | 0 | 0 | 111.6 | R116 S117 D118 R124 | R116-Q120 WeakPolarHBondContact O-CG 3.12Å; R116-Q120 PolarHBondContact O-N 3.18Å; S117-Q120 PolarHBondContact O-N 3.11Å; D118-Q120 VanDerWaalsContact C-N 3.34Å; D118-Q120 PolarHBondContact O-N 2.93Å; Q120-R124 WeakPolarHBondContact O-CG 3.38Å; Q120-R124 PolarHBondContact O-N 3.43Å |
| 121 | V | 81.2 | Confident | 83.9 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.9 | -46.9 | 178.8 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | I45 S117 D118 N119 N123 R124 W139 | I45-V121 HydrophobicContact CD1-CG1 4.32Å; S117-V121 PolarHBondContact O-N 2.79Å; S117-V121 VanDerWaalsContact O-N 3.15Å; D118-V121 PolarHBondContact O-N 2.92Å; N119-V121 VanDerWaalsContact C-N 3.35Å; V121-N123 VanDerWaalsContact C-N 3.3Å; V121-N123 PolarHBondContact O-N 3.36Å; V121-R124 WeakPolarHBondContact O-CB 3.32Å; V121-R124 PolarHBondContact O-N 2.96Å; V121-W139 HydrophobicContact CG1-CE3 4.09Å; V121-W139 HydrophobicContact CG1-CZ3 4.18Å |
| 122 | N | 88 | Confident | 83.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -29.1 | -176.8 | -71.5 | -35 | 0 | 0 | 0 | 113.3 | F44 I45 D118 W139 Q140 | F44-N122 HydrophobicContact CD2-CB 4.36Å; F44-N122 WeakPolarHBondContact CD2-ND2 3.35Å; F44-N122 HydrophobicContact CE2-CB 4.5Å; F44-N122 WeakPolarHBondContact CE2-ND2 2.89Å; I45-N122 PolarHBondContact N-OD1 2.92Å; I45-N122 PolarHBondContact O-ND2 3.32Å; D118-N122 VanDerWaalsContact O-CB 3.31Å; D118-N122 WeakPolarHBondContact O-CB 3.39Å; D118-N122 VanDerWaalsContact O-CG 3.24Å; D118-N122 PolarHBondContact O-N 2.97Å; D118-N122 PolarHBondContact O-ND2 2.9Å; N122-W139 PolarHBondContact O-N 2.96Å; N122-Q140 HydrophobicContact CB-CB 4.23Å; N122-Q140 PolarHBondContact O-N 3.46Å; N122-Q140 VanDerWaalsContact O-N 3.16Å |
| 123 | N | 89.4 | Confident | 83.9 | Confident | 62 Ų | 62 | 73.5 Ų | 73.5 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.1 | 177.6 | -69.4 | -67.4 | 0 | 0 | 0 | 114 | N119 V121 K138 | N119-N123 VanDerWaalsContact O-CB 3.25Å; N119-N123 WeakPolarHBondContact O-CB 3.16Å; N119-N123 PolarHBondContact O-N 3.24Å; N119-N123 PolarHBondContact O-ND2 3.3Å; V121-N123 VanDerWaalsContact C-N 3.3Å; V121-N123 PolarHBondContact O-N 3.36Å; N123-K138 WeakPolarHBondContact OD1-CD 3.11Å; N123-K138 WeakPolarHBondContact OD1-CE 3.45Å; N123-K138 PolarHBondContact OD1-NZ 3.48Å |
| 124 | R | 87.5 | Confident | 84.5 | Confident | 95 Ų | 95 | 71.2 Ų | 71.2 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | trans | -57.1 | 146.9 | 168.3 | -71.6 | -173.2 | -178.6 | -174.2 | -0.2 | 109.3 | Q120 V121 K138 W139 | Q120-R124 WeakPolarHBondContact O-CG 3.38Å; Q120-R124 PolarHBondContact O-N 3.43Å; V121-R124 WeakPolarHBondContact O-CB 3.32Å; V121-R124 PolarHBondContact O-N 2.96Å; R124-K138 CarbonylContact O-C 3.56Å; R124-K138 WeakPolarHBondContact O-CA 3.48Å; R124-W139 HydrophobicContact CB-CD2 3.66Å; R124-W139 HydrophobicContact CB-CE3 4.24Å; R124-W139 HydrophobicContact CB-CG 3.78Å; R124-W139 HydrophobicContact CB-CZ2 4.29Å; R124-W139 PolarHBondContact O-N 2.81Å | ||
| 125 | K | 90.6 | Very high | 85.3 | Confident | 125 Ų | 125 | 68.4 Ų | 68.4 | 54% | 0.543 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 149.9 | -175.7 | -56.7 | -168.1 | -176.6 | -177 | 0 | 111.2 | E136 E137 W139 | K125-E136 HydrophobicContact CB-CG 4.18Å; K125-E136 HydrophobicContact CD-CG 3.83Å; K125-E136 WeakPolarHBondContact CD-OE1 3.16Å; K125-E136 IonicContact NZ-OE1 3.97Å; K125-E136 PolarHBondContact NZ-OE1 2.85Å; K125-E136 IonicContact NZ-OE2 2.74Å; K125-E136 PolarHBondContact NZ-OE2 2.85Å; K125-E137 CarbonylContact C-O 3.6Å; K125-E137 WeakPolarHBondContact CA-O 3.25Å; K125-W139 PolarHBondContact O-NE1 2.83Å |
| 126 | S | 90 | Very high | 85.8 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 146.7 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | E137 V142 | S126-E137 PolarHBondContact N-O 2.7Å; S126-E137 PolarHBondContact O-N 3.06Å; S126-E137 PolarHBondContact OG-O 3.03Å; S126-V142 WeakPolarHBondContact OG-CG2 3.47Å |
| 127 | Y | 92.8 | Very high | 86.2 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.8 | 177.2 | -61.9 | -73.2 | 0 | 0 | 0 | 110.5 | A135 E136 I148 R149 | Y127-A135 CarbonylContact C-O 3.53Å; Y127-A135 WeakPolarHBondContact CA-O 3.46Å; Y127-E136 HydrophobicContact CD1-CB 4.41Å; Y127-E136 HydrophobicContact CE1-CB 4.36Å; Y127-E136 HydrophobicContact CE1-CG 4.29Å; Y127-I148 CarbonylContact O-C 3.58Å; Y127-I148 VanDerWaalsContact O-CA 3.26Å; Y127-I148 WeakPolarHBondContact O-CA 3.41Å; Y127-I148 WeakPolarHBondContact O-CG2 3.19Å; Y127-R149 PolarHBondContact O-N 2.97Å |
| 128 | V | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.7 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | R130 A135 E137 V142 D146 I147 I148 | V128-R130 HydrophobicContact CG1-CG 4.32Å; V128-R130 PolarHBondContact O-N 3.18Å; V128-A135 PolarHBondContact N-O 3.28Å; V128-A135 PolarHBondContact O-N 3.25Å; V128-E137 HydrophobicContact CB-CB 4.37Å; V128-E137 HydrophobicContact CB-CG 4.22Å; V128-E137 HydrophobicContact CG2-CB 3.85Å; V128-E137 HydrophobicContact CG2-CG 4.2Å; V128-V142 HydrophobicContact CG2-CG2 4.21Å; V128-D146 HydrophobicContact CG1-CB 4Å; V128-I147 WeakPolarHBondContact CA-O 3.49Å; V128-I148 HydrophobicContact CG2-CG1 4.4Å |
| 129 | I | 90 | Very high | 87.8 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.6 | 174.8 | -58.2 | 177.8 | 0 | 0 | 0 | 109.1 | K133 L134 I147 L201 I204 F255 | I129-K133 WeakPolarHBondContact CA-O 3.45Å; I129-L134 HydrophobicContact CG1-CD2 4.3Å; I129-I147 HydrophobicContact CB-CB 4.4Å; I129-I147 HydrophobicContact CD1-CB 4.11Å; I129-I147 HydrophobicContact CD1-CG2 3.74Å; I129-I147 HydrophobicContact CG1-CB 4.43Å; I129-I147 HydrophobicContact CG1-CG2 4.42Å; I129-I147 PolarHBondContact N-O 2.74Å; I129-L201 HydrophobicContact CD1-CD2 4.43Å; I129-I204 HydrophobicContact CD1-CB 4.03Å; I129-I204 HydrophobicContact CD1-CG2 3.34Å; I129-F255 HydrophobicContact CD1-CD1 3.85Å; I129-F255 HydrophobicContact CD1-CE1 3.77Å; I129-F255 HydrophobicContact CG1-CE1 4.43Å |
| 130 | R | 84.4 | Confident | 88.1 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 27% | 0.268 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125 | 175.1 | -64.1 | -66.7 | -168.5 | -155.2 | -7.9 | 108.7 | V128 G132 K133 A135 D146 | V128-R130 HydrophobicContact CG1-CG 4.32Å; V128-R130 PolarHBondContact O-N 3.18Å; R130-G132 PolarHBondContact O-N 2.91Å; R130-K133 PolarHBondContact N-O 3.2Å; R130-K133 PolarHBondContact O-N 3.46Å; R130-K133 VanDerWaalsContact O-O 3.11Å; R130-A135 HydrophobicContact CB-CB 4.2Å; R130-A135 HydrophobicContact CG-CB 4.08Å; R130-D146 IonicContact CZ-OD1 3.76Å; R130-D146 IonicContact CZ-OD2 2.81Å; R130-D146 IonicContact NH1-OD1 3.12Å; R130-D146 PolarHBondContact NH1-OD1 3.34Å; R130-D146 IonicContact NH1-OD2 2.83Å; R130-D146 VanDerWaalsContact NH2-CG 3.33Å; R130-D146 IonicContact NH2-OD1 2.66Å; R130-D146 PolarHBondContact NH2-OD1 2.96Å; R130-D146 IonicContact NH2-OD2 3.65Å; R130-D146 PolarHBondContact NH2-OD2 3.19Å |
| 131 | N | 78.1 | Confident | 88.4 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 91% | 0.909 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 40.3 | 178.5 | -57 | -23 | 0 | 0 | 0 | 113.4 | K133 | N131-K133 PolarHBondContact O-N 2.89Š|
| 132 | G | 76.1 | Confident | 88.9 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 7.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R130 | R130-G132 PolarHBondContact O-N 2.91Š|
| 133 | K | 84.4 | Confident | 89.1 | Confident | 159 Ų | 159 | 64 Ų | 64 | 69% | 0.691 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149.1 | 175.4 | -65.4 | -177.1 | -179.9 | 179.9 | 0 | 110.8 | I129 R130 N131 A135 | I129-K133 WeakPolarHBondContact CA-O 3.45Å; R130-K133 PolarHBondContact N-O 3.2Å; R130-K133 PolarHBondContact O-N 3.46Å; R130-K133 VanDerWaalsContact O-O 3.11Å; N131-K133 PolarHBondContact O-N 2.89Å; K133-A135 PolarHBondContact O-N 3.41Å |
| 134 | L | 88.3 | Confident | 89.3 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 112.2 | 168.8 | -77.1 | 157.9 | 0 | 0 | 0 | 108.9 | I129 R149 L201 | I129-L134 HydrophobicContact CG1-CD2 4.3Å; L134-R149 HydrophobicContact CD2-CB 3.54Å; L134-R149 VanDerWaalsContact CD2-CD 3.49Å; L134-R149 HydrophobicContact CD2-CG 4.18Å; L134-L201 HydrophobicContact CD1-CD1 3.94Å; L134-L201 HydrophobicContact CD1-CD2 3.78Å; L134-L201 HydrophobicContact CD1-CG 4.46Å; L134-L201 HydrophobicContact CD2-CD2 4.31Å; L134-L201 HydrophobicContact CG-CD1 4.28Å; L134-L201 HydrophobicContact CG-CD2 3.75Å |
| 135 | A | 90 | Very high | 89.6 | Confident | 30 Ų | 30 | 57 Ų | 57 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y127 V128 R130 K133 E137 | Y127-A135 CarbonylContact C-O 3.53Å; Y127-A135 WeakPolarHBondContact CA-O 3.46Å; V128-A135 PolarHBondContact N-O 3.28Å; V128-A135 PolarHBondContact O-N 3.25Å; R130-A135 HydrophobicContact CB-CB 4.2Å; R130-A135 HydrophobicContact CG-CB 4.08Å; K133-A135 PolarHBondContact O-N 3.41Å; A135-E137 PolarHBondContact O-N 3.46Å |
| 136 | E | 92 | Very high | 89.7 | Confident | 101 Ų | 101 | 51.4 Ų | 51.4 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 116.3 | 174.1 | -166.3 | -173.6 | -151.1 | 0 | 0 | 109.1 | K125 Y127 | K125-E136 HydrophobicContact CB-CG 4.18Å; K125-E136 HydrophobicContact CD-CG 3.83Å; K125-E136 WeakPolarHBondContact CD-OE1 3.16Å; K125-E136 IonicContact NZ-OE1 3.97Å; K125-E136 PolarHBondContact NZ-OE1 2.85Å; K125-E136 IonicContact NZ-OE2 2.74Å; K125-E136 PolarHBondContact NZ-OE2 2.85Å; Y127-E136 HydrophobicContact CD1-CB 4.41Å; Y127-E136 HydrophobicContact CE1-CB 4.36Å; Y127-E136 HydrophobicContact CE1-CG 4.29Å |
| 137 | E | 92 | Very high | 89.9 | Confident | 53 Ų | 53 | 51 Ų | 51 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.2 | -177.3 | -78.2 | -68 | 171.9 | 0 | 0 | 111.6 | K125 S126 V128 A135 N141 | K125-E137 CarbonylContact C-O 3.6Å; K125-E137 WeakPolarHBondContact CA-O 3.25Å; S126-E137 PolarHBondContact N-O 2.7Å; S126-E137 PolarHBondContact O-N 3.06Å; S126-E137 PolarHBondContact OG-O 3.03Å; V128-E137 HydrophobicContact CB-CB 4.37Å; V128-E137 HydrophobicContact CB-CG 4.22Å; V128-E137 HydrophobicContact CG2-CB 3.85Å; V128-E137 HydrophobicContact CG2-CG 4.2Å; A135-E137 PolarHBondContact O-N 3.46Å; E137-N141 WeakPolarHBondContact OE2-CB 3.19Å; E137-N141 PolarHBondContact OE2-ND2 2.99Å |
| 138 | K | 93.1 | Very high | 89.9 | Confident | 89 Ų | 89 | 47.5 Ų | 47.5 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 148.4 | 172.6 | -64.5 | 179.3 | 175.4 | -168.4 | 0 | 110 | N123 R124 Q140 N141 | N123-K138 WeakPolarHBondContact OD1-CD 3.11Å; N123-K138 WeakPolarHBondContact OD1-CE 3.45Å; N123-K138 PolarHBondContact OD1-NZ 3.48Å; R124-K138 CarbonylContact O-C 3.56Å; R124-K138 WeakPolarHBondContact O-CA 3.48Å; K138-Q140 HydrophobicContact CB-CG 3.97Å; K138-Q140 PolarHBondContact O-N 3Å; K138-Q140 VanDerWaalsContact O-N 3.16Å; K138-N141 WeakPolarHBondContact O-CB 3.49Å; K138-N141 PolarHBondContact O-N 3.39Å |
| 139 | W | 92.4 | Very high | 90 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -53.9 | -39.3 | 178.9 | -82 | 21.6 | 0 | 0 | 0 | 112.7 | N43 V121 N122 R124 K125 N141 V142 F155 A157 | N43-W139 WeakPolarHBondContact CB-O 3.08Å; N43-W139 PolarHBondContact ND2-O 3.35Å; V121-W139 HydrophobicContact CG1-CE3 4.09Å; V121-W139 HydrophobicContact CG1-CZ3 4.18Å; N122-W139 PolarHBondContact O-N 2.96Å; R124-W139 HydrophobicContact CB-CD2 3.66Å; R124-W139 HydrophobicContact CB-CE3 4.24Å; R124-W139 HydrophobicContact CB-CG 3.78Å; R124-W139 HydrophobicContact CB-CZ2 4.29Å; R124-W139 PolarHBondContact O-N 2.81Å; K125-W139 PolarHBondContact O-NE1 2.83Å; W139-N141 PolarHBondContact O-N 2.86Å; W139-V142 WeakPolarHBondContact O-CB 3.47Å; W139-V142 PolarHBondContact O-N 3.48Å; W139-F155 HydrophobicContact CH2-CB 3.79Å; W139-F155 HydrophobicContact CZ2-CB 3.81Å; W139-A157 HydrophobicContact CD2-CB 3.77Å; W139-A157 VanDerWaalsContact CE2-CB 3.48Å; W139-A157 HydrophobicContact CE3-CB 4.43Å; W139-A157 HydrophobicContact CG-CB 3.99Å; W139-A157 HydrophobicContact CZ2-CB 3.9Å |
| 140 | Q | 91.9 | Very high | 90.1 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 29% | 0.29 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -61.8 | -22.9 | 176.7 | 65.1 | 178.1 | 21.5 | 0 | 0 | 114.7 | F44 N122 K138 | F44-Q140 HydrophobicContact CD2-CB 4.3Å; N122-Q140 HydrophobicContact CB-CB 4.23Å; N122-Q140 PolarHBondContact O-N 3.46Å; N122-Q140 VanDerWaalsContact O-N 3.16Å; K138-Q140 HydrophobicContact CB-CG 3.97Å; K138-Q140 PolarHBondContact O-N 3Å; K138-Q140 VanDerWaalsContact O-N 3.16Å |
| 141 | N | 92.6 | Very high | 90.4 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -90.8 | -9.1 | -179.4 | -66.1 | -9.2 | 0 | 0 | 0 | 112.7 | E137 K138 W139 | E137-N141 WeakPolarHBondContact OE2-CB 3.19Å; E137-N141 PolarHBondContact OE2-ND2 2.99Å; K138-N141 WeakPolarHBondContact O-CB 3.49Å; K138-N141 PolarHBondContact O-N 3.39Å; W139-N141 PolarHBondContact O-N 2.86Å |
| 142 | V | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | trans | -69.9 | 129 | 176.9 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | N43 S126 V128 W139 I148 V258 | N43-V142 HydrophobicContact CB-CB 4.37Å; N43-V142 VanDerWaalsContact CB-O 3.22Å; N43-V142 WeakPolarHBondContact CB-O 3.49Å; S126-V142 WeakPolarHBondContact OG-CG2 3.47Å; V128-V142 HydrophobicContact CG2-CG2 4.21Å; W139-V142 WeakPolarHBondContact O-CB 3.47Å; W139-V142 PolarHBondContact O-N 3.48Å; V142-I148 HydrophobicContact CG1-CD1 3.67Å; V142-I148 HydrophobicContact CG2-CD1 4.35Å; V142-V258 HydrophobicContact CG1-CG2 3.62Å | ||
| 143 | Q | 92.3 | Very high | 91.4 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 27% | 0.271 | 22% | 0.222 | S | C | . | . | trans | -118.2 | 162.2 | -179.3 | -60 | -173.9 | -58.4 | 0 | 0 | 111.6 | K32 G145 D146 V258 | K32-Q143 VanDerWaalsContact NZ-OE1 3.08Å; Q143-G145 PolarHBondContact O-N 3.09Å; Q143-D146 PolarHBondContact N-OD2 2.99Å; Q143-D146 WeakPolarHBondContact O-CB 3.17Å; Q143-D146 PolarHBondContact O-N 3.49Å; Q143-V258 WeakPolarHBondContact O-CB 3.15Å | ||
| 144 | V | 93.5 | Very high | 91.6 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 131.7 | 174.2 | 177.4 | 0 | 0 | 0 | 0 | 110 | L27 N35 Y40 I259 A261 | L27-V144 HydrophobicContact CB-CG1 3.88Å; L27-V144 HydrophobicContact CD1-CG1 4.36Å; L27-V144 HydrophobicContact CD2-CG1 3.79Å; L27-V144 HydrophobicContact CG-CG1 4.21Å; N35-V144 PolarHBondContact ND2-O 3Å; Y40-V144 HydrophobicContact CD2-CB 3.91Å; Y40-V144 HydrophobicContact CD2-CG1 3.85Å; Y40-V144 HydrophobicContact CD2-CG2 4.21Å; Y40-V144 HydrophobicContact CE2-CG1 4.13Å; Y40-V144 HydrophobicContact CG-CB 4.37Å; Y40-V144 HydrophobicContact CG-CG1 4.47Å; Y40-V144 HydrophobicContact CG-CG2 4.16Å; V144-I259 WeakPolarHBondContact CG1-O 3.47Å; V144-A261 HydrophobicContact CG2-CB 3.97Å |
| 145 | G | 92.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -3.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N30 Q143 V258 | N30-G145 PolarHBondContact N-O 2.95Å; Q143-G145 PolarHBondContact O-N 3.09Å; G145-V258 PolarHBondContact N-O 3.36Å |
| 146 | D | 93.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | trans | -68.7 | 144.2 | 169.8 | -74.7 | -19.7 | 0 | 0 | 0 | 110.6 | V128 R130 Q143 V257 V258 | V128-D146 HydrophobicContact CG1-CB 4Å; R130-D146 IonicContact CZ-OD1 3.76Å; R130-D146 IonicContact CZ-OD2 2.81Å; R130-D146 IonicContact NH1-OD1 3.12Å; R130-D146 PolarHBondContact NH1-OD1 3.34Å; R130-D146 IonicContact NH1-OD2 2.83Å; R130-D146 VanDerWaalsContact NH2-CG 3.33Å; R130-D146 IonicContact NH2-OD1 2.66Å; R130-D146 PolarHBondContact NH2-OD1 2.96Å; R130-D146 IonicContact NH2-OD2 3.65Å; R130-D146 PolarHBondContact NH2-OD2 3.19Å; Q143-D146 PolarHBondContact N-OD2 2.99Å; Q143-D146 WeakPolarHBondContact O-CB 3.17Å; Q143-D146 PolarHBondContact O-N 3.49Å; D146-V257 WeakPolarHBondContact O-CA 3.43Å; D146-V258 HydrophobicContact CB-CG2 4.36Å; D146-V258 WeakPolarHBondContact O-CG2 3.43Å; D146-V258 PolarHBondContact O-N 2.91Å | ||
| 147 | I | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.7 | 173.4 | -51.8 | -173.2 | 0 | 0 | 0 | 109.4 | N30 V128 I129 L163 I204 F207 F255 G256 V257 | N30-I147 WeakPolarHBondContact ND2-CD1 3.26Å; V128-I147 WeakPolarHBondContact CA-O 3.49Å; I129-I147 HydrophobicContact CB-CB 4.4Å; I129-I147 HydrophobicContact CD1-CB 4.11Å; I129-I147 HydrophobicContact CD1-CG2 3.74Å; I129-I147 HydrophobicContact CG1-CB 4.43Å; I129-I147 HydrophobicContact CG1-CG2 4.42Å; I129-I147 PolarHBondContact N-O 2.74Å; I147-L163 HydrophobicContact CD1-CD1 4.16Å; I147-L163 HydrophobicContact CG2-CD1 4.25Å; I147-I204 HydrophobicContact CD1-CG2 4Å; I147-I204 WeakPolarHBondContact CD1-O 3.36Å; I147-I204 HydrophobicContact CG2-CG2 3.77Å; I147-F207 HydrophobicContact CD1-CB 4.17Å; I147-F207 HydrophobicContact CD1-CD1 4.19Å; I147-F255 HydrophobicContact CG2-CD1 4.41Å; I147-G256 WeakPolarHBondContact CA-O 3.42Å; I147-V257 HydrophobicContact CG1-CG2 4.18Å |
| 148 | I | 93.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.7 | -177.8 | -51.9 | -176.6 | 0 | 0 | 0 | 109.8 | Y127 V128 V142 M150 A157 L160 F255 G256 V258 | Y127-I148 CarbonylContact O-C 3.58Å; Y127-I148 VanDerWaalsContact O-CA 3.26Å; Y127-I148 WeakPolarHBondContact O-CA 3.41Å; Y127-I148 WeakPolarHBondContact O-CG2 3.19Å; V128-I148 HydrophobicContact CG2-CG1 4.4Å; V142-I148 HydrophobicContact CG1-CD1 3.67Å; V142-I148 HydrophobicContact CG2-CD1 4.35Å; I148-M150 HydrophobicContact CG2-CG 4.04Å; I148-A157 HydrophobicContact CD1-CB 4.43Å; I148-L160 HydrophobicContact CB-CD1 4.45Å; I148-L160 HydrophobicContact CD1-CD2 3.96Å; I148-F255 WeakPolarHBondContact O-CA 3.45Å; I148-G256 PolarHBondContact N-O 3.27Å; I148-G256 PolarHBondContact O-N 3.45Å; I148-V258 HydrophobicContact CD1-CG2 3.55Å; I148-V258 HydrophobicContact CG1-CG2 3.95Å |
| 149 | R | 93.9 | Very high | 91.7 | Very high | 44 Ų | 44 | 28.8 Ų | 28.8 | 17% | 0.166 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127 | 165.3 | -174.7 | 179 | -179.6 | -107.9 | 2.1 | 109.2 | Y127 L134 E151 D199 F255 | Y127-R149 PolarHBondContact O-N 2.97Å; L134-R149 HydrophobicContact CD2-CB 3.54Å; L134-R149 VanDerWaalsContact CD2-CD 3.49Å; L134-R149 HydrophobicContact CD2-CG 4.18Å; R149-E151 IonicContact CZ-OE1 3.27Å; R149-E151 IonicContact NH1-OE1 3.54Å; R149-E151 PolarHBondContact NH1-OE1 3.36Å; R149-E151 IonicContact NH2-OE1 2.64Å; R149-D199 IonicContact NE-OD1 2.67Å; R149-F255 HydrophobicContact CB-CD1 3.81Å; R149-F255 HydrophobicContact CB-CE1 3.53Å; R149-F255 HydrophobicContact CB-CZ 4.17Å; R149-F255 HydrophobicContact CG-CD1 4.18Å; R149-F255 HydrophobicContact CG-CE1 3.69Å; R149-F255 HydrophobicContact CG-CE2 4.33Å; R149-F255 HydrophobicContact CG-CZ 3.78Å |
| 150 | M | 92.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.7 | 177.1 | -59.4 | -174 | -59.6 | 0 | 0 | 109.4 | I148 V156 L160 L242 L248 W253 C254 | I148-M150 HydrophobicContact CG2-CG 4.04Å; M150-V156 HydrophobicContact CE-CG2 4.04Å; M150-V156 HydrophobicContact SD-CB 4.23Å; M150-V156 HydrophobicContact SD-CG1 4.28Å; M150-V156 HydrophobicContact SD-CG2 3.79Å; M150-L160 HydrophobicContact CE-CD1 3.67Å; M150-L160 HydrophobicContact SD-CD1 3.57Å; M150-L160 VanDerWaalsContact SD-CD1 3.57Å; M150-L242 HydrophobicContact CE-CD1 3.38Å; M150-L248 HydrophobicContact CB-CD2 4.18Å; M150-W253 CarbonylContact O-C 3.52Å; M150-W253 WeakPolarHBondContact O-CA 3.39Å; M150-C254 WeakPolarHBondContact CE-SG 3.09Å; M150-C254 PolarHBondContact N-O 3.12Å; M150-C254 PolarHBondContact O-N 2.98Å |
| 151 | E | 91.5 | Very high | 92 | Very high | 65 Ų | 65 | 25.3 Ų | 25.3 | 30% | 0.304 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 165.4 | 176.6 | -59.3 | -171.1 | 157.8 | 0 | 0 | 110 | R149 D153 N154 L248 K252 | R149-E151 IonicContact CZ-OE1 3.27Å; R149-E151 IonicContact NH1-OE1 3.54Å; R149-E151 PolarHBondContact NH1-OE1 3.36Å; R149-E151 IonicContact NH2-OE1 2.64Å; E151-D153 PolarHBondContact O-N 3.3Å; E151-N154 PolarHBondContact N-ND2 3.08Å; E151-N154 VanDerWaalsContact O-CB 3.28Å; E151-N154 WeakPolarHBondContact O-CB 3.46Å; E151-N154 PolarHBondContact O-N 2.99Å; E151-N154 VanDerWaalsContact O-N 3.14Å; E151-L248 WeakPolarHBondContact O-CD2 3.33Å; E151-K252 WeakPolarHBondContact CA-O 3.4Å |
| 152 | N | 88.4 | Confident | 92.1 | Very high | 54 Ų | 54 | 22 Ų | 22 | 29% | 0.289 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 139.5 | 177.7 | -164.6 | 64.3 | 0 | 0 | 0 | 110.9 | N154 R249 N250 T251 K252 | N152-N154 PolarHBondContact O-N 3Å; N152-R249 VanDerWaalsContact OD1-C 3.28Å; N152-R249 WeakPolarHBondContact OD1-CA 3.19Å; N152-N250 PolarHBondContact OD1-N 2.78Å; N152-T251 WeakPolarHBondContact CA-O 3.3Å; N152-T251 VanDerWaalsContact CB-O 3.24Å; N152-T251 WeakPolarHBondContact CB-O 3.09Å; N152-T251 PolarHBondContact OD1-N 2.62Å; N152-T251 PolarHBondContact OD1-O 3Å; N152-K252 PolarHBondContact N-O 2.76Å; N152-K252 VanDerWaalsContact N-O 3.15Å |
| 153 | D | 85.3 | Confident | 92.2 | Very high | 79 Ų | 79 | 22 Ų | 22 | 42% | 0.422 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 7.9 | -177.7 | -49.6 | -51.1 | 0 | 0 | 0 | 115.6 | E151 L248 R249 | E151-D153 PolarHBondContact O-N 3.3Å; D153-L248 VanDerWaalsContact CA-O 3.24Å; D153-L248 WeakPolarHBondContact CA-O 3.43Å; D153-L248 PolarHBondContact N-O 3.21Å; D153-R249 VanDerWaalsContact OD1-CD 3.24Å; D153-R249 WeakPolarHBondContact OD1-CD 3.33Å; D153-R249 IonicContact OD1-CZ 3.42Å; D153-R249 IonicContact OD1-NE 2.66Å; D153-R249 IonicContact OD1-NH1 3Å; D153-R249 PolarHBondContact OD1-NH1 2.78Å |
| 154 | N | 88.6 | Confident | 92.3 | Very high | 56 Ų | 56 | 19.3 Ų | 19.3 | 30% | 0.299 | 10% | 0.095 | S | C | . | . | P | Polyproline II helix | trans | -81.4 | 143.5 | 173.6 | -71 | 5.3 | 0 | 0 | 0 | 112.3 | E151 N152 L248 | E151-N154 PolarHBondContact N-ND2 3.08Å; E151-N154 VanDerWaalsContact O-CB 3.28Å; E151-N154 WeakPolarHBondContact O-CB 3.46Å; E151-N154 PolarHBondContact O-N 2.99Å; E151-N154 VanDerWaalsContact O-N 3.14Å; N152-N154 PolarHBondContact O-N 3Å; N154-L248 PolarHBondContact O-N 3.29Å |
| 155 | F | 88.4 | Confident | 92.1 | Very high | 73 Ų | 73 | 19.3 Ų | 19.3 | 32% | 0.32 | 10% | 0.096 | S | C | . | . | B | Isolated β-bridge | trans | -74 | 140.2 | 168.7 | -73.3 | -89.3 | 0 | 0 | 0 | 111.5 | W139 A157 E178 V247 | W139-F155 HydrophobicContact CH2-CB 3.79Å; W139-F155 HydrophobicContact CZ2-CB 3.81Å; F155-A157 PolarHBondContact O-N 2.8Å; F155-E178 HydrophobicContact CE1-CG 4.47Å; F155-E178 WeakPolarHBondContact CE1-OE1 3.33Å; F155-V247 HydrophobicContact CD1-CG2 3.59Å; F155-V247 HydrophobicContact CE1-CG2 3.42Å; F155-V247 VanDerWaalsContact CE1-CG2 3.42Å; F155-V247 HydrophobicContact CE2-CG2 4.49Å; F155-V247 HydrophobicContact CG-CG2 4.21Å; F155-V247 HydrophobicContact CZ-CG2 3.91Å |
| 156 | V | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 120.1 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | M150 A158 L160 L242 L243 G245 C246 | M150-V156 HydrophobicContact CE-CG2 4.04Å; M150-V156 HydrophobicContact SD-CB 4.23Å; M150-V156 HydrophobicContact SD-CG1 4.28Å; M150-V156 HydrophobicContact SD-CG2 3.79Å; V156-A158 WeakPolarHBondContact CG1-O 3.45Å; V156-L160 HydrophobicContact CG1-CD1 4.03Å; V156-L160 HydrophobicContact CG1-CG 4.04Å; V156-L242 HydrophobicContact CG1-CB 4.32Å; V156-L242 HydrophobicContact CG2-CB 4.38Å; V156-L243 WeakPolarHBondContact CB-O 3.23Å; V156-L243 WeakPolarHBondContact CG1-O 3.42Å; V156-G245 PolarHBondContact O-N 3.42Å; V156-C246 HydrophobicContact CB-CB 4.3Å; V156-C246 HydrophobicContact CG2-CB 3.82Å; V156-C246 WeakPolarHBondContact CG2-O 3.49Å; V156-C246 PolarHBondContact N-O 3.44Å |
| 157 | A | 90.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | trans | -75.9 | -26 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | N43 W139 I148 F155 R244 | N43-A157 PolarHBondContact ND2-O 2.72Å; W139-A157 HydrophobicContact CD2-CB 3.77Å; W139-A157 VanDerWaalsContact CE2-CB 3.48Å; W139-A157 HydrophobicContact CE3-CB 4.43Å; W139-A157 HydrophobicContact CG-CB 3.99Å; W139-A157 HydrophobicContact CZ2-CB 3.9Å; I148-A157 HydrophobicContact CD1-CB 4.43Å; F155-A157 PolarHBondContact O-N 2.8Å; A157-R244 PolarHBondContact O-NH1 3.47Å | ||
| 158 | A | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -159.8 | 173 | -172 | 0 | 0 | 0 | 0 | 0 | 108.9 | V156 L160 V258 F260 | V156-A158 WeakPolarHBondContact CG1-O 3.45Å; A158-L160 HydrophobicContact CB-CD2 4.2Å; A158-L160 WeakPolarHBondContact O-CG 3.25Å; A158-L160 PolarHBondContact O-N 2.91Å; A158-V258 HydrophobicContact CB-CG1 3.79Å; A158-V258 HydrophobicContact CB-CG2 4.4Å; A158-F260 WeakPolarHBondContact CB-O 3.48Å |
| 159 | D | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.2 | 176.5 | -61.1 | -19.1 | 0 | 0 | 0 | 109.2 | L242 L243 R244 I259 F260 T265 K266 | D159-L242 CarbonylContact C-O 3.58Å; D159-L242 WeakPolarHBondContact CA-O 3.44Å; D159-L243 HydrophobicContact CB-CD2 4.4Å; D159-L243 WeakPolarHBondContact OD1-CA 3.21Å; D159-R244 PolarHBondContact OD1-N 3.12Å; D159-I259 PolarHBondContact O-N 3.3Å; D159-F260 HydrophobicContact CB-CB 3.97Å; D159-F260 HydrophobicContact CB-CD2 3.99Å; D159-F260 HydrophobicContact CB-CG 4.44Å; D159-F260 PolarHBondContact N-O 2.86Å; D159-F260 PolarHBondContact O-N 2.88Å; D159-T265 WeakPolarHBondContact OD2-CA 3.43Å; D159-K266 PolarHBondContact OD2-N 2.94Å |
| 160 | L | 95 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.5 | -170.2 | -47.8 | -178.9 | 0 | 0 | 0 | 112.7 | I148 M150 V156 A158 V241 L242 V257 V258 | I148-L160 HydrophobicContact CB-CD1 4.45Å; I148-L160 HydrophobicContact CD1-CD2 3.96Å; M150-L160 HydrophobicContact CE-CD1 3.67Å; M150-L160 HydrophobicContact SD-CD1 3.57Å; M150-L160 VanDerWaalsContact SD-CD1 3.57Å; V156-L160 HydrophobicContact CG1-CD1 4.03Å; V156-L160 HydrophobicContact CG1-CG 4.04Å; A158-L160 HydrophobicContact CB-CD2 4.2Å; A158-L160 WeakPolarHBondContact O-CG 3.25Å; A158-L160 PolarHBondContact O-N 2.91Å; L160-V241 CarbonylContact O-C 3.58Å; L160-V241 VanDerWaalsContact O-CA 3.29Å; L160-V241 WeakPolarHBondContact O-CA 3.46Å; L160-V241 WeakPolarHBondContact O-CG1 3.43Å; L160-L242 HydrophobicContact CB-CB 4.37Å; L160-L242 PolarHBondContact N-O 2.98Å; L160-L242 PolarHBondContact O-N 3.38Å; L160-V257 CarbonylContact C-O 3.51Å; L160-V257 WeakPolarHBondContact CA-O 3.47Å; L160-V258 HydrophobicContact CD2-CB 4.08Å; L160-V258 HydrophobicContact CD2-CG2 3.48Å; L160-V258 VanDerWaalsContact CD2-CG2 3.48Å |
| 161 | L | 95.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 122.3 | 162.5 | 179.9 | 62.9 | 0 | 0 | 0 | 109.9 | L163 I211 L236 K240 G256 V257 I259 | L161-L163 PolarHBondContact O-N 3.4Å; L161-I211 HydrophobicContact CB-CD1 4.5Å; L161-I211 HydrophobicContact CD2-CD1 3.59Å; L161-I211 HydrophobicContact CD2-CG1 4.07Å; L161-L236 HydrophobicContact CD1-CD1 4.08Å; L161-L236 HydrophobicContact CD1-CD2 3.75Å; L161-L236 HydrophobicContact CD1-CG 4.44Å; L161-L236 HydrophobicContact CD2-CD1 3.98Å; L161-L236 HydrophobicContact CD2-CD2 4.26Å; L161-K240 HydrophobicContact CD1-CB 4.03Å; L161-G256 CarbonylContact O-C 3.59Å; L161-G256 WeakPolarHBondContact O-CA 3.32Å; L161-V257 HydrophobicContact CB-CB 4.45Å; L161-V257 PolarHBondContact N-O 2.94Å; L161-V257 PolarHBondContact O-N 3.09Å; L161-I259 HydrophobicContact CB-CD1 3.9Å; L161-I259 HydrophobicContact CB-CG1 4.18Å |
| 162 | L | 94.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.3 | 178.2 | 179.5 | 65.2 | 0 | 0 | 0 | 111.5 | C172 R188 A190 K240 L242 C254 | L162-C172 VanDerWaalsContact CD2-SG 3.57Å; L162-R188 HydrophobicContact CD2-CB 4.21Å; L162-A190 HydrophobicContact CD2-CB 4.13Å; L162-A190 HydrophobicContact CG-CB 3.92Å; L162-K240 WeakPolarHBondContact CB-O 3.36Å; L162-K240 PolarHBondContact N-O 3.01Å; L162-L242 HydrophobicContact CB-CG 4.46Å; L162-L242 HydrophobicContact CD1-CD1 4.22Å; L162-C254 HydrophobicContact CD1-CB 3.84Å |
| 163 | L | 93.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -51.4 | 179.9 | -66.8 | -177.4 | 0 | 0 | 0 | 113.1 | I147 L161 A190 T194 A195 M197 F207 F255 V257 | I147-L163 HydrophobicContact CD1-CD1 4.16Å; I147-L163 HydrophobicContact CG2-CD1 4.25Å; L161-L163 PolarHBondContact O-N 3.4Å; L163-A190 WeakPolarHBondContact O-CB 3.35Å; L163-T194 HydrophobicContact CD2-CG2 4.26Å; L163-T194 CarbonylContact O-C 3.28Å; L163-T194 WeakPolarHBondContact O-CB 3.42Å; L163-T194 PolarHBondContact O-OG1 3.31Å; L163-A195 PolarHBondContact O-N 3.11Å; L163-M197 HydrophobicContact CB-CE 4.29Å; L163-M197 HydrophobicContact CD1-CE 4.46Å; L163-F207 HydrophobicContact CD1-CD1 4.03Å; L163-F207 HydrophobicContact CD1-CE1 4.25Å; L163-F207 HydrophobicContact CD1-CG 4.39Å; L163-F207 HydrophobicContact CD2-CD1 4.36Å; L163-F207 HydrophobicContact CD2-CE1 3.8Å; L163-F207 HydrophobicContact CD2-CE2 4.21Å; L163-F207 HydrophobicContact CD2-CZ 3.7Å; L163-F255 PolarHBondContact N-O 3.46Å; L163-V257 HydrophobicContact CD1-CG2 3.5Å; L163-V257 VanDerWaalsContact CD1-CG2 3.5Å; L163-V257 HydrophobicContact CD2-CG2 3.9Å; L163-V257 HydrophobicContact CG-CG2 3.77Å |
| 164 | S | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 156.7 | -178.6 | 68.1 | 0 | 0 | 0 | 0 | 110.6 | K198 C254 F255 | S164-K198 PolarHBondContact OG-O 2.56Å; S164-C254 CarbonylContact O-C 3.58Å; S164-C254 VanDerWaalsContact O-CA 3.31Å; S164-C254 WeakPolarHBondContact O-CA 3.38Å; S164-C254 WeakPolarHBondContact O-CB 3.44Å; S164-F255 PolarHBondContact O-N 2.77Å; S164-F255 WeakPolarHBondContact OG-CD2 3.45Å |
| 165 | S | 91.4 | Very high | 87.8 | Confident | 11 Ų | 11 | 21.9 Ų | 21.9 | 8% | 0.077 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 158.4 | -178.9 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | E167 L171 T251 W253 | S165-E167 VanDerWaalsContact C-N 3.3Å; S165-E167 PolarHBondContact O-N 2.85Å; S165-L171 WeakPolarHBondContact CB-O 3.43Å; S165-L171 PolarHBondContact OG-O 2.9Å; S165-T251 WeakPolarHBondContact OG-CG2 3.01Å; S165-W253 VanDerWaalsContact C-CH2 3.49Å; S165-W253 VanDerWaalsContact C-CZ3 3.48Å; S165-W253 WeakPolarHBondContact O-CH2 3.32Å; S165-W253 PolarHBondContact OG-O 2.59Å |
| 166 | S | 89.1 | Confident | 87.1 | Confident | 34 Ų | 34 | 18.6 Ų | 18.6 | 24% | 0.238 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -67 | -24.7 | 175.9 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | K252 W253 | S166-K252 PolarHBondContact OG-N 2.73Å; S166-W253 PolarHBondContact N-O 3.07Å; S166-W253 PolarHBondContact OG-N 3.48Å; S166-W253 PolarHBondContact OG-O 3.5Å |
| 167 | E | 83 | Confident | 85.8 | Confident | 36 Ų | 36 | 18.9 Ų | 18.9 | 17% | 0.168 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -83.1 | 153.7 | -177.9 | -57.3 | -60.3 | 136.2 | 0 | 0 | 111.9 | S165 G170 L171 T251 | S165-E167 VanDerWaalsContact C-N 3.3Å; S165-E167 PolarHBondContact O-N 2.85Å; E167-G170 PolarHBondContact O-N 3.48Å; E167-L171 HydrophobicContact CB-CB 4.25Å; E167-L171 WeakPolarHBondContact CB-O 3.38Å; E167-T251 HydrophobicContact CG-CG2 4.33Å |
| 168 | P | 74.5 | Confident | 84.7 | Confident | 76 Ų | 76 | 20.8 Ų | 20.8 | 49% | 0.494 | 11% | 0.11 | S | C | . | . | G | 310 helix | trans | -51.4 | 146.2 | 176.9 | -26.2 | 35.1 | 0 | 0 | 0 | 112.7 | G170 L171 | P168-G170 PolarHBondContact O-N 2.88Å; P168-G170 VanDerWaalsContact O-N 3.13Å; P168-L171 PolarHBondContact O-N 3.29Å |
| 169 | H | 75.7 | Confident | 83.5 | Confident | 121 Ų | 121 | 21.5 Ų | 21.5 | 56% | 0.56 | 11% | 0.114 | S | C | * | . | G | 310 helix | trans | 60.2 | 17.2 | -178.9 | -51.8 | -77.5 | 0 | 0 | 0 | 115.5 | L171 Q189 | H169-L171 VanDerWaalsContact C-N 3.32Å; H169-Q189 PolarHBondContact O-NE2 2.91Å |
| 170 | G | 80.9 | Confident | 82 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | 71.6 | 26.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E167 P168 A190 | E167-G170 PolarHBondContact O-N 3.48Å; P168-G170 PolarHBondContact O-N 2.88Å; P168-G170 VanDerWaalsContact O-N 3.13Å; G170-A190 WeakPolarHBondContact O-CB 3.39Å; G170-A190 PolarHBondContact O-N 3.37Å |
| 171 | L | 85.1 | Confident | 80 | Confident | 21 Ų | 21 | 22.7 Ų | 22.7 | 11% | 0.11 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.3 | 176.9 | -70.2 | 168.3 | 0 | 0 | 0 | 111.2 | S165 E167 P168 H169 R188 Q189 I1211 | S165-L171 WeakPolarHBondContact CB-O 3.43Å; S165-L171 PolarHBondContact OG-O 2.9Å; E167-L171 HydrophobicContact CB-CB 4.25Å; E167-L171 WeakPolarHBondContact CB-O 3.38Å; P168-L171 PolarHBondContact O-N 3.29Å; H169-L171 VanDerWaalsContact C-N 3.32Å; L171-R188 CarbonylContact C-O 3.52Å; L171-R188 WeakPolarHBondContact CA-O 3.42Å; L171-Q189 HydrophobicContact CD2-CB 3.91Å; L171-Q189 HydrophobicContact CD2-CG 3.9Å; L171-I1211 HydrophobicContact CD1-CG2 4.08Å |
| 172 | C | 85.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 155.8 | 161 | 71.6 | 0 | 0 | 0 | 0 | 110 | L162 A187 R188 L248 T251 | L162-C172 VanDerWaalsContact CD2-SG 3.57Å; C172-A187 CarbonylContact O-C 3.14Å; C172-A187 WeakPolarHBondContact O-CA 3.35Å; C172-R188 PolarHBondContact N-O 3.46Å; C172-R188 PolarHBondContact O-N 3.3Å; C172-L248 HydrophobicContact CB-CD1 3.99Å; C172-T251 WeakPolarHBondContact CA-OG1 3.29Å; C172-T251 HydrophobicContact CB-CG2 3.75Å |
| 173 | Y | 84.5 | Confident | 76.4 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.2 | 176.8 | -59.7 | -86.2 | 0 | 0 | 0 | 109.5 | L185 K186 A187 R249 N250 T251 N1212 | Y173-L185 HydrophobicContact CD1-CB 4.49Å; Y173-K186 WeakPolarHBondContact CA-O 3.31Å; Y173-A187 HydrophobicContact CD1-CB 4.04Å; Y173-A187 HydrophobicContact CE1-CB 3.87Å; Y173-R249 WeakPolarHBondContact CB-O 3.45Å; Y173-R249 PolarHBondContact O-N 3.01Å; Y173-N250 HydrophobicContact CD2-CB 4.07Å; Y173-N250 HydrophobicContact CG-CB 4.41Å; Y173-T251 PolarHBondContact N-OG1 2.82Å; Y173-N1212 PolarHBondContact OH-ND2 2.83Å; Y173-N1212 PolarHBondContact OH-OD1 3.37Å; Y173-N1212 VanDerWaalsContact OH-OD1 3.05Å |
| 174 | I | 85.5 | Confident | 75 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.5 | 176.8 | 55.1 | 168 | 0 | 0 | 0 | 110.7 | T176 L185 K186 R188 L242 C246 V247 L248 | I174-T176 HydrophobicContact CD1-CG2 4.02Å; I174-T176 HydrophobicContact CG1-CG2 4.32Å; I174-L185 CarbonylContact O-C 3.58Å; I174-L185 WeakPolarHBondContact O-CA 3.47Å; I174-K186 HydrophobicContact CG1-CB 4.14Å; I174-K186 WeakPolarHBondContact CG1-O 3.46Å; I174-K186 PolarHBondContact N-O 3.24Å; I174-K186 PolarHBondContact O-N 3.37Å; I174-R188 HydrophobicContact CD1-CG 3.76Å; I174-R188 HydrophobicContact CG1-CG 4Å; I174-L242 HydrophobicContact CD1-CD2 4.24Å; I174-L242 HydrophobicContact CG2-CD2 3.85Å; I174-C246 HydrophobicContact CB-CB 4.25Å; I174-C246 HydrophobicContact CD1-CB 4.35Å; I174-C246 HydrophobicContact CG2-CB 4.46Å; I174-V247 CarbonylContact C-O 3.08Å; I174-V247 WeakPolarHBondContact CA-O 3.18Å; I174-L248 HydrophobicContact CG2-CD1 4.3Å |
| 175 | E | 78.5 | Confident | 73.9 | Confident | 37 Ų | 37 | 34.1 Ų | 34.1 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.6 | 167.6 | -178.5 | 179.2 | -172.5 | 0 | 0 | 108.3 | A177 L185 C246 V247 R249 | E175-A177 HydrophobicContact CG-CB 4.11Å; E175-L185 HydrophobicContact CB-CD2 4.04Å; E175-C246 VanDerWaalsContact O-CA 3.3Å; E175-C246 WeakPolarHBondContact O-CA 3.43Å; E175-V247 HydrophobicContact CB-CB 4.28Å; E175-V247 PolarHBondContact N-O 3.3Å; E175-V247 PolarHBondContact O-N 2.61Å; E175-R249 HydrophobicContact CB-CG 3.9Å; E175-R249 IonicContact OE2-CZ 3.02Å; E175-R249 VanDerWaalsContact OE2-CZ 3.23Å; E175-R249 IonicContact OE2-NE 3.44Å; E175-R249 PolarHBondContact OE2-NE 2.86Å; E175-R249 IonicContact OE2-NH2 3.41Å; E175-R249 PolarHBondContact OE2-NH2 2.75Å |
| 176 | T | 74 | Confident | 73.2 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | trans | -107.1 | 12.4 | -175.9 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | I174 E178 L179 D180 K186 | I174-T176 HydrophobicContact CD1-CG2 4.02Å; I174-T176 HydrophobicContact CG1-CG2 4.32Å; T176-E178 PolarHBondContact O-N 3.38Å; T176-L179 WeakPolarHBondContact O-CB 3.42Å; T176-L179 PolarHBondContact O-N 2.93Å; T176-D180 VanDerWaalsContact CB-OD1 3.28Å; T176-D180 WeakPolarHBondContact CB-OD1 3.39Å; T176-D180 PolarHBondContact O-N 3.02Å; T176-D180 VanDerWaalsContact O-N 3.08Å; T176-D180 VanDerWaalsContact OG1-CG 3.31Å; T176-D180 PolarHBondContact OG1-OD1 3.07Å; T176-D180 PolarHBondContact OG1-OD2 2.77Å; T176-D180 VanDerWaalsContact OG1-OD2 3.12Å; T176-K186 HydrophobicContact CG2-CD 3.86Å; T176-K186 HydrophobicContact CG2-CG 4.39Å; T176-K186 VanDerWaalsContact OG1-CE 3.27Å; T176-K186 WeakPolarHBondContact OG1-CE 3.4Å | ||
| 177 | A | 64.8 | Low | 72.8 | Confident | 7 Ų | 7 | 37 Ų | 37 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -49.8 | -37.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E175 L179 G181 E182 E894 | E175-A177 HydrophobicContact CG-CB 4.11Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.3Å; A177-G181 WeakPolarHBondContact O-CA 3.24Å; A177-G181 PolarHBondContact O-N 3.41Å; A177-E182 WeakPolarHBondContact CA-O 3.48Å; A177-E182 PolarHBondContact N-O 2.74Å; A177-E182 VanDerWaalsContact N-O 3.13Å; A177-E894 WeakPolarHBondContact CB-O 3.09Å |
| 178 | E | 66.4 | Low | 73 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 19% | 0.192 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.9 | -21.5 | 176.7 | -64.6 | -160.2 | 153.1 | 0 | 0 | 114.9 | F155 T176 G245 A875 Q897 | F155-E178 HydrophobicContact CE1-CG 4.47Å; F155-E178 WeakPolarHBondContact CE1-OE1 3.33Å; T176-E178 PolarHBondContact O-N 3.38Å; E178-G245 WeakPolarHBondContact OE2-CA 3.48Å; E178-A875 VanDerWaalsContact O-CB 3.27Å; E178-A875 WeakPolarHBondContact O-CB 3.32Å; E178-Q897 HydrophobicContact CB-CG 4.32Å |
| 179 | L | 68.9 | Low | 73.6 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -94.1 | -47.5 | -177.4 | -73.1 | 161.1 | 0 | 0 | 0 | 111.8 | T176 A177 L220 L243 R244 C246 L267 | T176-L179 WeakPolarHBondContact O-CB 3.42Å; T176-L179 PolarHBondContact O-N 2.93Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.3Å; L179-L220 HydrophobicContact CB-CD1 4.5Å; L179-L220 HydrophobicContact CD2-CD2 3.79Å; L179-L243 HydrophobicContact CD1-CB 3.65Å; L179-L243 HydrophobicContact CD1-CD1 4.13Å; L179-R244 WeakPolarHBondContact CD2-O 3.35Å; L179-C246 WeakPolarHBondContact CD1-SG 3.41Å; L179-L267 HydrophobicContact CD2-CB 3.87Å; L179-L267 HydrophobicContact CD2-CD1 3.68Å; L179-L267 HydrophobicContact CD2-CG 4.28Å |
| 180 | D | 63.3 | Low | 74.3 | Confident | 24 Ų | 24 | 31.2 Ų | 31.2 | 13% | 0.128 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -131.5 | 11.1 | -170.5 | 60.4 | 15.2 | 0 | 0 | 0 | 113.2 | T176 E182 K186 N876 | T176-D180 VanDerWaalsContact CB-OD1 3.28Å; T176-D180 WeakPolarHBondContact CB-OD1 3.39Å; T176-D180 PolarHBondContact O-N 3.02Å; T176-D180 VanDerWaalsContact O-N 3.08Å; T176-D180 VanDerWaalsContact OG1-CG 3.31Å; T176-D180 PolarHBondContact OG1-OD1 3.07Å; T176-D180 PolarHBondContact OG1-OD2 2.77Å; T176-D180 VanDerWaalsContact OG1-OD2 3.12Å; D180-E182 HydrophobicContact CB-CG 4.47Å; D180-E182 PolarHBondContact O-N 3.44Å; D180-E182 WeakPolarHBondContact OD1-CB 3.24Å; D180-E182 PolarHBondContact OD1-N 2.71Å; D180-K186 IonicContact OD2-NZ 2.94Å; D180-K186 PolarHBondContact OD2-NZ 2.8Å; D180-N876 VanDerWaalsContact CA-OD1 3.28Å; D180-N876 WeakPolarHBondContact CA-OD1 3.45Å; D180-N876 PolarHBondContact O-ND2 2.74Å; D180-N876 PolarHBondContact O-OD1 3.48Å; D180-N876 VanDerWaalsContact O-OD1 3.09Å |
| 181 | G | 52.6 | Low | 74.7 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | trans | 66.3 | -6.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A177 T183 | A177-G181 WeakPolarHBondContact O-CA 3.24Å; A177-G181 PolarHBondContact O-N 3.41Å; G181-T183 PolarHBondContact O-N 2.66Å | ||
| 182 | E | 60.4 | Low | 74.7 | Confident | 69 Ų | 69 | 35.3 Ų | 35.3 | 32% | 0.322 | 19% | 0.19 | S | C | . | . | trans | -76.8 | 118.6 | -176.4 | -60.5 | -173.4 | 169.4 | 0 | 0 | 110.2 | A177 D180 N184 K186 | A177-E182 WeakPolarHBondContact CA-O 3.48Å; A177-E182 PolarHBondContact N-O 2.74Å; A177-E182 VanDerWaalsContact N-O 3.13Å; D180-E182 HydrophobicContact CB-CG 4.47Å; D180-E182 PolarHBondContact O-N 3.44Å; D180-E182 WeakPolarHBondContact OD1-CB 3.24Å; D180-E182 PolarHBondContact OD1-N 2.71Å; E182-N184 PolarHBondContact O-N 3.11Å; E182-K186 WeakPolarHBondContact OE2-CE 3.5Å; E182-K186 IonicContact OE2-NZ 3.91Å; E182-K186 PolarHBondContact OE2-NZ 2.71Å | ||
| 183 | T | 54.6 | Low | 74.8 | Confident | 51 Ų | 51 | 38.8 Ų | 38.8 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | trans | -78.6 | -9.2 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | G181 E894 | G181-T183 PolarHBondContact O-N 2.66Å; T183-E894 HydrophobicContact CG2-CB 4.28Å; T183-E894 HydrophobicContact CG2-CG 3.79Å | ||
| 184 | N | 63.6 | Low | 75 | Confident | 56 Ų | 56 | 37 Ų | 37 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -68.5 | 137 | 179.3 | -61.6 | -51.9 | 0 | 0 | 0 | 110.4 | E182 K186 K709 | E182-N184 PolarHBondContact O-N 3.11Å; N184-K186 PolarHBondContact O-N 3.47Å; N184-K709 PolarHBondContact ND2-NZ 2.74Å; N184-K709 VanDerWaalsContact ND2-NZ 3.15Å |
| 185 | L | 70.9 | Confident | 75.1 | Confident | 69 Ų | 69 | 38 Ų | 38 | 36% | 0.361 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.5 | 173.4 | -61.7 | -177.6 | 0 | 0 | 0 | 110 | Y173 I174 E175 R249 N250 | Y173-L185 HydrophobicContact CD1-CB 4.49Å; I174-L185 CarbonylContact O-C 3.58Å; I174-L185 WeakPolarHBondContact O-CA 3.47Å; E175-L185 HydrophobicContact CB-CD2 4.04Å; L185-R249 HydrophobicContact CD1-CB 4.32Å; L185-R249 HydrophobicContact CD2-CB 3.54Å; L185-R249 HydrophobicContact CD2-CG 3.75Å; L185-N250 HydrophobicContact CD1-CB 4.42Å; L185-N250 VanDerWaalsContact CD1-ND2 3.3Å; L185-N250 WeakPolarHBondContact CD1-ND2 3.38Å |
| 186 | K | 74.7 | Confident | 75.5 | Confident | 56 Ų | 56 | 39 Ų | 39 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.9 | 173.5 | -59.8 | -172.5 | -176 | -177.9 | 0 | 109.1 | Y173 I174 T176 D180 E182 N184 | Y173-K186 WeakPolarHBondContact CA-O 3.31Å; I174-K186 HydrophobicContact CG1-CB 4.14Å; I174-K186 WeakPolarHBondContact CG1-O 3.46Å; I174-K186 PolarHBondContact N-O 3.24Å; I174-K186 PolarHBondContact O-N 3.37Å; T176-K186 HydrophobicContact CG2-CD 3.86Å; T176-K186 HydrophobicContact CG2-CG 4.39Å; T176-K186 VanDerWaalsContact OG1-CE 3.27Å; T176-K186 WeakPolarHBondContact OG1-CE 3.4Å; D180-K186 IonicContact OD2-NZ 2.94Å; D180-K186 PolarHBondContact OD2-NZ 2.8Å; E182-K186 WeakPolarHBondContact OE2-CE 3.5Å; E182-K186 IonicContact OE2-NZ 3.91Å; E182-K186 PolarHBondContact OE2-NZ 2.71Å; N184-K186 PolarHBondContact O-N 3.47Å |
| 187 | A | 81.5 | Confident | 76.1 | Confident | 49 Ų | 49 | 39.3 Ų | 39.3 | 41% | 0.405 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 134.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | C172 Y173 | C172-A187 CarbonylContact O-C 3.14Å; C172-A187 WeakPolarHBondContact O-CA 3.35Å; Y173-A187 HydrophobicContact CD1-CB 4.04Å; Y173-A187 HydrophobicContact CE1-CB 3.87Å |
| 188 | R | 87 | Confident | 77.1 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.4 | 172.3 | -61.2 | -72.2 | -176.9 | -176 | -3.3 | 108.3 | L162 L171 C172 I174 N238 H239 V241 L242 | L162-R188 HydrophobicContact CD2-CB 4.21Å; L171-R188 CarbonylContact C-O 3.52Å; L171-R188 WeakPolarHBondContact CA-O 3.42Å; C172-R188 PolarHBondContact N-O 3.46Å; C172-R188 PolarHBondContact O-N 3.3Å; I174-R188 HydrophobicContact CD1-CG 3.76Å; I174-R188 HydrophobicContact CG1-CG 4Å; R188-N238 PolarHBondContact NH1-O 3.33Å; R188-H239 WeakPolarHBondContact CA-O 3.29Å; R188-H239 WeakPolarHBondContact CB-O 3.48Å; R188-H239 VanDerWaalsContact CD-O 3.3Å; R188-H239 WeakPolarHBondContact CD-O 3.19Å; R188-V241 PolarHBondContact NE-O 2.89Å; R188-L242 HydrophobicContact CB-CD2 3.85Å; R188-L242 HydrophobicContact CG-CD2 3.7Å |
| 189 | Q | 87.9 | Confident | 78.1 | Confident | 91 Ų | 91 | 47.3 Ų | 47.3 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.9 | -173.9 | -165.8 | 179.6 | 14.1 | 0 | 0 | 110.8 | H169 L171 H239 K240 | H169-Q189 PolarHBondContact O-NE2 2.91Å; L171-Q189 HydrophobicContact CD2-CB 3.91Å; L171-Q189 HydrophobicContact CD2-CG 3.9Å; Q189-H239 PolarHBondContact N-O 3.45Å; Q189-H239 VanDerWaalsContact N-O 3.09Å; Q189-K240 WeakPolarHBondContact O-CG 3.16Å |
| 190 | A | 90.7 | Very high | 78.9 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | trans | -70.9 | 160 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L162 L163 G170 A195 | L162-A190 HydrophobicContact CD2-CB 4.13Å; L162-A190 HydrophobicContact CG-CB 3.92Å; L163-A190 WeakPolarHBondContact O-CB 3.35Å; G170-A190 WeakPolarHBondContact O-CB 3.39Å; G170-A190 PolarHBondContact O-N 3.37Å; A190-A195 HydrophobicContact CB-CB 4.16Å | ||
| 191 | L | 88.9 | Confident | 80 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | trans | -63 | 138 | 169.2 | -69.6 | 166.7 | 0 | 0 | 0 | 109.5 | D193 T194 A195 L227 Y234 L236 K240 | L191-D193 PolarHBondContact O-N 3.49Å; L191-D193 VanDerWaalsContact O-N 3.14Å; L191-T194 HydrophobicContact CB-CG2 4.26Å; L191-T194 HydrophobicContact CD1-CG2 4.47Å; L191-T194 PolarHBondContact O-N 2.8Å; L191-T194 VanDerWaalsContact O-N 3.08Å; L191-T194 PolarHBondContact O-OG1 3.31Å; L191-A195 WeakPolarHBondContact O-CB 3.15Å; L191-A195 PolarHBondContact O-N 3.12Å; L191-L227 HydrophobicContact CD1-CD2 3.66Å; L191-Y234 HydrophobicContact CD1-CG 4.07Å; L191-L236 HydrophobicContact CD1-CD2 4.1Å; L191-K240 HydrophobicContact CD2-CD 3.91Å; L191-K240 VanDerWaalsContact CD2-CE 3.48Å; L191-K240 HydrophobicContact CG-CD 4.2Å | ||
| 192 | P | 85.5 | Confident | 81.5 | Confident | 96 Ų | 96 | 53.2 Ų | 53.2 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -53.5 | -38.1 | 179.5 | -28 | 35 | 0 | 0 | 0 | 113.3 | A196 | P192-A196 PolarHBondContact O-N 3.32Å |
| 193 | D | 86.5 | Confident | 82.7 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.8 | -33.3 | -178.8 | -65.4 | -33.6 | 0 | 0 | 0 | 113.1 | L191 W229 Y234 | L191-D193 PolarHBondContact O-N 3.49Å; L191-D193 VanDerWaalsContact O-N 3.14Å; D193-W229 HydrophobicContact CB-CZ3 4.27Å; D193-Y234 WeakPolarHBondContact OD2-CE1 3.06Å; D193-Y234 VanDerWaalsContact OD2-CZ 3.24Å; D193-Y234 PolarHBondContact OD2-OH 3.26Å |
| 194 | T | 88.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.1 | -33.7 | 175.5 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | L163 L191 A196 M197 F207 L227 | L163-T194 HydrophobicContact CD2-CG2 4.26Å; L163-T194 CarbonylContact O-C 3.28Å; L163-T194 WeakPolarHBondContact O-CB 3.42Å; L163-T194 PolarHBondContact O-OG1 3.31Å; L191-T194 HydrophobicContact CB-CG2 4.26Å; L191-T194 HydrophobicContact CD1-CG2 4.47Å; L191-T194 PolarHBondContact O-N 2.8Å; L191-T194 VanDerWaalsContact O-N 3.08Å; L191-T194 PolarHBondContact O-OG1 3.31Å; T194-A196 PolarHBondContact O-N 3.29Å; T194-M197 HydrophobicContact CG2-CE 4.26Å; T194-M197 WeakPolarHBondContact O-CB 3.31Å; T194-M197 WeakPolarHBondContact O-CE 3.27Å; T194-M197 WeakPolarHBondContact O-CG 3.41Å; T194-M197 PolarHBondContact O-N 3.15Å; T194-F207 HydrophobicContact CG2-CE2 4.14Å; T194-L227 HydrophobicContact CG2-CD2 4.34Å |
| 195 | A | 87.5 | Confident | 85.3 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -28.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L163 A190 L191 M197 K198 | L163-A195 PolarHBondContact O-N 3.11Å; A190-A195 HydrophobicContact CB-CB 4.16Å; L191-A195 WeakPolarHBondContact O-CB 3.15Å; L191-A195 PolarHBondContact O-N 3.12Å; A195-M197 PolarHBondContact O-N 3.48Å; A195-M197 VanDerWaalsContact O-N 3.16Å; A195-K198 PolarHBondContact O-N 2.98Å; A195-K198 VanDerWaalsContact O-N 3.13Å |
| 196 | A | 87 | Confident | 86 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P192 T194 K198 | P192-A196 PolarHBondContact O-N 3.32Å; T194-A196 PolarHBondContact O-N 3.29Å; A196-K198 VanDerWaalsContact C-N 3.26Å; A196-K198 PolarHBondContact O-N 3.43Å |
| 197 | M | 86.7 | Confident | 86.7 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.5 | 175.1 | -63.3 | -173 | -74.9 | 0 | 0 | 112.9 | L163 T194 A195 D200 R203 I204 F207 | L163-M197 HydrophobicContact CB-CE 4.29Å; L163-M197 HydrophobicContact CD1-CE 4.46Å; T194-M197 HydrophobicContact CG2-CE 4.26Å; T194-M197 WeakPolarHBondContact O-CB 3.31Å; T194-M197 WeakPolarHBondContact O-CE 3.27Å; T194-M197 WeakPolarHBondContact O-CG 3.41Å; T194-M197 PolarHBondContact O-N 3.15Å; A195-M197 PolarHBondContact O-N 3.48Å; A195-M197 VanDerWaalsContact O-N 3.16Å; M197-D200 VanDerWaalsContact O-CB 3.3Å; M197-D200 WeakPolarHBondContact O-CB 3.31Å; M197-D200 PolarHBondContact O-N 3.02Å; M197-R203 HydrophobicContact CB-CB 4.29Å; M197-R203 HydrophobicContact CG-CB 4.22Å; M197-R203 HydrophobicContact SD-CB 4.48Å; M197-I204 HydrophobicContact CB-CG1 4.14Å; M197-F207 HydrophobicContact CE-CD2 3.93Å; M197-F207 HydrophobicContact CE-CE2 4.41Å; M197-F207 HydrophobicContact CE-CG 4.49Å; M197-F207 HydrophobicContact SD-CD2 4.25Å |
| 198 | K | 86.6 | Confident | 87.1 | Confident | 150 Ų | 150 | 58.1 Ų | 58.1 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -138.9 | -178.9 | -61.5 | -175.8 | 175.8 | -178.7 | 0 | 112 | S164 A195 A196 D200 I204 W253 | S164-K198 PolarHBondContact OG-O 2.56Å; A195-K198 PolarHBondContact O-N 2.98Å; A195-K198 VanDerWaalsContact O-N 3.13Å; A196-K198 VanDerWaalsContact C-N 3.26Å; A196-K198 PolarHBondContact O-N 3.43Å; K198-D200 VanDerWaalsContact C-N 3.31Å; K198-I204 WeakPolarHBondContact O-CD1 3.39Å; K198-W253 VanDerWaalsContact C-CH2 3.43Å |
| 199 | D | 86.3 | Confident | 87.2 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 35% | 0.353 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 26.9 | 177 | -157.8 | 8.9 | 0 | 0 | 0 | 111.7 | R149 L201 W253 F255 | R149-D199 IonicContact NE-OD1 2.67Å; D199-L201 PolarHBondContact O-N 2.85Å; D199-W253 HydrophobicContact CB-CD2 4.48Å; D199-W253 HydrophobicContact CB-CH2 3.83Å; D199-W253 HydrophobicContact CB-CZ2 3.54Å; D199-W253 HydrophobicContact CB-CZ3 4.35Å; D199-F255 WeakPolarHBondContact OD1-CE2 3.48Å; D199-F255 VanDerWaalsContact OD1-CZ 3.26Å; D199-F255 WeakPolarHBondContact OD1-CZ 3.44Å |
| 200 | D | 87.2 | Confident | 87.5 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | trans | -85.4 | 96.2 | -179.7 | -171.9 | -12.4 | 0 | 0 | 0 | 110.2 | M197 K198 S202 R203 I204 | M197-D200 VanDerWaalsContact O-CB 3.3Å; M197-D200 WeakPolarHBondContact O-CB 3.31Å; M197-D200 PolarHBondContact O-N 3.02Å; K198-D200 VanDerWaalsContact C-N 3.31Å; D200-S202 PolarHBondContact O-N 3.49Å; D200-S202 VanDerWaalsContact O-N 3.12Å; D200-S202 WeakPolarHBondContact OD1-CB 3.41Å; D200-S202 PolarHBondContact OD1-N 2.71Å; D200-S202 VanDerWaalsContact OD1-N 3.12Å; D200-S202 PolarHBondContact OD1-OG 2.52Å; D200-R203 HydrophobicContact CB-CB 4.19Å; D200-R203 HydrophobicContact CB-CG 4.13Å; D200-R203 PolarHBondContact O-N 2.82Å; D200-R203 VanDerWaalsContact O-N 3.1Å; D200-R203 VanDerWaalsContact OD2-CD 3.23Å; D200-R203 WeakPolarHBondContact OD2-CD 3.38Å; D200-R203 VanDerWaalsContact OD2-CG 3.3Å; D200-R203 WeakPolarHBondContact OD2-CG 3.38Å; D200-R203 IonicContact OD2-CZ 3.46Å; D200-R203 IonicContact OD2-NE 2.61Å; D200-R203 PolarHBondContact OD2-NE 2.87Å; D200-I204 WeakPolarHBondContact O-CG1 3.32Å; D200-I204 PolarHBondContact O-N 3.04Å | ||
| 201 | L | 86.1 | Confident | 87.6 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.6 | -30.3 | 180 | -67.5 | 174.8 | 0 | 0 | 0 | 113.6 | I129 L134 D199 G205 F255 | I129-L201 HydrophobicContact CD1-CD2 4.43Å; L134-L201 HydrophobicContact CD1-CD1 3.94Å; L134-L201 HydrophobicContact CD1-CD2 3.78Å; L134-L201 HydrophobicContact CD1-CG 4.46Å; L134-L201 HydrophobicContact CD2-CD2 4.31Å; L134-L201 HydrophobicContact CG-CD1 4.28Å; L134-L201 HydrophobicContact CG-CD2 3.75Å; D199-L201 PolarHBondContact O-N 2.85Å; L201-G205 PolarHBondContact O-N 3.36Å; L201-F255 HydrophobicContact CD2-CE1 3.99Å; L201-F255 HydrophobicContact CD2-CZ 3.94Å |
| 202 | S | 83.5 | Confident | 87.7 | Confident | 60 Ų | 60 | 54.2 Ų | 54.2 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.3 | -51.1 | 177.8 | 71.8 | 0 | 0 | 0 | 0 | 110.4 | D200 I204 G205 F206 | D200-S202 PolarHBondContact O-N 3.49Å; D200-S202 VanDerWaalsContact O-N 3.12Å; D200-S202 WeakPolarHBondContact OD1-CB 3.41Å; D200-S202 PolarHBondContact OD1-N 2.71Å; D200-S202 VanDerWaalsContact OD1-N 3.12Å; D200-S202 PolarHBondContact OD1-OG 2.52Å; S202-I204 PolarHBondContact O-N 2.88Å; S202-G205 PolarHBondContact O-N 3.35Å; S202-F206 WeakPolarHBondContact O-CD2 3.11Å; S202-F206 PolarHBondContact O-N 2.64Å; S202-F206 VanDerWaalsContact O-N 3.13Å |
| 203 | R | 86 | Confident | 88 | Confident | 144 Ų | 144 | 49.9 Ų | 49.9 | 54% | 0.543 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 179.1 | -67.5 | 178.2 | -171.8 | -156.7 | -8.3 | 112.2 | M197 D200 F206 F207 | M197-R203 HydrophobicContact CB-CB 4.29Å; M197-R203 HydrophobicContact CG-CB 4.22Å; M197-R203 HydrophobicContact SD-CB 4.48Å; D200-R203 HydrophobicContact CB-CB 4.19Å; D200-R203 HydrophobicContact CB-CG 4.13Å; D200-R203 PolarHBondContact O-N 2.82Å; D200-R203 VanDerWaalsContact O-N 3.1Å; D200-R203 VanDerWaalsContact OD2-CD 3.23Å; D200-R203 WeakPolarHBondContact OD2-CD 3.38Å; D200-R203 VanDerWaalsContact OD2-CG 3.3Å; D200-R203 WeakPolarHBondContact OD2-CG 3.38Å; D200-R203 IonicContact OD2-CZ 3.46Å; D200-R203 IonicContact OD2-NE 2.61Å; D200-R203 PolarHBondContact OD2-NE 2.87Å; R203-F206 PolarHBondContact O-N 3.3Å; R203-F207 PolarHBondContact O-N 2.73Å |
| 204 | I | 88.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.1 | -38.1 | 179.7 | -57.9 | 169.7 | 0 | 0 | 0 | 110.5 | N30 I129 I147 M197 K198 D200 S202 F206 F207 F255 | N30-I204 PolarHBondContact ND2-O 3.38Å; I129-I204 HydrophobicContact CD1-CB 4.03Å; I129-I204 HydrophobicContact CD1-CG2 3.34Å; I147-I204 HydrophobicContact CD1-CG2 4Å; I147-I204 WeakPolarHBondContact CD1-O 3.36Å; I147-I204 HydrophobicContact CG2-CG2 3.77Å; M197-I204 HydrophobicContact CB-CG1 4.14Å; K198-I204 WeakPolarHBondContact O-CD1 3.39Å; D200-I204 WeakPolarHBondContact O-CG1 3.32Å; D200-I204 PolarHBondContact O-N 3.04Å; S202-I204 PolarHBondContact O-N 2.88Å; I204-F206 VanDerWaalsContact C-N 3.27Å; I204-F206 PolarHBondContact O-N 2.96Å; I204-F207 VanDerWaalsContact O-CB 3.25Å; I204-F207 WeakPolarHBondContact O-CB 3.06Å; I204-F207 PolarHBondContact O-N 3.13Å; I204-F207 VanDerWaalsContact O-N 3.13Å; I204-F255 HydrophobicContact CD1-CB 4.35Å; I204-F255 HydrophobicContact CD1-CD1 3.83Å; I204-F255 HydrophobicContact CD1-CD2 3.48Å; I204-F255 VanDerWaalsContact CD1-CD2 3.48Å; I204-F255 HydrophobicContact CD1-CE1 3.84Å; I204-F255 HydrophobicContact CD1-CE2 3.52Å; I204-F255 HydrophobicContact CD1-CG 3.63Å; I204-F255 HydrophobicContact CD1-CZ 3.69Å; I204-F255 HydrophobicContact CG2-CD1 4.19Å |
| 205 | G | 84.6 | Confident | 88.3 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 22% | 0.216 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -28.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N30 L201 S202 | N30-G205 PolarHBondContact ND2-O 2.97Å; N30-G205 VanDerWaalsContact ND2-O 3.12Å; L201-G205 PolarHBondContact O-N 3.36Å; S202-G205 PolarHBondContact O-N 3.35Å |
| 206 | F | 86.1 | Confident | 88.3 | Confident | 173 Ų | 173 | 50.7 Ų | 50.7 | 76% | 0.759 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 4.3 | 174.3 | -71.1 | -65.9 | 0 | 0 | 0 | 114 | S202 R203 I204 D208 | S202-F206 WeakPolarHBondContact O-CD2 3.11Å; S202-F206 PolarHBondContact O-N 2.64Å; S202-F206 VanDerWaalsContact O-N 3.13Å; R203-F206 PolarHBondContact O-N 3.3Å; I204-F206 VanDerWaalsContact C-N 3.27Å; I204-F206 PolarHBondContact O-N 2.96Å; F206-D208 PolarHBondContact O-N 3.41Å |
| 207 | F | 89 | Confident | 88.2 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | trans | -67.9 | 118.4 | 177.2 | -178.5 | -100.6 | 0 | 0 | 0 | 110.5 | A29 N30 I147 L163 T194 M197 R203 I204 L227 W229 V257 | A29-F207 HydrophobicContact CB-CD1 3.44Å; A29-F207 VanDerWaalsContact CB-CD1 3.44Å; A29-F207 HydrophobicContact CB-CE1 3.66Å; N30-F207 PolarHBondContact ND2-O 3.19Å; I147-F207 HydrophobicContact CD1-CB 4.17Å; I147-F207 HydrophobicContact CD1-CD1 4.19Å; L163-F207 HydrophobicContact CD1-CD1 4.03Å; L163-F207 HydrophobicContact CD1-CE1 4.25Å; L163-F207 HydrophobicContact CD1-CG 4.39Å; L163-F207 HydrophobicContact CD2-CD1 4.36Å; L163-F207 HydrophobicContact CD2-CE1 3.8Å; L163-F207 HydrophobicContact CD2-CE2 4.21Å; L163-F207 HydrophobicContact CD2-CZ 3.7Å; T194-F207 HydrophobicContact CG2-CE2 4.14Å; M197-F207 HydrophobicContact CE-CD2 3.93Å; M197-F207 HydrophobicContact CE-CE2 4.41Å; M197-F207 HydrophobicContact CE-CG 4.49Å; M197-F207 HydrophobicContact SD-CD2 4.25Å; R203-F207 PolarHBondContact O-N 2.73Å; I204-F207 VanDerWaalsContact O-CB 3.25Å; I204-F207 WeakPolarHBondContact O-CB 3.06Å; I204-F207 PolarHBondContact O-N 3.13Å; I204-F207 VanDerWaalsContact O-N 3.13Å; F207-L227 HydrophobicContact CZ-CD1 3.98Å; F207-L227 HydrophobicContact CZ-CD2 4.19Å; F207-W229 HydrophobicContact CD2-CD2 4.4Å; F207-W229 AromaticContact CD2-CE2 3.84Å; F207-W229 HydrophobicContact CD2-CZ2 4.1Å; F207-W229 AromaticContact CD2-NE1 3.78Å; F207-W229 AromaticContact CE2-CD1 3.98Å; F207-W229 AromaticContact CE2-CD2 3.94Å; F207-W229 HydrophobicContact CE2-CD2 3.94Å; F207-W229 AromaticContact CE2-CE2 3.87Å; F207-W229 HydrophobicContact CE2-CG 4.01Å; F207-W229 HydrophobicContact CE2-CZ2 4.39Å; F207-W229 AromaticContact CE2-NE1 3.91Å; F207-V257 HydrophobicContact CD1-CG2 4.29Å; F207-V257 HydrophobicContact CE1-CG2 3.99Å | ||
| 208 | D | 88.8 | Confident | 87.9 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 60% | 0.599 | 27% | 0.274 | S | S | * | . | trans | -121.6 | 21.3 | -170.5 | 65.5 | -24.1 | 0 | 0 | 0 | 113 | F206 W229 | F206-D208 PolarHBondContact O-N 3.41Å; D208-W229 VanDerWaalsContact OD1-CD1 3.32Å; D208-W229 PolarHBondContact OD1-NE1 3.41Å; D208-W229 VanDerWaalsContact OD1-NE1 3.14Å | ||
| 209 | G | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -61.6 | 138.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A29 | A29-G209 PolarHBondContact N-O 3.35Š| ||
| 210 | E | 93.7 | Very high | 87.1 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.8 | 172.8 | -176.6 | 173.1 | 156.8 | 0 | 0 | 109.9 | L27 R28 N228 | L27-E210 WeakPolarHBondContact O-CA 3.45Å; R28-E210 HydrophobicContact CG-CB 3.99Å; R28-E210 HydrophobicContact CG-CG 3.99Å; R28-E210 IonicContact CZ-OE2 3.25Å; R28-E210 IonicContact NE-OE2 3.6Å; R28-E210 PolarHBondContact NE-OE2 2.85Å; R28-E210 IonicContact NH2-OE2 2.71Å; R28-E210 PolarHBondContact NH2-OE2 3.34Å; E210-N228 HydrophobicContact CB-CB 4.34Å; E210-N228 PolarHBondContact N-O 2.69Å; E210-N228 PolarHBondContact O-N 2.81Å |
| 211 | I | 93.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.6 | -179.2 | -61.9 | 159.5 | 0 | 0 | 0 | 108.3 | L27 L161 R226 L227 L236 V257 | L27-I211 HydrophobicContact CD1-CB 4.18Å; L27-I211 HydrophobicContact CD1-CD1 3.9Å; L27-I211 HydrophobicContact CG-CB 4.04Å; L27-I211 PolarHBondContact N-O 3.31Å; L27-I211 PolarHBondContact O-N 2.96Å; L161-I211 HydrophobicContact CB-CD1 4.5Å; L161-I211 HydrophobicContact CD2-CD1 3.59Å; L161-I211 HydrophobicContact CD2-CG1 4.07Å; I211-R226 WeakPolarHBondContact CA-O 3.11Å; I211-L227 HydrophobicContact CD1-CD1 4.46Å; I211-L227 HydrophobicContact CG1-CD1 3.64Å; I211-L236 HydrophobicContact CG2-CD1 3.96Å; I211-V257 HydrophobicContact CD1-CB 4.37Å; I211-V257 HydrophobicContact CD1-CG1 4.22Å |
| 212 | V | 91.6 | Very high | 86.1 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.2 | 173.7 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | R25 R26 G225 R226 | R25-V212 WeakPolarHBondContact O-CA 2.83Å; R26-V212 HydrophobicContact CG-CG1 4.25Å; R26-V212 HydrophobicContact CG-CG2 4.23Å; V212-G225 CarbonylContact O-C 3.42Å; V212-G225 WeakPolarHBondContact O-CA 3.29Å; V212-R226 HydrophobicContact CB-CG 3.96Å; V212-R226 PolarHBondContact N-O 2.83Å; V212-R226 PolarHBondContact O-N 3.06Å |
| 213 | C | 91 | Very high | 86.2 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 171.7 | -174.9 | 60 | 0 | 0 | 0 | 0 | 112.8 | R25 F223 Q224 | R25-C213 PolarHBondContact N-O 3.36Å; R25-C213 PolarHBondContact O-N 3.19Å; C213-F223 HydrophobicContact CB-CE2 4.1Å; C213-F223 HydrophobicContact CB-CZ 3.69Å; C213-Q224 WeakPolarHBondContact CA-O 3.31Å; C213-Q224 WeakPolarHBondContact CB-O 3.5Å |
| 214 | E | 90.1 | Very high | 86.3 | Confident | 40 Ų | 40 | 46 Ų | 46 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 154.5 | 173.3 | 63.7 | -178.3 | -173.3 | 0 | 0 | 112.5 | N217 F223 Q224 | E214-N217 PolarHBondContact OE1-ND2 3.35Å; E214-F223 WeakPolarHBondContact OE1-CA 3.09Å; E214-Q224 PolarHBondContact N-O 2.81Å; E214-Q224 VanDerWaalsContact N-O 3.08Å |
| 215 | P | 90.1 | Very high | 86.3 | Confident | 46 Ų | 46 | 47 Ų | 47 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 155.8 | 171.5 | 27.3 | -35 | 0 | 0 | 0 | 111 | E22 N217 | E22-P215 HydrophobicContact CB-CB 4.48Å; E22-P215 HydrophobicContact CG-CB 4.4Å; E22-P215 WeakPolarHBondContact O-CB 3.21Å; P215-N217 PolarHBondContact O-N 2.85Å |
| 216 | P | 88 | Confident | 86.6 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -61 | 128.5 | -177.9 | 28.6 | -36.8 | 0 | 0 | 0 | 110.4 | E22 F260 D264 M269 | E22-P216 WeakPolarHBondContact OE2-CD 3.23Å; P216-F260 HydrophobicContact CB-CD1 4.01Å; P216-F260 HydrophobicContact CB-CE1 3.89Å; P216-F260 HydrophobicContact CB-CZ 4.35Å; P216-D264 HydrophobicContact CB-CB 4.04Å; P216-D264 WeakPolarHBondContact CB-O 3.29Å; P216-D264 HydrophobicContact CG-CB 4.24Å; P216-M269 HydrophobicContact CB-CE 3.48Å; P216-M269 VanDerWaalsContact CB-CE 3.48Å; P216-M269 HydrophobicContact CB-SD 4.08Å; P216-M269 HydrophobicContact CG-CE 3.74Å; P216-M269 WeakPolarHBondContact O-CE 3.5Å |
| 217 | N | 85.9 | Confident | 86.9 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | trans | -131.1 | 165.4 | -178.7 | 64 | 63 | 0 | 0 | 0 | 110.9 | E214 P215 N219 M269 | E214-N217 PolarHBondContact OE1-ND2 3.35Å; P215-N217 PolarHBondContact O-N 2.85Å; N217-N219 VanDerWaalsContact C-N 3.34Å; N217-N219 PolarHBondContact OD1-N 3.02Å; N217-N219 PolarHBondContact OD1-O 2.99Å; N217-M269 VanDerWaalsContact C-SD 3.52Å | ||
| 218 | N | 79 | Confident | 87 | Confident | 102 Ų | 102 | 45.3 Ų | 45.3 | 55% | 0.545 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -87.8 | 4.1 | -178.9 | 66.5 | -17.3 | 0 | 0 | 0 | 113.8 | L220 M269 N270 | N218-L220 PolarHBondContact O-N 2.78Å; N218-M269 HydrophobicContact CB-CB 4.11Å; N218-N270 PolarHBondContact O-ND2 3.15Å; N218-N270 PolarHBondContact O-OD1 2.93Å |
| 219 | N | 77.2 | Confident | 87 | Confident | 69 Ų | 69 | 41 Ų | 41 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | trans | -86.7 | 111.3 | -176.9 | -170.8 | 1.8 | 0 | 0 | 0 | 111.4 | N217 S221 S222 K266 | N217-N219 VanDerWaalsContact C-N 3.34Å; N217-N219 PolarHBondContact OD1-N 3.02Å; N217-N219 PolarHBondContact OD1-O 2.99Å; N219-S221 VanDerWaalsContact C-N 3.32Å; N219-S221 PolarHBondContact O-N 3.11Å; N219-S221 PolarHBondContact OD1-N 2.84Å; N219-S221 PolarHBondContact OD1-OG 3.07Å; N219-S221 VanDerWaalsContact OD1-OG 3.06Å; N219-S222 WeakPolarHBondContact CB-OG 3.49Å; N219-S222 VanDerWaalsContact CG-OG 3.29Å; N219-S222 WeakPolarHBondContact ND2-CB 3.38Å; N219-S222 PolarHBondContact ND2-OG 3.5Å; N219-K266 WeakPolarHBondContact O-CD 3.23Å; N219-K266 WeakPolarHBondContact O-CE 3.42Å; N219-K266 PolarHBondContact O-NZ 2.95Å | ||
| 220 | L | 79 | Confident | 86.8 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -69 | -25.7 | -178.2 | -64.5 | 170.9 | 0 | 0 | 0 | 113.5 | L179 N218 N238 L243 K266 | L179-L220 HydrophobicContact CB-CD1 4.5Å; L179-L220 HydrophobicContact CD2-CD2 3.79Å; N218-L220 PolarHBondContact O-N 2.78Å; L220-N238 PolarHBondContact O-ND2 2.91Å; L220-L243 HydrophobicContact CD2-CD1 3.99Å; L220-K266 HydrophobicContact CD2-CB 3.91Å |
| 221 | S | 73.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -91.8 | -23.8 | -174.5 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | N219 N238 | N219-S221 VanDerWaalsContact C-N 3.32Å; N219-S221 PolarHBondContact O-N 3.11Å; N219-S221 PolarHBondContact OD1-N 2.84Å; N219-S221 PolarHBondContact OD1-OG 3.07Å; N219-S221 VanDerWaalsContact OD1-OG 3.06Å; S221-N238 WeakPolarHBondContact O-CB 3.47Å; S221-N238 VanDerWaalsContact O-CG 3.31Å; S221-N238 PolarHBondContact O-ND2 3.42Å |
| 222 | S | 78.7 | Confident | 85.9 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | trans | -103.2 | 128.9 | -177.8 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | N219 K266 | N219-S222 WeakPolarHBondContact CB-OG 3.49Å; N219-S222 VanDerWaalsContact CG-OG 3.29Å; N219-S222 WeakPolarHBondContact ND2-CB 3.38Å; N219-S222 PolarHBondContact ND2-OG 3.5Å; S222-K266 PolarHBondContact O-NZ 3.25Å | ||
| 223 | F | 86.6 | Confident | 85.6 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | trans | -141.6 | 131.2 | 163.2 | 178 | -93.8 | 0 | 0 | 0 | 108.4 | C213 E214 L236 D237 N238 V241 I259 F260 | C213-F223 HydrophobicContact CB-CE2 4.1Å; C213-F223 HydrophobicContact CB-CZ 3.69Å; E214-F223 WeakPolarHBondContact OE1-CA 3.09Å; F223-L236 HydrophobicContact CE1-CB 4.01Å; F223-D237 WeakPolarHBondContact O-CA 3.06Å; F223-N238 HydrophobicContact CB-CB 4.2Å; F223-V241 HydrophobicContact CD1-CG2 3.49Å; F223-V241 VanDerWaalsContact CD1-CG2 3.49Å; F223-V241 HydrophobicContact CD2-CG2 4.42Å; F223-V241 HydrophobicContact CE1-CG2 3.64Å; F223-V241 HydrophobicContact CG-CG2 3.9Å; F223-V241 HydrophobicContact CZ-CG2 4.18Å; F223-I259 HydrophobicContact CE1-CD1 4.33Å; F223-I259 HydrophobicContact CE2-CD1 4.15Å; F223-I259 HydrophobicContact CE2-CG2 4.35Å; F223-I259 HydrophobicContact CZ-CD1 3.64Å; F223-I259 HydrophobicContact CZ-CG2 4.39Å; F223-F260 HydrophobicContact CD2-CE2 4.22Å; F223-F260 AromaticContact CE2-CE2 3.83Å; F223-F260 HydrophobicContact CE2-CE2 3.83Å; F223-F260 HydrophobicContact CE2-CZ 4.18Å | ||
| 224 | Q | 87.5 | Confident | 85.4 | Confident | 139 Ų | 139 | 62.5 Ų | 62.5 | 65% | 0.65 | 34% | 0.342 | S | S | * | . | trans | -128.6 | 130.6 | 178.5 | -63.7 | -174.5 | 3 | 0 | 0 | 110.7 | C213 E214 | C213-Q224 WeakPolarHBondContact CA-O 3.31Å; C213-Q224 WeakPolarHBondContact CB-O 3.5Å; E214-Q224 PolarHBondContact N-O 2.81Å; E214-Q224 VanDerWaalsContact N-O 3.08Å | ||
| 225 | G | 88.5 | Confident | 85.4 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | -176.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V212 L236 | V212-G225 CarbonylContact O-C 3.42Å; V212-G225 WeakPolarHBondContact O-CA 3.29Å; G225-L236 PolarHBondContact N-O 3.22Å; G225-L236 WeakPolarHBondContact O-CB 3.27Å; G225-L236 PolarHBondContact O-N 2.98Å |
| 226 | R | 91.3 | Very high | 85.3 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 142.6 | 176 | 59.5 | 179.2 | 177.3 | 157 | -1.4 | 110.6 | I211 V212 T233 Y234 | I211-R226 WeakPolarHBondContact CA-O 3.11Å; V212-R226 HydrophobicContact CB-CG 3.96Å; V212-R226 PolarHBondContact N-O 2.83Å; V212-R226 PolarHBondContact O-N 3.06Å; R226-T233 HydrophobicContact CB-CG2 3.9Å; R226-T233 HydrophobicContact CG-CG2 4.5Å; R226-Y234 CarbonylContact C-O 3.46Å; R226-Y234 VanDerWaalsContact CA-O 3.29Å; R226-Y234 WeakPolarHBondContact CA-O 3.48Å |
| 227 | L | 91.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.7 | 171.6 | 172.2 | 68.1 | 0 | 0 | 0 | 108.9 | L191 T194 F207 I211 W229 T233 Y234 L236 | L191-L227 HydrophobicContact CD1-CD2 3.66Å; T194-L227 HydrophobicContact CG2-CD2 4.34Å; F207-L227 HydrophobicContact CZ-CD1 3.98Å; F207-L227 HydrophobicContact CZ-CD2 4.19Å; I211-L227 HydrophobicContact CD1-CD1 4.46Å; I211-L227 HydrophobicContact CG1-CD1 3.64Å; L227-W229 HydrophobicContact CD1-CB 4.47Å; L227-W229 HydrophobicContact CD2-CB 4.45Å; L227-W229 HydrophobicContact CG-CB 4.2Å; L227-T233 CarbonylContact O-C 3.52Å; L227-T233 WeakPolarHBondContact O-CA 3.34Å; L227-Y234 HydrophobicContact CD2-CD2 4.32Å; L227-Y234 HydrophobicContact CG-CD2 4.46Å; L227-Y234 PolarHBondContact N-O 2.76Å; L227-Y234 PolarHBondContact O-N 2.74Å; L227-L236 HydrophobicContact CB-CD1 4.14Å; L227-L236 HydrophobicContact CB-CD2 4.04Å; L227-L236 HydrophobicContact CB-CG 4.22Å |
| 228 | N | 91.3 | Very high | 85.2 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 111.6 | 170.2 | -66.9 | -26.2 | 0 | 0 | 0 | 108.9 | E210 K232 T233 | E210-N228 HydrophobicContact CB-CB 4.34Å; E210-N228 PolarHBondContact N-O 2.69Å; E210-N228 PolarHBondContact O-N 2.81Å; N228-K232 WeakPolarHBondContact CA-O 3.48Å; N228-T233 WeakPolarHBondContact OD1-CG2 3.31Å; N228-T233 PolarHBondContact OD1-OG1 3.47Å |
| 229 | W | 89.2 | Confident | 85.5 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 9% | 0.087 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 133.1 | -179.4 | -174.3 | 58.1 | 0 | 0 | 0 | 111.2 | D193 F207 D208 L227 G231 K232 Y234 | D193-W229 HydrophobicContact CB-CZ3 4.27Å; F207-W229 HydrophobicContact CD2-CD2 4.4Å; F207-W229 AromaticContact CD2-CE2 3.84Å; F207-W229 HydrophobicContact CD2-CZ2 4.1Å; F207-W229 AromaticContact CD2-NE1 3.78Å; F207-W229 AromaticContact CE2-CD1 3.98Å; F207-W229 AromaticContact CE2-CD2 3.94Å; F207-W229 HydrophobicContact CE2-CD2 3.94Å; F207-W229 AromaticContact CE2-CE2 3.87Å; F207-W229 HydrophobicContact CE2-CG 4.01Å; F207-W229 HydrophobicContact CE2-CZ2 4.39Å; F207-W229 AromaticContact CE2-NE1 3.91Å; D208-W229 VanDerWaalsContact OD1-CD1 3.32Å; D208-W229 PolarHBondContact OD1-NE1 3.41Å; D208-W229 VanDerWaalsContact OD1-NE1 3.14Å; L227-W229 HydrophobicContact CD1-CB 4.47Å; L227-W229 HydrophobicContact CD2-CB 4.45Å; L227-W229 HydrophobicContact CG-CB 4.2Å; W229-G231 VanDerWaalsContact C-N 3.25Å; W229-G231 PolarHBondContact O-N 2.8Å; W229-K232 PolarHBondContact N-O 3.12Å; W229-K232 PolarHBondContact O-N 2.93Å; W229-K232 VanDerWaalsContact O-O 3.11Å; W229-Y234 HydrophobicContact CB-CE2 4.5Å |
| 230 | K | 86.2 | Confident | 86.1 | Confident | 162 Ų | 162 | 63.8 Ų | 63.8 | 70% | 0.704 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.6 | -177.2 | -64.8 | 178.6 | 172.3 | 173.8 | 0 | 114.1 | K232 | K230-K232 PolarHBondContact O-N 3.26Š|
| 231 | G | 81.3 | Confident | 86.7 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 92% | 0.918 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 4.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | W229 | W229-G231 VanDerWaalsContact C-N 3.25Å; W229-G231 PolarHBondContact O-N 2.8Å |
| 232 | K | 85.1 | Confident | 87.6 | Confident | 131 Ų | 131 | 58.7 Ų | 58.7 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 146.8 | 173 | -69.6 | -177.7 | 176.7 | -177 | 0 | 110.5 | N228 W229 K230 Y234 | N228-K232 WeakPolarHBondContact CA-O 3.48Å; W229-K232 PolarHBondContact N-O 3.12Å; W229-K232 PolarHBondContact O-N 2.93Å; W229-K232 VanDerWaalsContact O-O 3.11Å; K230-K232 PolarHBondContact O-N 3.26Å; K232-Y234 HydrophobicContact CB-CE2 3.83Å; K232-Y234 VanDerWaalsContact CD-OH 3.3Å; K232-Y234 WeakPolarHBondContact CD-OH 3.36Å |
| 233 | T | 85.4 | Confident | 88.3 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 52% | 0.521 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.4 | 175.1 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | R226 L227 N228 | R226-T233 HydrophobicContact CB-CG2 3.9Å; R226-T233 HydrophobicContact CG-CG2 4.5Å; L227-T233 CarbonylContact O-C 3.52Å; L227-T233 WeakPolarHBondContact O-CA 3.34Å; N228-T233 WeakPolarHBondContact OD1-CG2 3.31Å; N228-T233 PolarHBondContact OD1-OG1 3.47Å |
| 234 | Y | 87.9 | Confident | 88.3 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.9 | 177.8 | -56.4 | -84.9 | 0 | 0 | 0 | 110.4 | L191 D193 R226 L227 W229 K232 | L191-Y234 HydrophobicContact CD1-CG 4.07Å; D193-Y234 WeakPolarHBondContact OD2-CE1 3.06Å; D193-Y234 VanDerWaalsContact OD2-CZ 3.24Å; D193-Y234 PolarHBondContact OD2-OH 3.26Å; R226-Y234 CarbonylContact C-O 3.46Å; R226-Y234 VanDerWaalsContact CA-O 3.29Å; R226-Y234 WeakPolarHBondContact CA-O 3.48Å; L227-Y234 HydrophobicContact CD2-CD2 4.32Å; L227-Y234 HydrophobicContact CG-CD2 4.46Å; L227-Y234 PolarHBondContact N-O 2.76Å; L227-Y234 PolarHBondContact O-N 2.74Å; W229-Y234 HydrophobicContact CB-CE2 4.5Å; K232-Y234 HydrophobicContact CB-CE2 3.83Å; K232-Y234 VanDerWaalsContact CD-OH 3.3Å; K232-Y234 WeakPolarHBondContact CD-OH 3.36Å |
| 235 | P | 89 | Confident | 88 | Confident | 102 Ų | 102 | 50.7 Ų | 50.7 | 66% | 0.662 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 135.2 | 173.7 | 30.2 | -33.3 | 0 | 0 | 0 | 110.5 | ||
| 236 | L | 88.6 | Confident | 88 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.1 | 174 | -55.8 | -179.7 | 0 | 0 | 0 | 109.5 | L161 L191 I211 F223 G225 L227 K240 | L161-L236 HydrophobicContact CD1-CD1 4.08Å; L161-L236 HydrophobicContact CD1-CD2 3.75Å; L161-L236 HydrophobicContact CD1-CG 4.44Å; L161-L236 HydrophobicContact CD2-CD1 3.98Å; L161-L236 HydrophobicContact CD2-CD2 4.26Å; L191-L236 HydrophobicContact CD1-CD2 4.1Å; I211-L236 HydrophobicContact CG2-CD1 3.96Å; F223-L236 HydrophobicContact CE1-CB 4.01Å; G225-L236 PolarHBondContact N-O 3.22Å; G225-L236 WeakPolarHBondContact O-CB 3.27Å; G225-L236 PolarHBondContact O-N 2.98Å; L227-L236 HydrophobicContact CB-CD1 4.14Å; L227-L236 HydrophobicContact CB-CD2 4.04Å; L227-L236 HydrophobicContact CB-CG 4.22Å; L236-K240 HydrophobicContact CD2-CD 4.14Å |
| 237 | D | 85.7 | Confident | 87.8 | Confident | 60 Ų | 60 | 45 Ų | 45 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | trans | -122.2 | 175.4 | 176.4 | 56.5 | 15.4 | 0 | 0 | 0 | 110 | F223 H239 K240 | F223-D237 WeakPolarHBondContact O-CA 3.06Å; D237-H239 PolarHBondContact O-N 3.04Å; D237-H239 PolarHBondContact OD1-N 2.79Å; D237-K240 PolarHBondContact O-N 3.05Å; D237-K240 WeakPolarHBondContact OD1-CD 3.22Å; D237-K240 WeakPolarHBondContact OD1-CG 3.46Å; D237-K240 PolarHBondContact OD1-N 3.41Å; D237-K240 IonicContact OD1-NZ 2.74Å; D237-K240 PolarHBondContact OD1-NZ 3.27Å; D237-K240 IonicContact OD2-NZ 2.78Å; D237-K240 PolarHBondContact OD2-NZ 3.48Å | ||
| 238 | N | 86 | Confident | 87.6 | Confident | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -60.2 | -31.5 | 178.8 | -161.6 | 35.4 | 0 | 0 | 0 | 112.3 | R188 L220 S221 F223 K240 V241 | R188-N238 PolarHBondContact NH1-O 3.33Å; L220-N238 PolarHBondContact O-ND2 2.91Å; S221-N238 WeakPolarHBondContact O-CB 3.47Å; S221-N238 VanDerWaalsContact O-CG 3.31Å; S221-N238 PolarHBondContact O-ND2 3.42Å; F223-N238 HydrophobicContact CB-CB 4.2Å; N238-K240 PolarHBondContact O-N 3.15Å; N238-K240 VanDerWaalsContact O-N 3.09Å; N238-V241 PolarHBondContact O-N 3.42Å; N238-V241 VanDerWaalsContact O-N 3.09Å |
| 239 | H | 85.4 | Confident | 87.1 | Confident | 118 Ų | 118 | 46.8 Ų | 46.8 | 55% | 0.546 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -63.2 | -15.5 | 179.9 | -69.4 | -74.1 | 0 | 0 | 0 | 114.5 | R188 Q189 D237 | R188-H239 WeakPolarHBondContact CA-O 3.29Å; R188-H239 WeakPolarHBondContact CB-O 3.48Å; R188-H239 VanDerWaalsContact CD-O 3.3Å; R188-H239 WeakPolarHBondContact CD-O 3.19Å; Q189-H239 PolarHBondContact N-O 3.45Å; Q189-H239 VanDerWaalsContact N-O 3.09Å; D237-H239 PolarHBondContact O-N 3.04Å; D237-H239 PolarHBondContact OD1-N 2.79Å |
| 240 | K | 89.4 | Confident | 86.6 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -98.6 | -2.6 | 177.7 | -67.1 | 164.8 | -171.7 | 72.7 | 0 | 113.6 | L161 L162 Q189 L191 L236 D237 N238 | L161-K240 HydrophobicContact CD1-CB 4.03Å; L162-K240 WeakPolarHBondContact CB-O 3.36Å; L162-K240 PolarHBondContact N-O 3.01Å; Q189-K240 WeakPolarHBondContact O-CG 3.16Å; L191-K240 HydrophobicContact CD2-CD 3.91Å; L191-K240 VanDerWaalsContact CD2-CE 3.48Å; L191-K240 HydrophobicContact CG-CD 4.2Å; L236-K240 HydrophobicContact CD2-CD 4.14Å; D237-K240 PolarHBondContact O-N 3.05Å; D237-K240 WeakPolarHBondContact OD1-CD 3.22Å; D237-K240 WeakPolarHBondContact OD1-CG 3.46Å; D237-K240 PolarHBondContact OD1-N 3.41Å; D237-K240 IonicContact OD1-NZ 2.74Å; D237-K240 PolarHBondContact OD1-NZ 3.27Å; D237-K240 IonicContact OD2-NZ 2.78Å; D237-K240 PolarHBondContact OD2-NZ 3.48Å; N238-K240 PolarHBondContact O-N 3.15Å; N238-K240 VanDerWaalsContact O-N 3.09Å |
| 241 | V | 92 | Very high | 86.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.5 | -174.7 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | L160 R188 F223 N238 L243 I259 | L160-V241 CarbonylContact O-C 3.58Å; L160-V241 VanDerWaalsContact O-CA 3.29Å; L160-V241 WeakPolarHBondContact O-CA 3.46Å; L160-V241 WeakPolarHBondContact O-CG1 3.43Å; R188-V241 PolarHBondContact NE-O 2.89Å; F223-V241 HydrophobicContact CD1-CG2 3.49Å; F223-V241 VanDerWaalsContact CD1-CG2 3.49Å; F223-V241 HydrophobicContact CD2-CG2 4.42Å; F223-V241 HydrophobicContact CE1-CG2 3.64Å; F223-V241 HydrophobicContact CG-CG2 3.9Å; F223-V241 HydrophobicContact CZ-CG2 4.18Å; N238-V241 PolarHBondContact O-N 3.42Å; N238-V241 VanDerWaalsContact O-N 3.09Å; V241-L243 HydrophobicContact CG1-CD2 3.97Å; V241-I259 HydrophobicContact CG2-CD1 4.2Å |
| 242 | L | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.1 | 172.4 | -50.3 | -178.2 | 0 | 0 | 0 | 108.4 | M150 V156 D159 L160 L162 I174 R188 | M150-L242 HydrophobicContact CE-CD1 3.38Å; V156-L242 HydrophobicContact CG1-CB 4.32Å; V156-L242 HydrophobicContact CG2-CB 4.38Å; D159-L242 CarbonylContact C-O 3.58Å; D159-L242 WeakPolarHBondContact CA-O 3.44Å; L160-L242 HydrophobicContact CB-CB 4.37Å; L160-L242 PolarHBondContact N-O 2.98Å; L160-L242 PolarHBondContact O-N 3.38Å; L162-L242 HydrophobicContact CB-CG 4.46Å; L162-L242 HydrophobicContact CD1-CD1 4.22Å; I174-L242 HydrophobicContact CD1-CD2 4.24Å; I174-L242 HydrophobicContact CG2-CD2 3.85Å; R188-L242 HydrophobicContact CB-CD2 3.85Å; R188-L242 HydrophobicContact CG-CD2 3.7Å |
| 243 | L | 92.1 | Very high | 87 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | trans | -87.9 | 152.3 | -176.1 | -59.4 | 178.6 | 0 | 0 | 0 | 111.7 | V156 D159 L179 L220 V241 G245 C246 K266 | V156-L243 WeakPolarHBondContact CB-O 3.23Å; V156-L243 WeakPolarHBondContact CG1-O 3.42Å; D159-L243 HydrophobicContact CB-CD2 4.4Å; D159-L243 WeakPolarHBondContact OD1-CA 3.21Å; L179-L243 HydrophobicContact CD1-CB 3.65Å; L179-L243 HydrophobicContact CD1-CD1 4.13Å; L220-L243 HydrophobicContact CD2-CD1 3.99Å; V241-L243 HydrophobicContact CG1-CD2 3.97Å; L243-G245 PolarHBondContact O-N 2.74Å; L243-C246 VanDerWaalsContact O-CB 3.3Å; L243-C246 WeakPolarHBondContact O-CB 3.36Å; L243-C246 PolarHBondContact O-N 2.71Å; L243-C246 PolarHBondContact O-SG 2.65Å; L243-K266 HydrophobicContact CD1-CD 4.41Å; L243-K266 HydrophobicContact CD2-CD 3.86Å; L243-K266 HydrophobicContact CD2-CG 4.29Å | ||
| 244 | R | 88.5 | Confident | 87.4 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 134.3 | 171.8 | -175.1 | -174.6 | -174.1 | 114.4 | 8.8 | 110.4 | N43 A157 D159 L179 C246 T265 L267 | N43-R244 PolarHBondContact OD1-NH1 2.75Å; A157-R244 PolarHBondContact O-NH1 3.47Å; D159-R244 PolarHBondContact OD1-N 3.12Å; L179-R244 WeakPolarHBondContact CD2-O 3.35Å; R244-C246 VanDerWaalsContact C-N 3.35Å; R244-T265 HydrophobicContact CB-CG2 4.09Å; R244-T265 WeakPolarHBondContact CD-OG1 3.47Å; R244-L267 HydrophobicContact CB-CB 4.48Å; R244-L267 HydrophobicContact CG-CD2 4.22Å |
| 245 | G | 80.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 34 Ų | 34 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -13.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V156 E178 L243 | V156-G245 PolarHBondContact O-N 3.42Å; E178-G245 WeakPolarHBondContact OE2-CA 3.48Å; L243-G245 PolarHBondContact O-N 2.74Å |
| 246 | C | 88.1 | Confident | 88 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | trans | -63.9 | 150.1 | 166.6 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | V156 I174 E175 L179 L243 R244 | V156-C246 HydrophobicContact CB-CB 4.3Å; V156-C246 HydrophobicContact CG2-CB 3.82Å; V156-C246 WeakPolarHBondContact CG2-O 3.49Å; V156-C246 PolarHBondContact N-O 3.44Å; I174-C246 HydrophobicContact CB-CB 4.25Å; I174-C246 HydrophobicContact CD1-CB 4.35Å; I174-C246 HydrophobicContact CG2-CB 4.46Å; E175-C246 VanDerWaalsContact O-CA 3.3Å; E175-C246 WeakPolarHBondContact O-CA 3.43Å; L179-C246 WeakPolarHBondContact CD1-SG 3.41Å; L243-C246 VanDerWaalsContact O-CB 3.3Å; L243-C246 WeakPolarHBondContact O-CB 3.36Å; L243-C246 PolarHBondContact O-N 2.71Å; L243-C246 PolarHBondContact O-SG 2.65Å; R244-C246 VanDerWaalsContact C-N 3.35Å | ||
| 247 | V | 86.5 | Confident | 88.3 | Confident | 13 Ų | 13 | 28.7 Ų | 28.7 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.7 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | F155 I174 E175 R249 | F155-V247 HydrophobicContact CD1-CG2 3.59Å; F155-V247 HydrophobicContact CE1-CG2 3.42Å; F155-V247 VanDerWaalsContact CE1-CG2 3.42Å; F155-V247 HydrophobicContact CE2-CG2 4.49Å; F155-V247 HydrophobicContact CG-CG2 4.21Å; F155-V247 HydrophobicContact CZ-CG2 3.91Å; I174-V247 CarbonylContact C-O 3.08Å; I174-V247 WeakPolarHBondContact CA-O 3.18Å; E175-V247 HydrophobicContact CB-CB 4.28Å; E175-V247 PolarHBondContact N-O 3.3Å; E175-V247 PolarHBondContact O-N 2.61Å; V247-R249 HydrophobicContact CG1-CG 4.42Å; V247-R249 PolarHBondContact O-N 2.96Å |
| 248 | L | 88.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.9 | 174.1 | -171.2 | 70.3 | 0 | 0 | 0 | 109.4 | M150 E151 D153 N154 C172 I174 T251 | M150-L248 HydrophobicContact CB-CD2 4.18Å; E151-L248 WeakPolarHBondContact O-CD2 3.33Å; D153-L248 VanDerWaalsContact CA-O 3.24Å; D153-L248 WeakPolarHBondContact CA-O 3.43Å; D153-L248 PolarHBondContact N-O 3.21Å; N154-L248 PolarHBondContact O-N 3.29Å; C172-L248 HydrophobicContact CB-CD1 3.99Å; I174-L248 HydrophobicContact CG2-CD1 4.3Å; L248-T251 HydrophobicContact CD1-CG2 4.19Å; L248-T251 HydrophobicContact CD2-CG2 4.34Å |
| 249 | R | 81.3 | Confident | 89.1 | Confident | 83 Ų | 83 | 24.8 Ų | 24.8 | 31% | 0.313 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 160.1 | 179.1 | -64.5 | -64.1 | -164.8 | 172.2 | 4.7 | 110.2 | N152 D153 Y173 E175 L185 V247 T251 | N152-R249 VanDerWaalsContact OD1-C 3.28Å; N152-R249 WeakPolarHBondContact OD1-CA 3.19Å; D153-R249 VanDerWaalsContact OD1-CD 3.24Å; D153-R249 WeakPolarHBondContact OD1-CD 3.33Å; D153-R249 IonicContact OD1-CZ 3.42Å; D153-R249 IonicContact OD1-NE 2.66Å; D153-R249 IonicContact OD1-NH1 3Å; D153-R249 PolarHBondContact OD1-NH1 2.78Å; Y173-R249 WeakPolarHBondContact CB-O 3.45Å; Y173-R249 PolarHBondContact O-N 3.01Å; E175-R249 HydrophobicContact CB-CG 3.9Å; E175-R249 IonicContact OE2-CZ 3.02Å; E175-R249 VanDerWaalsContact OE2-CZ 3.23Å; E175-R249 IonicContact OE2-NE 3.44Å; E175-R249 PolarHBondContact OE2-NE 2.86Å; E175-R249 IonicContact OE2-NH2 3.41Å; E175-R249 PolarHBondContact OE2-NH2 2.75Å; L185-R249 HydrophobicContact CD1-CB 4.32Å; L185-R249 HydrophobicContact CD2-CB 3.54Å; L185-R249 HydrophobicContact CD2-CG 3.75Å; V247-R249 HydrophobicContact CG1-CG 4.42Å; V247-R249 PolarHBondContact O-N 2.96Å; R249-T251 WeakPolarHBondContact O-CB 3.4Å; R249-T251 PolarHBondContact O-N 2.81Å; R249-T251 PolarHBondContact O-OG1 2.7Å |
| 250 | N | 78.3 | Confident | 89.6 | Confident | 72 Ų | 72 | 19.3 Ų | 19.3 | 39% | 0.385 | 9% | 0.087 | S | C | . | . | S | Bend | trans | 44.6 | 30.2 | 176.5 | -65.3 | 0.9 | 0 | 0 | 0 | 114.2 | N152 Y173 L185 | N152-N250 PolarHBondContact OD1-N 2.78Å; Y173-N250 HydrophobicContact CD2-CB 4.07Å; Y173-N250 HydrophobicContact CG-CB 4.41Å; L185-N250 HydrophobicContact CD1-CB 4.42Å; L185-N250 VanDerWaalsContact CD1-ND2 3.3Å; L185-N250 WeakPolarHBondContact CD1-ND2 3.38Å |
| 251 | T | 81.6 | Confident | 89.7 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | trans | -145.8 | 114.8 | -174.6 | -51.2 | 0 | 0 | 0 | 0 | 107.2 | N152 S165 E167 C172 Y173 L248 R249 W253 | N152-T251 WeakPolarHBondContact CA-O 3.3Å; N152-T251 VanDerWaalsContact CB-O 3.24Å; N152-T251 WeakPolarHBondContact CB-O 3.09Å; N152-T251 PolarHBondContact OD1-N 2.62Å; N152-T251 PolarHBondContact OD1-O 3Å; S165-T251 WeakPolarHBondContact OG-CG2 3.01Å; E167-T251 HydrophobicContact CG-CG2 4.33Å; C172-T251 WeakPolarHBondContact CA-OG1 3.29Å; C172-T251 HydrophobicContact CB-CG2 3.75Å; Y173-T251 PolarHBondContact N-OG1 2.82Å; L248-T251 HydrophobicContact CD1-CG2 4.19Å; L248-T251 HydrophobicContact CD2-CG2 4.34Å; R249-T251 WeakPolarHBondContact O-CB 3.4Å; R249-T251 PolarHBondContact O-N 2.81Å; R249-T251 PolarHBondContact O-OG1 2.7Å; T251-W253 PolarHBondContact O-N 2.71Å | ||
| 252 | K | 87.5 | Confident | 89.6 | Confident | 142 Ų | 142 | 17.6 Ų | 17.6 | 62% | 0.617 | 8% | 0.079 | S | C | * | . | S | Bend | trans | -60.6 | -46.8 | -174.8 | -67.2 | -175.7 | 177.7 | -178.2 | 0 | 112.3 | E151 N152 S166 | E151-K252 WeakPolarHBondContact CA-O 3.4Å; N152-K252 PolarHBondContact N-O 2.76Å; N152-K252 VanDerWaalsContact N-O 3.15Å; S166-K252 PolarHBondContact OG-N 2.73Å |
| 253 | W | 92.2 | Very high | 89.3 | Confident | 40 Ų | 40 | 26 Ų | 26 | 15% | 0.152 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 154 | 176 | 56.8 | -100.3 | 0 | 0 | 0 | 111.3 | M150 S165 S166 K198 D199 T251 F255 | M150-W253 CarbonylContact O-C 3.52Å; M150-W253 WeakPolarHBondContact O-CA 3.39Å; S165-W253 VanDerWaalsContact C-CH2 3.49Å; S165-W253 VanDerWaalsContact C-CZ3 3.48Å; S165-W253 WeakPolarHBondContact O-CH2 3.32Å; S165-W253 PolarHBondContact OG-O 2.59Å; S166-W253 PolarHBondContact N-O 3.07Å; S166-W253 PolarHBondContact OG-N 3.48Å; S166-W253 PolarHBondContact OG-O 3.5Å; K198-W253 VanDerWaalsContact C-CH2 3.43Å; D199-W253 HydrophobicContact CB-CD2 4.48Å; D199-W253 HydrophobicContact CB-CH2 3.83Å; D199-W253 HydrophobicContact CB-CZ2 3.54Å; D199-W253 HydrophobicContact CB-CZ3 4.35Å; T251-W253 PolarHBondContact O-N 2.71Å; W253-F255 HydrophobicContact CD2-CE2 4.46Å; W253-F255 AromaticContact CE3-CD2 3.68Å; W253-F255 HydrophobicContact CE3-CD2 3.68Å; W253-F255 AromaticContact CE3-CE2 3.62Å; W253-F255 HydrophobicContact CE3-CE2 3.62Å; W253-F255 AromaticContact CZ3-CD2 3.72Å; W253-F255 HydrophobicContact CZ3-CD2 3.72Å; W253-F255 AromaticContact CZ3-CE2 3.81Å; W253-F255 HydrophobicContact CZ3-CE2 3.81Å |
| 254 | C | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.1 | 165.2 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | M150 L162 S164 | M150-C254 WeakPolarHBondContact CE-SG 3.09Å; M150-C254 PolarHBondContact N-O 3.12Å; M150-C254 PolarHBondContact O-N 2.98Å; L162-C254 HydrophobicContact CD1-CB 3.84Å; S164-C254 CarbonylContact O-C 3.58Å; S164-C254 VanDerWaalsContact O-CA 3.31Å; S164-C254 WeakPolarHBondContact O-CA 3.38Å; S164-C254 WeakPolarHBondContact O-CB 3.44Å |
| 255 | F | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.6 | 174.9 | -69.6 | -91.1 | 0 | 0 | 0 | 110.7 | I129 I147 I148 R149 L163 S164 D199 L201 I204 W253 | I129-F255 HydrophobicContact CD1-CD1 3.85Å; I129-F255 HydrophobicContact CD1-CE1 3.77Å; I129-F255 HydrophobicContact CG1-CE1 4.43Å; I147-F255 HydrophobicContact CG2-CD1 4.41Å; I148-F255 WeakPolarHBondContact O-CA 3.45Å; R149-F255 HydrophobicContact CB-CD1 3.81Å; R149-F255 HydrophobicContact CB-CE1 3.53Å; R149-F255 HydrophobicContact CB-CZ 4.17Å; R149-F255 HydrophobicContact CG-CD1 4.18Å; R149-F255 HydrophobicContact CG-CE1 3.69Å; R149-F255 HydrophobicContact CG-CE2 4.33Å; R149-F255 HydrophobicContact CG-CZ 3.78Å; L163-F255 PolarHBondContact N-O 3.46Å; S164-F255 PolarHBondContact O-N 2.77Å; S164-F255 WeakPolarHBondContact OG-CD2 3.45Å; D199-F255 WeakPolarHBondContact OD1-CE2 3.48Å; D199-F255 VanDerWaalsContact OD1-CZ 3.26Å; D199-F255 WeakPolarHBondContact OD1-CZ 3.44Å; L201-F255 HydrophobicContact CD2-CE1 3.99Å; L201-F255 HydrophobicContact CD2-CZ 3.94Å; I204-F255 HydrophobicContact CD1-CB 4.35Å; I204-F255 HydrophobicContact CD1-CD1 3.83Å; I204-F255 HydrophobicContact CD1-CD2 3.48Å; I204-F255 VanDerWaalsContact CD1-CD2 3.48Å; I204-F255 HydrophobicContact CD1-CE1 3.84Å; I204-F255 HydrophobicContact CD1-CE2 3.52Å; I204-F255 HydrophobicContact CD1-CG 3.63Å; I204-F255 HydrophobicContact CD1-CZ 3.69Å; I204-F255 HydrophobicContact CG2-CD1 4.19Å; W253-F255 HydrophobicContact CD2-CE2 4.46Å; W253-F255 AromaticContact CE3-CD2 3.68Å; W253-F255 HydrophobicContact CE3-CD2 3.68Å; W253-F255 AromaticContact CE3-CE2 3.62Å; W253-F255 HydrophobicContact CE3-CE2 3.62Å; W253-F255 AromaticContact CZ3-CD2 3.72Å; W253-F255 HydrophobicContact CZ3-CD2 3.72Å; W253-F255 AromaticContact CZ3-CE2 3.81Å; W253-F255 HydrophobicContact CZ3-CE2 3.81Å |
| 256 | G | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 155.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I147 I148 L161 | I147-G256 WeakPolarHBondContact CA-O 3.42Å; I148-G256 PolarHBondContact N-O 3.27Å; I148-G256 PolarHBondContact O-N 3.45Å; L161-G256 CarbonylContact O-C 3.59Å; L161-G256 WeakPolarHBondContact O-CA 3.32Å |
| 257 | V | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.9 | 179.8 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | L27 A29 D146 I147 L160 L161 L163 F207 I211 I259 | L27-V257 HydrophobicContact CD1-CG1 4.27Å; A29-V257 HydrophobicContact CB-CG1 4.1Å; A29-V257 HydrophobicContact CB-CG2 4.37Å; D146-V257 WeakPolarHBondContact O-CA 3.43Å; I147-V257 HydrophobicContact CG1-CG2 4.18Å; L160-V257 CarbonylContact C-O 3.51Å; L160-V257 WeakPolarHBondContact CA-O 3.47Å; L161-V257 HydrophobicContact CB-CB 4.45Å; L161-V257 PolarHBondContact N-O 2.94Å; L161-V257 PolarHBondContact O-N 3.09Å; L163-V257 HydrophobicContact CD1-CG2 3.5Å; L163-V257 VanDerWaalsContact CD1-CG2 3.5Å; L163-V257 HydrophobicContact CD2-CG2 3.9Å; L163-V257 HydrophobicContact CG-CG2 3.77Å; F207-V257 HydrophobicContact CD1-CG2 4.29Å; F207-V257 HydrophobicContact CE1-CG2 3.99Å; I211-V257 HydrophobicContact CD1-CB 4.37Å; I211-V257 HydrophobicContact CD1-CG1 4.22Å; V257-I259 PolarHBondContact O-N 3.3Å |
| 258 | V | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121.7 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | V142 Q143 G145 D146 I148 A158 L160 A261 | V142-V258 HydrophobicContact CG1-CG2 3.62Å; Q143-V258 WeakPolarHBondContact O-CB 3.15Å; G145-V258 PolarHBondContact N-O 3.36Å; D146-V258 HydrophobicContact CB-CG2 4.36Å; D146-V258 WeakPolarHBondContact O-CG2 3.43Å; D146-V258 PolarHBondContact O-N 2.91Å; I148-V258 HydrophobicContact CD1-CG2 3.55Å; I148-V258 HydrophobicContact CG1-CG2 3.95Å; A158-V258 HydrophobicContact CB-CG1 3.79Å; A158-V258 HydrophobicContact CB-CG2 4.4Å; L160-V258 HydrophobicContact CD2-CB 4.08Å; L160-V258 HydrophobicContact CD2-CG2 3.48Å; L160-V258 VanDerWaalsContact CD2-CG2 3.48Å; V258-A261 HydrophobicContact CG1-CB 4.24Å |
| 259 | I | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -55.9 | 176.2 | -50.6 | 178 | 0 | 0 | 0 | 110.8 | L27 V144 D159 L161 F223 V241 V257 | L27-I259 HydrophobicContact CD2-CB 4.46Å; L27-I259 HydrophobicContact CD2-CG2 4.04Å; V144-I259 WeakPolarHBondContact CG1-O 3.47Å; D159-I259 PolarHBondContact O-N 3.3Å; L161-I259 HydrophobicContact CB-CD1 3.9Å; L161-I259 HydrophobicContact CB-CG1 4.18Å; F223-I259 HydrophobicContact CE1-CD1 4.33Å; F223-I259 HydrophobicContact CE2-CD1 4.15Å; F223-I259 HydrophobicContact CE2-CG2 4.35Å; F223-I259 HydrophobicContact CZ-CD1 3.64Å; F223-I259 HydrophobicContact CZ-CG2 4.39Å; V241-I259 HydrophobicContact CG2-CD1 4.2Å; V257-I259 PolarHBondContact O-N 3.3Å |
| 260 | F | 94.5 | Very high | 87.9 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.8 | 179.7 | -54.2 | -57.1 | 0 | 0 | 0 | 110 | A158 D159 P216 F223 D264 T265 | A158-F260 WeakPolarHBondContact CB-O 3.48Å; D159-F260 HydrophobicContact CB-CB 3.97Å; D159-F260 HydrophobicContact CB-CD2 3.99Å; D159-F260 HydrophobicContact CB-CG 4.44Å; D159-F260 PolarHBondContact N-O 2.86Å; D159-F260 PolarHBondContact O-N 2.88Å; P216-F260 HydrophobicContact CB-CD1 4.01Å; P216-F260 HydrophobicContact CB-CE1 3.89Å; P216-F260 HydrophobicContact CB-CZ 4.35Å; F223-F260 HydrophobicContact CD2-CE2 4.22Å; F223-F260 AromaticContact CE2-CE2 3.83Å; F223-F260 HydrophobicContact CE2-CE2 3.83Å; F223-F260 HydrophobicContact CE2-CZ 4.18Å; F260-D264 HydrophobicContact CB-CB 4.15Å; F260-D264 HydrophobicContact CD1-CB 4.47Å; F260-T265 HydrophobicContact CB-CG2 4.34Å; F260-T265 VanDerWaalsContact O-CG2 3.27Å; F260-T265 WeakPolarHBondContact O-CG2 3.43Å |
| 261 | A | 93.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -127 | 147.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A41 N43 V144 V258 R263 D264 | A41-A261 WeakPolarHBondContact O-CB 3.46Å; N43-A261 HydrophobicContact CB-CB 4.08Å; V144-A261 HydrophobicContact CG2-CB 3.97Å; V258-A261 HydrophobicContact CG1-CB 4.24Å; A261-R263 PolarHBondContact O-N 3.44Å; A261-D264 PolarHBondContact O-N 3.42Å | ||
| 262 | G | 88.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | 58.1 | -121.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R42 N43 D264 T265 M268 | R42-G262 WeakPolarHBondContact O-CA 3.38Å; N43-G262 PolarHBondContact OD1-N 2.81Å; G262-D264 PolarHBondContact O-N 2.96Å; G262-T265 PolarHBondContact O-N 3.1Å; G262-T265 PolarHBondContact O-OG1 3.35Å; G262-M268 WeakPolarHBondContact O-CB 3.33Å; G262-M268 VanDerWaalsContact O-CG 3.28Å; G262-M268 WeakPolarHBondContact O-CG 3.19Å |
| 263 | R | 86.5 | Confident | 85 | Confident | 175 Ų | 175 | 35.1 Ų | 35.1 | 66% | 0.66 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -65.5 | -22.3 | -177.3 | -66.3 | -178.4 | 178.8 | 176.3 | -0 | 113.8 | A261 T265 | A261-R263 PolarHBondContact O-N 3.44Å; R263-T265 VanDerWaalsContact C-N 3.28Å |
| 264 | D | 91.1 | Very high | 83.3 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -80.8 | -12.1 | -178.7 | -66.4 | -4 | 0 | 0 | 0 | 112.6 | R25 P216 F260 A261 G262 | R25-D264 IonicContact CZ-OD2 3.06Å; R25-D264 VanDerWaalsContact CZ-OD2 3.25Å; R25-D264 IonicContact NH1-OD2 3.32Å; R25-D264 PolarHBondContact NH1-OD2 3.42Å; R25-D264 IonicContact NH2-OD2 2.74Å; R25-D264 PolarHBondContact NH2-OD2 2.84Å; P216-D264 HydrophobicContact CB-CB 4.04Å; P216-D264 WeakPolarHBondContact CB-O 3.29Å; P216-D264 HydrophobicContact CG-CB 4.24Å; F260-D264 HydrophobicContact CB-CB 4.15Å; F260-D264 HydrophobicContact CD1-CB 4.47Å; A261-D264 PolarHBondContact O-N 3.42Å; G262-D264 PolarHBondContact O-N 2.96Å |
| 265 | T | 89.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -67.5 | 143.9 | 177.5 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | D159 R244 F260 G262 R263 L267 M268 M269 | D159-T265 WeakPolarHBondContact OD2-CA 3.43Å; R244-T265 HydrophobicContact CB-CG2 4.09Å; R244-T265 WeakPolarHBondContact CD-OG1 3.47Å; F260-T265 HydrophobicContact CB-CG2 4.34Å; F260-T265 VanDerWaalsContact O-CG2 3.27Å; F260-T265 WeakPolarHBondContact O-CG2 3.43Å; G262-T265 PolarHBondContact O-N 3.1Å; G262-T265 PolarHBondContact O-OG1 3.35Å; R263-T265 VanDerWaalsContact C-N 3.28Å; T265-L267 PolarHBondContact O-N 3.4Å; T265-L267 VanDerWaalsContact O-N 3.16Å; T265-M268 PolarHBondContact O-N 3.41Å; T265-M268 VanDerWaalsContact OG1-CG 3.31Å; T265-M268 WeakPolarHBondContact OG1-CG 3.23Å; T265-M269 PolarHBondContact O-N 3.49Å |
| 266 | K | 85.9 | Confident | 80.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -34.4 | -177 | -59.8 | -164.6 | 173.9 | -172.1 | 0 | 113.2 | D159 N219 L220 S222 L243 N270 | D159-K266 PolarHBondContact OD2-N 2.94Å; N219-K266 WeakPolarHBondContact O-CD 3.23Å; N219-K266 WeakPolarHBondContact O-CE 3.42Å; N219-K266 PolarHBondContact O-NZ 2.95Å; L220-K266 HydrophobicContact CD2-CB 3.91Å; S222-K266 PolarHBondContact O-NZ 3.25Å; L243-K266 HydrophobicContact CD1-CD 4.41Å; L243-K266 HydrophobicContact CD2-CD 3.86Å; L243-K266 HydrophobicContact CD2-CG 4.29Å; K266-N270 PolarHBondContact O-N 3.39Å; K266-N270 VanDerWaalsContact O-N 3.13Å; K266-N270 PolarHBondContact O-ND2 2.95Å |
| 267 | L | 81.5 | Confident | 79.1 | Confident | 28 Ų | 28 | 54 Ų | 54 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 174.2 | -178.7 | 66.6 | 0 | 0 | 0 | 111.9 | L179 R244 T265 M269 N270 S271 | L179-L267 HydrophobicContact CD2-CB 3.87Å; L179-L267 HydrophobicContact CD2-CD1 3.68Å; L179-L267 HydrophobicContact CD2-CG 4.28Å; R244-L267 HydrophobicContact CB-CB 4.48Å; R244-L267 HydrophobicContact CG-CD2 4.22Å; T265-L267 PolarHBondContact O-N 3.4Å; T265-L267 VanDerWaalsContact O-N 3.16Å; L267-M269 VanDerWaalsContact C-N 3.35Å; L267-N270 CarbonylContact O-C 3.58Å; L267-N270 PolarHBondContact O-N 3.38Å; L267-S271 PolarHBondContact O-N 2.72Å; L267-S271 PolarHBondContact O-OG 3.49Å |
| 268 | M | 80.2 | Confident | 78.1 | Confident | 47 Ų | 47 | 61 Ų | 61 | 23% | 0.232 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.3 | -32 | -177.8 | -70.8 | -54.3 | -57.5 | 0 | 0 | 112.2 | I45 G262 T265 N270 S271 | I45-M268 HydrophobicContact CD1-CE 4.32Å; I45-M268 HydrophobicContact CD1-CG 4.1Å; I45-M268 HydrophobicContact CD1-SD 3.56Å; I45-M268 VanDerWaalsContact CD1-SD 3.56Å; I45-M268 HydrophobicContact CG1-SD 4.3Å; I45-M268 HydrophobicContact CG2-CE 4.11Å; G262-M268 WeakPolarHBondContact O-CB 3.33Å; G262-M268 VanDerWaalsContact O-CG 3.28Å; G262-M268 WeakPolarHBondContact O-CG 3.19Å; T265-M268 PolarHBondContact O-N 3.41Å; T265-M268 VanDerWaalsContact OG1-CG 3.31Å; T265-M268 WeakPolarHBondContact OG1-CG 3.23Å; M268-N270 VanDerWaalsContact C-N 3.31Å; M268-S271 PolarHBondContact O-N 2.9Å |
| 269 | M | 79.1 | Confident | 77.5 | Confident | 71 Ų | 71 | 61 Ų | 61 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 171.3 | -68.7 | -164.3 | 155.8 | 0 | 0 | 112.5 | P216 N217 N218 T265 L267 | P216-M269 HydrophobicContact CB-CE 3.48Å; P216-M269 VanDerWaalsContact CB-CE 3.48Å; P216-M269 HydrophobicContact CB-SD 4.08Å; P216-M269 HydrophobicContact CG-CE 3.74Å; P216-M269 WeakPolarHBondContact O-CE 3.5Å; N217-M269 VanDerWaalsContact C-SD 3.52Å; N218-M269 HydrophobicContact CB-CB 4.11Å; T265-M269 PolarHBondContact O-N 3.49Å; L267-M269 VanDerWaalsContact C-N 3.35Å |
| 270 | N | 69.6 | Low | 77.1 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -81.9 | -12.8 | 175.7 | -76.4 | -57 | 0 | 0 | 0 | 114.4 | N218 K266 L267 M268 G272 | N218-N270 PolarHBondContact O-ND2 3.15Å; N218-N270 PolarHBondContact O-OD1 2.93Å; K266-N270 PolarHBondContact O-N 3.39Å; K266-N270 VanDerWaalsContact O-N 3.13Å; K266-N270 PolarHBondContact O-ND2 2.95Å; L267-N270 CarbonylContact O-C 3.58Å; L267-N270 PolarHBondContact O-N 3.38Å; M268-N270 VanDerWaalsContact C-N 3.31Å; N270-G272 PolarHBondContact O-N 3.09Å; N270-G272 VanDerWaalsContact O-N 3.16Å |
| 271 | S | 63.3 | Low | 76.7 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14.2 | -176.3 | -67.3 | 0 | 0 | 0 | 0 | 114 | L267 M268 K882 | L267-S271 PolarHBondContact O-N 2.72Å; L267-S271 PolarHBondContact O-OG 3.49Å; M268-S271 PolarHBondContact O-N 2.9Å; S271-K882 PolarHBondContact O-NZ 2.84Å |
| 272 | G | 61.5 | Low | 76.3 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | trans | 60.9 | 172.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N270 | N270-G272 PolarHBondContact O-N 3.09Å; N270-G272 VanDerWaalsContact O-N 3.16Å | ||
| 273 | K | 61 | Low | 76.2 | Confident | 175 Ų | 175 | 70 Ų | 70 | 76% | 0.761 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 137.6 | 169.1 | -67.3 | -179.6 | -177.5 | 174.7 | 0 | 109.1 | F275 | K273-F275 WeakPolarHBondContact O-CD2 3.42Å; K273-F275 WeakPolarHBondContact O-CE2 3.35Å; K273-F275 PolarHBondContact O-N 3.17Å |
| 274 | T | 58.1 | Low | 76.2 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 122.7 | 172.2 | 48 | 0 | 0 | 0 | 0 | 109.5 | ||
| 275 | F | 59.1 | Low | 76.1 | Confident | 165 Ų | 165 | 63.2 Ų | 63.2 | 72% | 0.724 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 138 | 177.2 | -63.4 | -80.7 | 0 | 0 | 0 | 110.1 | K273 K277 | K273-F275 WeakPolarHBondContact O-CD2 3.42Å; K273-F275 WeakPolarHBondContact O-CE2 3.35Å; K273-F275 PolarHBondContact O-N 3.17Å; F275-K277 PolarHBondContact O-N 3.3Å |
| 276 | F | 63.5 | Low | 75.9 | Confident | 133 Ų | 133 | 65.1 Ų | 65.1 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | trans | -75.6 | 114.3 | 170.4 | -176.3 | -96.8 | 0 | 0 | 0 | 109 | R278 | F276-R278 HydrophobicContact CD1-CG 3.86Å; F276-R278 HydrophobicContact CE1-CG 3.81Å | ||
| 277 | K | 71.1 | Confident | 76.1 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | trans | -82 | 128.7 | 178.4 | -56.9 | -167.5 | -172.9 | 178.5 | 0 | 109.3 | F275 L398 I881 A884 H885 D903 | F275-K277 PolarHBondContact O-N 3.3Å; K277-L398 HydrophobicContact CB-CD1 4.27Å; K277-L398 HydrophobicContact CB-CD2 3.99Å; K277-L398 HydrophobicContact CD-CD1 4.15Å; K277-I881 PolarHBondContact NZ-O 3.17Å; K277-I881 VanDerWaalsContact NZ-O 3.13Å; K277-A884 VanDerWaalsContact CE-O 3.31Å; K277-A884 WeakPolarHBondContact CE-O 3.5Å; K277-A884 PolarHBondContact NZ-O 3.49Å; K277-H885 WeakPolarHBondContact CD-O 3.35Å; K277-D903 WeakPolarHBondContact CE-OD2 3.48Å; K277-D903 IonicContact NZ-OD2 3.43Å; K277-D903 PolarHBondContact NZ-OD2 2.73Å | ||
| 278 | R | 73.5 | Confident | 76.5 | Confident | 147 Ų | 147 | 67.9 Ų | 67.9 | 56% | 0.555 | 34% | 0.339 | S | S | * | . | trans | -107.5 | 134.5 | 175.2 | -68.9 | -177.2 | -177.2 | 179.1 | 1.1 | 109 | F276 | F276-R278 HydrophobicContact CD1-CG 3.86Å; F276-R278 HydrophobicContact CE1-CG 3.81Å | ||
| 279 | T | 83.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -72.3 | 159.4 | -177.5 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | L281 D282 R283 T397 L398 E400 E401 | T279-L281 PolarHBondContact O-N 3.47Å; T279-D282 PolarHBondContact O-N 2.8Å; T279-D282 VanDerWaalsContact OG1-CG 3.31Å; T279-D282 PolarHBondContact OG1-N 3.44Å; T279-D282 VanDerWaalsContact OG1-N 3.09Å; T279-D282 PolarHBondContact OG1-OD2 2.79Å; T279-R283 PolarHBondContact O-N 3.46Å; T279-T397 WeakPolarHBondContact CG2-O 3.44Å; T279-L398 HydrophobicContact CG2-CD2 3.77Å; T279-E400 WeakPolarHBondContact CG2-OE1 3.48Å; T279-E400 PolarHBondContact OG1-OE1 2.66Å; T279-E401 HydrophobicContact CG2-CB 4.19Å | ||
| 280 | S | 84.2 | Confident | 77.3 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.6 | -40 | 168.9 | 73.4 | 0 | 0 | 0 | 0 | 111.9 | R283 F284 E401 Q404 | S280-R283 PolarHBondContact O-N 3.35Å; S280-F284 PolarHBondContact O-N 3.22Å; S280-E401 PolarHBondContact N-OE1 2.95Å; S280-Q404 PolarHBondContact OG-NE2 2.93Å; S280-Q404 PolarHBondContact OG-OE1 2.99Å |
| 281 | L | 86 | Confident | 78.3 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 179.8 | -167.1 | 153.5 | 0 | 0 | 0 | 111.9 | T279 R283 F284 L285 E400 M927 L931 | T279-L281 PolarHBondContact O-N 3.47Å; L281-R283 VanDerWaalsContact C-N 3.31Å; L281-R283 PolarHBondContact O-N 3.04Å; L281-F284 PolarHBondContact O-N 3.15Å; L281-L285 WeakPolarHBondContact O-CB 3.21Å; L281-L285 PolarHBondContact O-N 3.48Å; L281-E400 HydrophobicContact CD1-CG 4.36Å; L281-M927 HydrophobicContact CD1-CG 3.73Å; L281-L931 HydrophobicContact CD1-CD1 3.69Å; L281-L931 HydrophobicContact CD2-CD1 3.48Å; L281-L931 VanDerWaalsContact CD2-CD1 3.48Å; L281-L931 HydrophobicContact CG-CD1 3.94Å |
| 282 | D | 84.9 | Confident | 79.5 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.2 | -77.1 | -18.3 | 0 | 0 | 0 | 111.8 | T279 L285 N286 R369 | T279-D282 PolarHBondContact O-N 2.8Å; T279-D282 VanDerWaalsContact OG1-CG 3.31Å; T279-D282 PolarHBondContact OG1-N 3.44Å; T279-D282 VanDerWaalsContact OG1-N 3.09Å; T279-D282 PolarHBondContact OG1-OD2 2.79Å; D282-L285 PolarHBondContact O-N 2.9Å; D282-N286 VanDerWaalsContact O-CG 3.31Å; D282-N286 PolarHBondContact O-N 3.44Å; D282-N286 PolarHBondContact O-ND2 2.88Å; D282-R369 IonicContact OD1-CZ 3.37Å; D282-R369 IonicContact OD1-NH1 3.01Å; D282-R369 PolarHBondContact OD1-NH1 3.31Å; D282-R369 IonicContact OD1-NH2 2.84Å; D282-R369 PolarHBondContact OD1-NH2 3.44Å; D282-R369 IonicContact OD2-NH1 2.79Å; D282-R369 IonicContact OD2-NH2 2.79Å; D282-R369 PolarHBondContact OD2-NH2 2.7Å |
| 283 | R | 86.2 | Confident | 80.8 | Confident | 132 Ų | 132 | 62.7 Ų | 62.7 | 50% | 0.498 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 175.4 | -73.5 | -176.9 | -78.5 | 178.5 | -4.9 | 110.9 | T279 S280 L281 N286 V287 | T279-R283 PolarHBondContact O-N 3.46Å; S280-R283 PolarHBondContact O-N 3.35Å; L281-R283 VanDerWaalsContact C-N 3.31Å; L281-R283 PolarHBondContact O-N 3.04Å; R283-N286 PolarHBondContact O-N 2.83Å; R283-V287 PolarHBondContact O-N 3.31Å |
| 284 | F | 88.6 | Confident | 82.3 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 25% | 0.254 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 177 | -175.5 | -120.6 | 0 | 0 | 0 | 112.1 | S280 L281 N286 V287 L288 F1008 M1010 | S280-F284 PolarHBondContact O-N 3.22Å; L281-F284 PolarHBondContact O-N 3.15Å; F284-N286 VanDerWaalsContact C-N 3.32Å; F284-N286 PolarHBondContact O-N 3.29Å; F284-V287 WeakPolarHBondContact O-CB 3.34Å; F284-V287 PolarHBondContact O-N 3.09Å; F284-V287 VanDerWaalsContact O-N 3.08Å; F284-L288 HydrophobicContact CD1-CD1 4.02Å; F284-L288 HydrophobicContact CD1-CG 4.34Å; F284-L288 HydrophobicContact CE1-CD1 3.65Å; F284-L288 HydrophobicContact CE1-CD2 4.23Å; F284-L288 HydrophobicContact CE1-CG 4.03Å; F284-L288 HydrophobicContact CE2-CD2 4.2Å; F284-L288 HydrophobicContact CE2-CG 4.4Å; F284-L288 HydrophobicContact CZ-CD1 4.1Å; F284-L288 HydrophobicContact CZ-CD2 3.8Å; F284-L288 HydrophobicContact CZ-CG 4.04Å; F284-L288 WeakPolarHBondContact O-CG 3.41Å; F284-L288 PolarHBondContact O-N 2.93Å; F284-F1008 AromaticContact CD1-CD1 3.86Å; F284-F1008 HydrophobicContact CD1-CD1 3.86Å; F284-F1008 AromaticContact CD1-CE1 3.76Å; F284-F1008 HydrophobicContact CD1-CE1 3.76Å; F284-F1008 AromaticContact CE1-CD1 3.65Å; F284-F1008 HydrophobicContact CE1-CD1 3.65Å; F284-F1008 AromaticContact CE1-CE1 3.51Å; F284-F1008 HydrophobicContact CE1-CE1 3.51Å; F284-F1008 HydrophobicContact CE1-CZ 4.48Å; F284-M1010 HydrophobicContact CZ-CB 4.46Å |
| 285 | L | 87.8 | Confident | 83.9 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 177.5 | 179.8 | 65.1 | 0 | 0 | 0 | 111.9 | L281 D282 V287 L288 I289 L361 Y362 F935 | L281-L285 WeakPolarHBondContact O-CB 3.21Å; L281-L285 PolarHBondContact O-N 3.48Å; D282-L285 PolarHBondContact O-N 2.9Å; L285-V287 VanDerWaalsContact C-N 3.3Å; L285-V287 PolarHBondContact O-N 2.74Å; L285-L288 PolarHBondContact O-N 3.47Å; L285-I289 HydrophobicContact CD1-CD1 4.02Å; L285-I289 HydrophobicContact CD1-CG1 4.31Å; L285-I289 HydrophobicContact CD2-CD1 4.38Å; L285-I289 HydrophobicContact CG-CD1 3.81Å; L285-I289 HydrophobicContact CG-CG1 4.48Å; L285-I289 WeakPolarHBondContact O-CG1 3.42Å; L285-I289 PolarHBondContact O-N 3.17Å; L285-L361 HydrophobicContact CD1-CD2 3.7Å; L285-L361 HydrophobicContact CD2-CD2 4.11Å; L285-L361 HydrophobicContact CG-CD2 4.44Å; L285-Y362 HydrophobicContact CD2-CD1 4.39Å; L285-Y362 HydrophobicContact CD2-CE1 3.77Å; L285-F935 HydrophobicContact CD1-CE2 4.1Å; L285-F935 HydrophobicContact CD1-CZ 3.62Å |
| 286 | N | 85.8 | Confident | 85.4 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.214 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -38.2 | 175.2 | -70 | -31.9 | 0 | 0 | 0 | 112 | D282 R283 F284 I289 I290 | D282-N286 VanDerWaalsContact O-CG 3.31Å; D282-N286 PolarHBondContact O-N 3.44Å; D282-N286 PolarHBondContact O-ND2 2.88Å; R283-N286 PolarHBondContact O-N 2.83Å; F284-N286 VanDerWaalsContact C-N 3.32Å; F284-N286 PolarHBondContact O-N 3.29Å; N286-I289 PolarHBondContact O-N 3Å; N286-I290 WeakPolarHBondContact O-CD1 3.46Å; N286-I290 VanDerWaalsContact O-CG1 3.26Å; N286-I290 WeakPolarHBondContact O-CG1 3.45Å; N286-I290 PolarHBondContact O-N 3.45Å |
| 287 | V | 89.6 | Confident | 86.7 | Confident | 85 Ų | 85 | 47.5 Ų | 47.5 | 52% | 0.515 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 174.5 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | R283 F284 L285 I289 I290 G291 | R283-V287 PolarHBondContact O-N 3.31Å; F284-V287 WeakPolarHBondContact O-CB 3.34Å; F284-V287 PolarHBondContact O-N 3.09Å; F284-V287 VanDerWaalsContact O-N 3.08Å; L285-V287 VanDerWaalsContact C-N 3.3Å; L285-V287 PolarHBondContact O-N 2.74Å; V287-I289 VanDerWaalsContact C-N 3.35Å; V287-I289 PolarHBondContact O-N 3.34Å; V287-I290 PolarHBondContact O-N 3.46Å; V287-G291 PolarHBondContact O-N 3.1Å |
| 288 | L | 89.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 176 | -67 | -177.9 | 0 | 0 | 0 | 111.5 | F284 L285 I290 G291 I292 F935 F1008 M1010 F1013 | F284-L288 HydrophobicContact CD1-CD1 4.02Å; F284-L288 HydrophobicContact CD1-CG 4.34Å; F284-L288 HydrophobicContact CE1-CD1 3.65Å; F284-L288 HydrophobicContact CE1-CD2 4.23Å; F284-L288 HydrophobicContact CE1-CG 4.03Å; F284-L288 HydrophobicContact CE2-CD2 4.2Å; F284-L288 HydrophobicContact CE2-CG 4.4Å; F284-L288 HydrophobicContact CZ-CD1 4.1Å; F284-L288 HydrophobicContact CZ-CD2 3.8Å; F284-L288 HydrophobicContact CZ-CG 4.04Å; F284-L288 WeakPolarHBondContact O-CG 3.41Å; F284-L288 PolarHBondContact O-N 2.93Å; L285-L288 PolarHBondContact O-N 3.47Å; L288-I290 PolarHBondContact O-N 3.23Å; L288-G291 CarbonylContact O-C 3.55Å; L288-G291 WeakPolarHBondContact O-CA 3.28Å; L288-G291 PolarHBondContact O-N 3.43Å; L288-G291 VanDerWaalsContact O-N 3.13Å; L288-I292 VanDerWaalsContact O-CG1 3.28Å; L288-I292 WeakPolarHBondContact O-CG1 3.47Å; L288-I292 PolarHBondContact O-N 3.03Å; L288-F935 HydrophobicContact CD1-CE2 4.22Å; L288-F1008 HydrophobicContact CD1-CE1 3.74Å; L288-F1008 HydrophobicContact CD1-CZ 3.84Å; L288-M1010 HydrophobicContact CD2-CE 4Å; L288-M1010 HydrophobicContact CD2-SD 3.57Å; L288-M1010 VanDerWaalsContact CD2-SD 3.57Å; L288-F1013 HydrophobicContact CD1-CD2 3.93Å; L288-F1013 HydrophobicContact CD1-CE2 4.31Å; L288-F1013 HydrophobicContact CD1-CG 4.19Å; L288-F1013 HydrophobicContact CD2-CB 4.41Å; L288-F1013 HydrophobicContact CD2-CD1 3.69Å; L288-F1013 HydrophobicContact CD2-CD2 4.24Å; L288-F1013 HydrophobicContact CD2-CE1 3.96Å; L288-F1013 HydrophobicContact CD2-CE2 4.47Å; L288-F1013 HydrophobicContact CD2-CG 3.84Å; L288-F1013 HydrophobicContact CD2-CZ 4.34Å |
| 289 | I | 86.7 | Confident | 88.6 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | -179.8 | -71.3 | 166.9 | 0 | 0 | 0 | 111.4 | L285 N286 V287 G291 I292 V293 V357 Y362 | L285-I289 HydrophobicContact CD1-CD1 4.02Å; L285-I289 HydrophobicContact CD1-CG1 4.31Å; L285-I289 HydrophobicContact CD2-CD1 4.38Å; L285-I289 HydrophobicContact CG-CD1 3.81Å; L285-I289 HydrophobicContact CG-CG1 4.48Å; L285-I289 WeakPolarHBondContact O-CG1 3.42Å; L285-I289 PolarHBondContact O-N 3.17Å; N286-I289 PolarHBondContact O-N 3Å; V287-I289 VanDerWaalsContact C-N 3.35Å; V287-I289 PolarHBondContact O-N 3.34Å; I289-G291 VanDerWaalsContact C-N 3.29Å; I289-G291 PolarHBondContact O-N 3.21Å; I289-I292 PolarHBondContact O-N 3.17Å; I289-V293 HydrophobicContact CG2-CG2 4.31Å; I289-V293 VanDerWaalsContact O-CG2 3.32Å; I289-V293 WeakPolarHBondContact O-CG2 3.5Å; I289-V293 PolarHBondContact O-N 2.9Å; I289-V357 HydrophobicContact CG2-CG1 4.07Å; I289-Y362 HydrophobicContact CD1-CE2 3.84Å; I289-Y362 WeakPolarHBondContact CD1-OH 3.44Å |
| 290 | I | 88.5 | Confident | 89 | Confident | 90 Ų | 90 | 42.2 Ų | 42.2 | 46% | 0.462 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 172.4 | -68.9 | 164.3 | 0 | 0 | 0 | 110 | L67 N286 V287 L288 I292 V293 L294 | L67-I290 HydrophobicContact CD1-CD1 4.35Å; N286-I290 WeakPolarHBondContact O-CD1 3.46Å; N286-I290 VanDerWaalsContact O-CG1 3.26Å; N286-I290 WeakPolarHBondContact O-CG1 3.45Å; N286-I290 PolarHBondContact O-N 3.45Å; V287-I290 PolarHBondContact O-N 3.46Å; L288-I290 PolarHBondContact O-N 3.23Å; I290-I292 VanDerWaalsContact C-N 3.35Å; I290-I292 PolarHBondContact O-N 2.86Å; I290-V293 PolarHBondContact O-N 2.86Å; I290-L294 HydrophobicContact CG2-CD1 4.25Å; I290-L294 WeakPolarHBondContact O-CG 3.15Å; I290-L294 PolarHBondContact O-N 2.95Å |
| 291 | G | 90.5 | Very high | 89.4 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | V287 L288 I289 L294 F295 | V287-G291 PolarHBondContact O-N 3.1Å; L288-G291 CarbonylContact O-C 3.55Å; L288-G291 WeakPolarHBondContact O-CA 3.28Å; L288-G291 PolarHBondContact O-N 3.43Å; L288-G291 VanDerWaalsContact O-N 3.13Å; I289-G291 VanDerWaalsContact C-N 3.29Å; I289-G291 PolarHBondContact O-N 3.21Å; G291-L294 PolarHBondContact O-N 2.79Å; G291-F295 WeakPolarHBondContact O-CB 3.41Å; G291-F295 PolarHBondContact O-N 3.48Å |
| 292 | I | 90.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 176.8 | -69.1 | 167.8 | 0 | 0 | 0 | 111.3 | L288 I289 I290 L294 F295 L296 V356 V357 F935 F939 F1013 | L288-I292 VanDerWaalsContact O-CG1 3.28Å; L288-I292 WeakPolarHBondContact O-CG1 3.47Å; L288-I292 PolarHBondContact O-N 3.03Å; I289-I292 PolarHBondContact O-N 3.17Å; I290-I292 VanDerWaalsContact C-N 3.35Å; I290-I292 PolarHBondContact O-N 2.86Å; I292-L294 VanDerWaalsContact C-N 3.33Å; I292-L294 PolarHBondContact O-N 2.94Å; I292-F295 WeakPolarHBondContact O-CB 3.41Å; I292-F295 PolarHBondContact O-N 2.93Å; I292-L296 WeakPolarHBondContact O-CB 3.46Å; I292-L296 PolarHBondContact O-N 3.2Å; I292-V356 HydrophobicContact CG2-CB 4.32Å; I292-V356 HydrophobicContact CG2-CG1 3.43Å; I292-V356 VanDerWaalsContact CG2-CG1 3.43Å; I292-V357 HydrophobicContact CG2-CG2 3.75Å; I292-F935 HydrophobicContact CD1-CD1 3.96Å; I292-F935 HydrophobicContact CD1-CE1 3.48Å; I292-F935 VanDerWaalsContact CD1-CE1 3.48Å; I292-F935 HydrophobicContact CD1-CZ 4.31Å; I292-F939 HydrophobicContact CG1-CZ 4.23Å; I292-F1013 HydrophobicContact CD1-CE2 4.16Å; I292-F1013 HydrophobicContact CD1-CZ 3.93Å; I292-F1013 HydrophobicContact CG1-CZ 3.96Å |
| 293 | V | 88.9 | Confident | 90.1 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 19% | 0.194 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | Y71 I289 I290 L296 L297 V357 | Y71-V293 HydrophobicContact CD2-CG2 4.34Å; Y71-V293 HydrophobicContact CE2-CG2 4.17Å; I289-V293 HydrophobicContact CG2-CG2 4.31Å; I289-V293 VanDerWaalsContact O-CG2 3.32Å; I289-V293 WeakPolarHBondContact O-CG2 3.5Å; I289-V293 PolarHBondContact O-N 2.9Å; I290-V293 PolarHBondContact O-N 2.86Å; V293-L296 WeakPolarHBondContact O-CB 3.22Å; V293-L296 PolarHBondContact O-N 2.89Å; V293-L297 HydrophobicContact CG1-CD1 4.15Å; V293-L297 HydrophobicContact CG1-CG 4.44Å; V293-L297 VanDerWaalsContact O-CG 3.26Å; V293-L297 WeakPolarHBondContact O-CG 3.25Å; V293-L297 PolarHBondContact O-N 2.96Å; V293-V357 HydrophobicContact CG2-CG2 3.83Å |
| 294 | L | 91.4 | Very high | 90.4 | Very high | 112 Ų | 112 | 40.3 Ų | 40.3 | 59% | 0.586 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.9 | -42.3 | 174.2 | -69.9 | 173.2 | 0 | 0 | 0 | 111.9 | I290 G291 I292 L297 S298 | I290-L294 HydrophobicContact CG2-CD1 4.25Å; I290-L294 WeakPolarHBondContact O-CG 3.15Å; I290-L294 PolarHBondContact O-N 2.95Å; G291-L294 PolarHBondContact O-N 2.79Å; I292-L294 VanDerWaalsContact C-N 3.33Å; I292-L294 PolarHBondContact O-N 2.94Å; L294-L297 PolarHBondContact O-N 3.39Å; L294-S298 PolarHBondContact O-N 2.84Å |
| 295 | F | 90.9 | Very high | 90.6 | Very high | 76 Ų | 76 | 43.4 Ų | 43.4 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.3 | 177.3 | -105.6 | 0 | 0 | 0 | 111.7 | G291 I292 S298 M299 F939 | G291-F295 WeakPolarHBondContact O-CB 3.41Å; G291-F295 PolarHBondContact O-N 3.48Å; I292-F295 WeakPolarHBondContact O-CB 3.41Å; I292-F295 PolarHBondContact O-N 2.93Å; F295-S298 PolarHBondContact O-N 3.21Å; F295-S298 PolarHBondContact O-OG 3.01Å; F295-M299 HydrophobicContact CD1-CG 4.44Å; F295-M299 HydrophobicContact CE1-CG 4.05Å; F295-M299 HydrophobicContact CE1-SD 3.82Å; F295-M299 HydrophobicContact CE2-CG 4.26Å; F295-M299 HydrophobicContact CE2-SD 4.35Å; F295-M299 HydrophobicContact CZ-CE 4.26Å; F295-M299 HydrophobicContact CZ-CG 3.95Å; F295-M299 HydrophobicContact CZ-SD 3.59Å; F295-M299 VanDerWaalsContact CZ-SD 3.59Å; F295-M299 WeakPolarHBondContact O-CG 3.15Å; F295-M299 PolarHBondContact O-N 3.24Å; F295-F939 HydrophobicContact CD1-CE1 4.4Å; F295-F939 HydrophobicContact CE1-CE1 4.25Å |
| 296 | L | 91.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.7 | -53.5 | 174.3 | 170.4 | 67.4 | 0 | 0 | 0 | 111.4 | Y71 I292 V293 S298 M299 C300 L353 | Y71-L296 WeakPolarHBondContact OH-CD2 3.35Å; I292-L296 WeakPolarHBondContact O-CB 3.46Å; I292-L296 PolarHBondContact O-N 3.2Å; V293-L296 WeakPolarHBondContact O-CB 3.22Å; V293-L296 PolarHBondContact O-N 2.89Å; L296-S298 PolarHBondContact O-N 3.17Å; L296-M299 PolarHBondContact O-N 3.16Å; L296-M299 VanDerWaalsContact O-N 3.1Å; L296-C300 PolarHBondContact O-N 3.41Å; L296-C300 PolarHBondContact O-SG 3.26Å; L296-L353 HydrophobicContact CD1-CB 3.29Å; L296-L353 HydrophobicContact CD1-CD1 4.32Å; L296-L353 HydrophobicContact CD1-CG 4.45Å; L296-L353 WeakPolarHBondContact CD1-O 3.33Å |
| 297 | L | 91.5 | Very high | 91.1 | Very high | 67 Ų | 67 | 44 Ų | 44 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58 | -40 | 179.5 | -68.6 | 171.4 | 0 | 0 | 0 | 111.2 | V293 L294 C300 T301 F346 V350 | V293-L297 HydrophobicContact CG1-CD1 4.15Å; V293-L297 HydrophobicContact CG1-CG 4.44Å; V293-L297 VanDerWaalsContact O-CG 3.26Å; V293-L297 WeakPolarHBondContact O-CG 3.25Å; V293-L297 PolarHBondContact O-N 2.96Å; L294-L297 PolarHBondContact O-N 3.39Å; L297-C300 PolarHBondContact O-N 3.38Å; L297-T301 WeakPolarHBondContact O-CG2 3.48Å; L297-T301 PolarHBondContact O-N 3.47Å; L297-T301 PolarHBondContact O-OG1 3.05Å; L297-F346 HydrophobicContact CD2-CZ 3.85Å; L297-V350 HydrophobicContact CD2-CG2 4.39Å |
| 298 | S | 92.5 | Very high | 91.1 | Very high | 49 Ų | 49 | 40.5 Ų | 40.5 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.7 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | L294 F295 L296 C300 T301 I302 | L294-S298 PolarHBondContact O-N 2.84Å; F295-S298 PolarHBondContact O-N 3.21Å; F295-S298 PolarHBondContact O-OG 3.01Å; L296-S298 PolarHBondContact O-N 3.17Å; S298-C300 PolarHBondContact O-N 3.39Å; S298-T301 WeakPolarHBondContact CA-OG1 3.38Å; S298-T301 PolarHBondContact O-N 3.28Å; S298-T301 PolarHBondContact O-OG1 2.75Å; S298-I302 WeakPolarHBondContact O-CG1 3.31Å; S298-I302 PolarHBondContact O-N 3.43Å |
| 299 | M | 91.4 | Very high | 91.1 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.4 | -61.5 | -131.6 | 95.6 | 0 | 0 | 111.2 | F295 L296 T301 I302 C303 L353 L943 F946 | F295-M299 HydrophobicContact CD1-CG 4.44Å; F295-M299 HydrophobicContact CE1-CG 4.05Å; F295-M299 HydrophobicContact CE1-SD 3.82Å; F295-M299 HydrophobicContact CE2-CG 4.26Å; F295-M299 HydrophobicContact CE2-SD 4.35Å; F295-M299 HydrophobicContact CZ-CE 4.26Å; F295-M299 HydrophobicContact CZ-CG 3.95Å; F295-M299 HydrophobicContact CZ-SD 3.59Å; F295-M299 VanDerWaalsContact CZ-SD 3.59Å; F295-M299 WeakPolarHBondContact O-CG 3.15Å; F295-M299 PolarHBondContact O-N 3.24Å; L296-M299 PolarHBondContact O-N 3.16Å; L296-M299 VanDerWaalsContact O-N 3.1Å; M299-T301 VanDerWaalsContact C-N 3.32Å; M299-T301 PolarHBondContact O-N 3.22Å; M299-I302 PolarHBondContact O-N 3.01Å; M299-I302 VanDerWaalsContact O-N 3.17Å; M299-C303 PolarHBondContact O-N 3.18Å; M299-C303 PolarHBondContact O-SG 3.47Å; M299-C303 VanDerWaalsContact O-SG 3.4Å; M299-L353 HydrophobicContact CB-CD1 4.44Å; M299-L943 HydrophobicContact SD-CD2 4.23Å; M299-F946 HydrophobicContact CE-CD1 3.91Å; M299-F946 HydrophobicContact CE-CD2 3.76Å; M299-F946 HydrophobicContact CE-CE1 3.47Å; M299-F946 VanDerWaalsContact CE-CE1 3.47Å; M299-F946 HydrophobicContact CE-CE2 3.31Å; M299-F946 HydrophobicContact CE-CG 4.05Å; M299-F946 HydrophobicContact CE-CZ 3.15Å; M299-F946 HydrophobicContact SD-CD1 4.33Å; M299-F946 HydrophobicContact SD-CD2 3.84Å; M299-F946 HydrophobicContact SD-CE1 4.46Å; M299-F946 HydrophobicContact SD-CE2 3.99Å; M299-F946 HydrophobicContact SD-CG 4.03Å; M299-F946 HydrophobicContact SD-CZ 4.31Å |
| 300 | C | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 176.4 | -61 | 0 | 0 | 0 | 0 | 111.7 | L296 L297 S298 C303 A304 F346 V350 | L296-C300 PolarHBondContact O-N 3.41Å; L296-C300 PolarHBondContact O-SG 3.26Å; L297-C300 PolarHBondContact O-N 3.38Å; S298-C300 PolarHBondContact O-N 3.39Å; C300-C303 PolarHBondContact O-N 3.35Å; C300-A304 VanDerWaalsContact O-CB 3.25Å; C300-A304 WeakPolarHBondContact O-CB 3.3Å; C300-A304 PolarHBondContact O-N 2.89Å; C300-F346 HydrophobicContact CB-CD2 3.75Å; C300-F346 HydrophobicContact CB-CE2 3.63Å; C300-F346 HydrophobicContact CB-CZ 4.46Å; C300-V350 HydrophobicContact CB-CG2 4Å |
| 301 | T | 92.7 | Very high | 91.2 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 174.8 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | L297 S298 M299 A304 L305 F346 | L297-T301 WeakPolarHBondContact O-CG2 3.48Å; L297-T301 PolarHBondContact O-N 3.47Å; L297-T301 PolarHBondContact O-OG1 3.05Å; S298-T301 WeakPolarHBondContact CA-OG1 3.38Å; S298-T301 PolarHBondContact O-N 3.28Å; S298-T301 PolarHBondContact O-OG1 2.75Å; M299-T301 VanDerWaalsContact C-N 3.32Å; M299-T301 PolarHBondContact O-N 3.22Å; T301-A304 PolarHBondContact O-N 3.44Å; T301-L305 WeakPolarHBondContact O-CB 3.39Å; T301-L305 VanDerWaalsContact O-CG 3.25Å; T301-L305 WeakPolarHBondContact O-CG 3.32Å; T301-L305 PolarHBondContact O-N 3.44Å; T301-F346 HydrophobicContact CG2-CD2 4.08Å; T301-F346 HydrophobicContact CG2-CE2 3.59Å |
| 302 | I | 93.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 40% | 0.4 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.4 | -49 | 177.6 | -67.7 | 165.2 | 0 | 0 | 0 | 110.1 | S298 M299 A304 L305 L306 | S298-I302 WeakPolarHBondContact O-CG1 3.31Å; S298-I302 PolarHBondContact O-N 3.43Å; M299-I302 PolarHBondContact O-N 3.01Å; M299-I302 VanDerWaalsContact O-N 3.17Å; I302-A304 VanDerWaalsContact C-N 3.32Å; I302-A304 PolarHBondContact O-N 2.7Å; I302-L305 PolarHBondContact O-N 3.3Å; I302-L306 HydrophobicContact CG2-CD1 3.76Å; I302-L306 HydrophobicContact CG2-CG 4.32Å; I302-L306 WeakPolarHBondContact O-CB 3.26Å; I302-L306 VanDerWaalsContact O-CG 3.28Å; I302-L306 WeakPolarHBondContact O-CG 3.31Å; I302-L306 PolarHBondContact O-N 3.38Å |
| 303 | C | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 178.3 | -64 | 0 | 0 | 0 | 0 | 112.5 | M299 C300 L306 C307 Y349 | M299-C303 PolarHBondContact O-N 3.18Å; M299-C303 PolarHBondContact O-SG 3.47Å; M299-C303 VanDerWaalsContact O-SG 3.4Å; C300-C303 PolarHBondContact O-N 3.35Å; C303-L306 PolarHBondContact O-N 3.06Å; C303-C307 VanDerWaalsContact O-CB 3.24Å; C303-C307 WeakPolarHBondContact O-CB 3.24Å; C303-C307 PolarHBondContact O-N 3.27Å; C303-Y349 HydrophobicContact CB-CD1 4.17Å; C303-Y349 HydrophobicContact CB-CD2 3.54Å; C303-Y349 HydrophobicContact CB-CE1 4.06Å; C303-Y349 HydrophobicContact CB-CE2 3.43Å; C303-Y349 VanDerWaalsContact CB-CE2 3.43Å; C303-Y349 HydrophobicContact CB-CG 3.93Å |
| 304 | A | 92.1 | Very high | 90.8 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C300 T301 I302 C307 G308 A342 F346 | C300-A304 VanDerWaalsContact O-CB 3.25Å; C300-A304 WeakPolarHBondContact O-CB 3.3Å; C300-A304 PolarHBondContact O-N 2.89Å; T301-A304 PolarHBondContact O-N 3.44Å; I302-A304 VanDerWaalsContact C-N 3.32Å; I302-A304 PolarHBondContact O-N 2.7Å; A304-C307 PolarHBondContact O-N 2.89Å; A304-G308 PolarHBondContact O-N 3.44Å; A304-A342 WeakPolarHBondContact CB-O 3.49Å; A304-A342 WeakPolarHBondContact O-CB 3.35Å; A304-F346 HydrophobicContact CB-CB 3.89Å; A304-F346 HydrophobicContact CB-CD2 4.45Å |
| 305 | L | 93.2 | Very high | 90.3 | Very high | 123 Ų | 123 | 47.4 Ų | 47.4 | 64% | 0.644 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 175.3 | -71.3 | 172.8 | 0 | 0 | 0 | 111.3 | T301 I302 C307 G308 T309 | T301-L305 WeakPolarHBondContact O-CB 3.39Å; T301-L305 VanDerWaalsContact O-CG 3.25Å; T301-L305 WeakPolarHBondContact O-CG 3.32Å; T301-L305 PolarHBondContact O-N 3.44Å; I302-L305 PolarHBondContact O-N 3.3Å; L305-C307 PolarHBondContact O-N 3.33Å; L305-G308 PolarHBondContact O-N 3.47Å; L305-T309 WeakPolarHBondContact O-CG2 3.29Å; L305-T309 PolarHBondContact O-N 3.16Å; L305-T309 PolarHBondContact O-OG1 2.9Å |
| 306 | L | 93 | Very high | 89.7 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 177.9 | -70.3 | 173.7 | 0 | 0 | 0 | 111.7 | I302 C303 T309 W310 F950 Y954 | I302-L306 HydrophobicContact CG2-CD1 3.76Å; I302-L306 HydrophobicContact CG2-CG 4.32Å; I302-L306 WeakPolarHBondContact O-CB 3.26Å; I302-L306 VanDerWaalsContact O-CG 3.28Å; I302-L306 WeakPolarHBondContact O-CG 3.31Å; I302-L306 PolarHBondContact O-N 3.38Å; C303-L306 PolarHBondContact O-N 3.06Å; L306-T309 WeakPolarHBondContact CA-OG1 3.32Å; L306-T309 PolarHBondContact O-N 3.2Å; L306-T309 PolarHBondContact O-OG1 3.35Å; L306-W310 WeakPolarHBondContact O-CB 3.46Å; L306-W310 PolarHBondContact O-N 3.34Å; L306-F950 HydrophobicContact CD1-CE1 4.3Å; L306-Y954 HydrophobicContact CB-CD1 3.82Å; L306-Y954 HydrophobicContact CB-CD2 3.92Å; L306-Y954 HydrophobicContact CB-CE1 3.67Å; L306-Y954 HydrophobicContact CB-CE2 3.78Å; L306-Y954 HydrophobicContact CB-CG 3.94Å; L306-Y954 HydrophobicContact CD1-CD1 4.27Å; L306-Y954 HydrophobicContact CD1-CE1 3.52Å; L306-Y954 HydrophobicContact CG-CE1 4.2Å |
| 307 | C | 90.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 171.7 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | C303 A304 L305 T309 W310 E311 | C303-C307 VanDerWaalsContact O-CB 3.24Å; C303-C307 WeakPolarHBondContact O-CB 3.24Å; C303-C307 PolarHBondContact O-N 3.27Å; A304-C307 PolarHBondContact O-N 2.89Å; L305-C307 PolarHBondContact O-N 3.33Å; C307-T309 VanDerWaalsContact C-N 3.32Å; C307-T309 PolarHBondContact O-N 3.15Å; C307-W310 PolarHBondContact O-N 3.06Å; C307-W310 VanDerWaalsContact O-N 3.11Å; C307-E311 WeakPolarHBondContact O-CB 3.42Å; C307-E311 WeakPolarHBondContact O-CG 3.46Å; C307-E311 PolarHBondContact O-N 3.35Å |
| 308 | G | 89.8 | Confident | 88.7 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A304 L305 W312 V338 | A304-G308 PolarHBondContact O-N 3.44Å; L305-G308 PolarHBondContact O-N 3.47Å; G308-W312 WeakPolarHBondContact O-CB 3.35Å; G308-W312 PolarHBondContact O-N 3.45Å; G308-V338 WeakPolarHBondContact O-CG1 3.11Å |
| 309 | T | 90.6 | Very high | 88.1 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 175.5 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | L305 L306 C307 T313 | L305-T309 WeakPolarHBondContact O-CG2 3.29Å; L305-T309 PolarHBondContact O-N 3.16Å; L305-T309 PolarHBondContact O-OG1 2.9Å; L306-T309 WeakPolarHBondContact CA-OG1 3.32Å; L306-T309 PolarHBondContact O-N 3.2Å; L306-T309 PolarHBondContact O-OG1 3.35Å; C307-T309 VanDerWaalsContact C-N 3.32Å; C307-T309 PolarHBondContact O-N 3.15Å; T309-T313 WeakPolarHBondContact O-CB 3.36Å; T309-T313 VanDerWaalsContact O-CG2 3.28Å; T309-T313 WeakPolarHBondContact O-CG2 3.48Å; T309-T313 PolarHBondContact O-N 3.03Å; T309-T313 PolarHBondContact O-OG1 3.42Å |
| 310 | W | 90.5 | Very high | 87.3 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.8 | -43.1 | 179 | -176.6 | 87.4 | 0 | 0 | 0 | 111.5 | L306 C307 W312 T313 T314 G315 L322 Y954 | L306-W310 WeakPolarHBondContact O-CB 3.46Å; L306-W310 PolarHBondContact O-N 3.34Å; C307-W310 PolarHBondContact O-N 3.06Å; C307-W310 VanDerWaalsContact O-N 3.11Å; W310-W312 VanDerWaalsContact C-N 3.32Å; W310-W312 PolarHBondContact O-N 2.8Å; W310-T313 PolarHBondContact O-N 2.61Å; W310-T313 PolarHBondContact O-OG1 3.34Å; W310-T314 HydrophobicContact CZ2-CG2 4.19Å; W310-T314 CarbonylContact O-C 3.54Å; W310-T314 WeakPolarHBondContact O-CA 3.16Å; W310-T314 WeakPolarHBondContact O-CB 3.41Å; W310-T314 PolarHBondContact O-N 3.35Å; W310-G315 PolarHBondContact O-N 2.97Å; W310-L322 HydrophobicContact CH2-CD1 4.14Å; W310-Y954 HydrophobicContact CB-CD2 4.15Å; W310-Y954 HydrophobicContact CB-CE2 4.46Å |
| 311 | E | 87.2 | Confident | 86.6 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.2 | -77.1 | -64.6 | 164.5 | 0 | 0 | 111.8 | C307 G315 K316 W324 V338 I341 | C307-E311 WeakPolarHBondContact O-CB 3.42Å; C307-E311 WeakPolarHBondContact O-CG 3.46Å; C307-E311 PolarHBondContact O-N 3.35Å; E311-G315 PolarHBondContact O-N 2.84Å; E311-K316 PolarHBondContact O-N 3.21Å; E311-W324 PolarHBondContact OE2-NE1 2.74Å; E311-V338 HydrophobicContact CB-CG1 3.97Å; E311-I341 HydrophobicContact CG-CG2 4.27Å |
| 312 | W | 87.2 | Confident | 85.9 | Confident | 138 Ų | 138 | 69 Ų | 69 | 52% | 0.523 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 176.8 | 178.4 | -106.3 | 0 | 0 | 0 | 113 | G308 W310 V338 | G308-W312 WeakPolarHBondContact O-CB 3.35Å; G308-W312 PolarHBondContact O-N 3.45Å; W310-W312 VanDerWaalsContact C-N 3.32Å; W310-W312 PolarHBondContact O-N 2.8Å; W312-V338 HydrophobicContact CB-CG1 4.27Å; W312-V338 HydrophobicContact CE3-CG2 4.32Å |
| 313 | T | 88 | Confident | 85.1 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -86.6 | -39.1 | -172.2 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | T309 W310 N317 | T309-T313 WeakPolarHBondContact O-CB 3.36Å; T309-T313 VanDerWaalsContact O-CG2 3.28Å; T309-T313 WeakPolarHBondContact O-CG2 3.48Å; T309-T313 PolarHBondContact O-N 3.03Å; T309-T313 PolarHBondContact O-OG1 3.42Å; W310-T313 PolarHBondContact O-N 2.61Å; W310-T313 PolarHBondContact O-OG1 3.34Å; T313-N317 PolarHBondContact O-ND2 2.88Å |
| 314 | T | 85.8 | Confident | 84.4 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 29% | 0.288 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -53 | -167.7 | -51.6 | 0 | 0 | 0 | 0 | 111 | W310 K316 N317 F318 | W310-T314 HydrophobicContact CZ2-CG2 4.19Å; W310-T314 CarbonylContact O-C 3.54Å; W310-T314 WeakPolarHBondContact O-CA 3.16Å; W310-T314 WeakPolarHBondContact O-CB 3.41Å; W310-T314 PolarHBondContact O-N 3.35Å; T314-K316 VanDerWaalsContact C-N 3.28Å; T314-K316 PolarHBondContact O-N 2.94Å; T314-K316 VanDerWaalsContact O-N 3.16Å; T314-N317 WeakPolarHBondContact O-CB 3.28Å; T314-N317 PolarHBondContact O-N 2.89Å; T314-F318 HydrophobicContact CG2-CD2 3.72Å; T314-F318 HydrophobicContact CG2-CE2 3.64Å; T314-F318 WeakPolarHBondContact O-CD2 3.17Å |
| 315 | G | 81.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -55.7 | -37.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W310 E311 N317 F318 Q319 | W310-G315 PolarHBondContact O-N 2.97Å; E311-G315 PolarHBondContact O-N 2.84Å; G315-N317 PolarHBondContact O-N 3.1Å; G315-F318 PolarHBondContact O-N 2.99Å; G315-F318 VanDerWaalsContact O-N 3.09Å; G315-Q319 PolarHBondContact O-NE2 3.23Å |
| 316 | K | 77.7 | Confident | 82.3 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 41% | 0.413 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -56.1 | -31.4 | 173.6 | -177.1 | 174.1 | 174.7 | 168.5 | 0 | 113.8 | E311 T314 A333 | E311-K316 PolarHBondContact O-N 3.21Å; T314-K316 VanDerWaalsContact C-N 3.28Å; T314-K316 PolarHBondContact O-N 2.94Å; T314-K316 VanDerWaalsContact O-N 3.16Å; K316-A333 HydrophobicContact CD-CB 3.77Å; K316-A333 HydrophobicContact CG-CB 4.03Å |
| 317 | N | 80.9 | Confident | 81.2 | Confident | 127 Ų | 127 | 73.8 Ų | 73.8 | 68% | 0.679 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -85 | -19.6 | -179.2 | -60.8 | -32.9 | 0 | 0 | 0 | 112.9 | T313 T314 G315 | T313-N317 PolarHBondContact O-ND2 2.88Å; T314-N317 WeakPolarHBondContact O-CB 3.28Å; T314-N317 PolarHBondContact O-N 2.89Å; G315-N317 PolarHBondContact O-N 3.1Å |
| 318 | F | 81.5 | Confident | 80.3 | Confident | 98 Ų | 98 | 74 Ų | 74 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | trans | -103.8 | 14.7 | -174.9 | -75.1 | -88.3 | 0 | 0 | 0 | 113.9 | T314 G315 A320 F321 L322 | T314-F318 HydrophobicContact CG2-CD2 3.72Å; T314-F318 HydrophobicContact CG2-CE2 3.64Å; T314-F318 WeakPolarHBondContact O-CD2 3.17Å; G315-F318 PolarHBondContact O-N 2.99Å; G315-F318 VanDerWaalsContact O-N 3.09Å; F318-A320 PolarHBondContact O-N 3.29Å; F318-F321 HydrophobicContact CD1-CD2 4.11Å; F318-F321 PolarHBondContact O-N 2.95Å; F318-L322 PolarHBondContact O-N 3.03Å | ||
| 319 | Q | 78.5 | Confident | 79.1 | Confident | 48 Ų | 48 | 77.9 Ų | 77.9 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.5 | -178 | -67.5 | -60.5 | -56.4 | 0 | 0 | 114.7 | G315 F321 L322 P323 W324 | G315-Q319 PolarHBondContact O-NE2 3.23Å; Q319-F321 VanDerWaalsContact C-N 3.32Å; Q319-L322 PolarHBondContact NE2-O 3.35Å; Q319-P323 WeakPolarHBondContact O-CA 3.39Å; Q319-W324 VanDerWaalsContact NE2-CD1 3.26Å; Q319-W324 VanDerWaalsContact NE2-CE2 3.35Å; Q319-W324 VanDerWaalsContact OE1-CG 3.24Å |
| 320 | A | 75.9 | Confident | 77.9 | Confident | 93 Ų | 93 | 79.2 Ų | 79.2 | 77% | 0.769 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -29.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F318 | F318-A320 PolarHBondContact O-N 3.29Š|
| 321 | F | 77.2 | Confident | 76.4 | Confident | 169 Ų | 169 | 83.1 Ų | 83.1 | 74% | 0.741 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -29.6 | -179.7 | -57.9 | -78.4 | 0 | 0 | 0 | 112.4 | F318 Q319 | F318-F321 HydrophobicContact CD1-CD2 4.11Å; F318-F321 PolarHBondContact O-N 2.95Å; Q319-F321 VanDerWaalsContact C-N 3.32Å |
| 322 | L | 78 | Confident | 75.2 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 54% | 0.539 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -130.1 | 72.2 | -177.3 | -68.7 | 163.2 | 0 | 0 | 0 | 109.2 | W310 F318 Q319 | W310-L322 HydrophobicContact CH2-CD1 4.14Å; F318-L322 PolarHBondContact O-N 3.03Å; Q319-L322 PolarHBondContact NE2-O 3.35Å |
| 323 | P | 75.7 | Confident | 74.2 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 137 | 179.8 | 26.9 | -33.5 | 0 | 0 | 0 | 110.3 | Q319 | Q319-P323 WeakPolarHBondContact O-CA 3.39Š|
| 324 | W | 77.6 | Confident | 73.5 | Confident | 24 Ų | 24 | 85 Ų | 85 | 9% | 0.091 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 158.6 | 168.3 | -67.9 | -23.4 | 0 | 0 | 0 | 111.5 | E311 Q319 V328 H330 A333 V338 I341 | E311-W324 PolarHBondContact OE2-NE1 2.74Å; Q319-W324 VanDerWaalsContact NE2-CD1 3.26Å; Q319-W324 VanDerWaalsContact NE2-CE2 3.35Å; Q319-W324 VanDerWaalsContact OE1-CG 3.24Å; W324-V328 HydrophobicContact CB-CB 4.18Å; W324-V328 HydrophobicContact CB-CG1 4.43Å; W324-V328 HydrophobicContact CD2-CG1 4.2Å; W324-V328 HydrophobicContact CE3-CB 4.49Å; W324-V328 HydrophobicContact CE3-CG1 3.58Å; W324-V328 HydrophobicContact CZ3-CG1 4.18Å; W324-H330 PolarHBondContact O-CE1 3.36Å; W324-H330 VanDerWaalsContact O-CE1 3.29Å; W324-A333 HydrophobicContact CH2-CB 3.75Å; W324-A333 HydrophobicContact CZ3-CB 4.07Å; W324-V338 HydrophobicContact CH2-CG2 4.44Å; W324-V338 HydrophobicContact CZ2-CG2 4.43Å; W324-I341 HydrophobicContact CD2-CD1 3.81Å; W324-I341 HydrophobicContact CE3-CD1 4.46Å; W324-I341 HydrophobicContact CG-CD1 3.96Å; W324-I341 HydrophobicContact CZ2-CD1 4.13Å |
| 325 | A | 71.7 | Confident | 73.3 | Confident | 39 Ų | 39 | 87.2 Ų | 87.2 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 154.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y327 V328 | A325-Y327 HydrophobicContact CB-CD1 3.72Å; A325-Y327 HydrophobicContact CB-CE1 3.16Å; A325-Y327 HydrophobicContact CB-CE2 4.17Å; A325-Y327 HydrophobicContact CB-CG 4.42Å; A325-Y327 VanDerWaalsContact CB-CZ 3.45Å; A325-Y327 PolarHBondContact O-N 3.34Å; A325-V328 PolarHBondContact O-N 3.12Å |
| 326 | S | 68.5 | Low | 73.3 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 78% | 0.783 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18 | -171.1 | 56 | 0 | 0 | 0 | 0 | 115.4 | V328 | S326-V328 VanDerWaalsContact C-N 3.3Š|
| 327 | Y | 71.6 | Confident | 73.5 | Confident | 94 Ų | 94 | 85.8 Ų | 85.8 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.3 | 175.9 | 56.8 | -101.8 | 0 | 0 | 0 | 113.5 | E83 A325 F340 L344 | E83-Y327 HydrophobicContact CB-CE1 4.38Å; E83-Y327 HydrophobicContact CG-CD1 4.48Å; E83-Y327 HydrophobicContact CG-CE1 4.31Å; E83-Y327 WeakPolarHBondContact OE2-CD1 3.39Å; E83-Y327 WeakPolarHBondContact OE2-CE1 3.35Å; A325-Y327 HydrophobicContact CB-CD1 3.72Å; A325-Y327 HydrophobicContact CB-CE1 3.16Å; A325-Y327 HydrophobicContact CB-CE2 4.17Å; A325-Y327 HydrophobicContact CB-CG 4.42Å; A325-Y327 VanDerWaalsContact CB-CZ 3.45Å; A325-Y327 PolarHBondContact O-N 3.34Å; Y327-F340 AromaticContact CD2-CE1 3.88Å; Y327-F340 HydrophobicContact CD2-CE1 3.88Å; Y327-F340 AromaticContact CE2-CE1 3.94Å; Y327-F340 HydrophobicContact CE2-CE1 3.94Å; Y327-L344 HydrophobicContact CD2-CD1 4.48Å; Y327-L344 HydrophobicContact CE2-CD1 3.53Å |
| 328 | V | 70.2 | Confident | 73.6 | Confident | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.036 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -100.6 | 124.7 | 174.6 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | W324 A325 S326 H330 T337 I341 | W324-V328 HydrophobicContact CB-CB 4.18Å; W324-V328 HydrophobicContact CB-CG1 4.43Å; W324-V328 HydrophobicContact CD2-CG1 4.2Å; W324-V328 HydrophobicContact CE3-CB 4.49Å; W324-V328 HydrophobicContact CE3-CG1 3.58Å; W324-V328 HydrophobicContact CZ3-CG1 4.18Å; A325-V328 PolarHBondContact O-N 3.12Å; S326-V328 VanDerWaalsContact C-N 3.3Å; V328-H330 PolarHBondContact O-N 2.98Å; V328-T337 HydrophobicContact CG1-CG2 3.9Å; V328-I341 HydrophobicContact CG1-CD1 4.42Å; V328-I341 HydrophobicContact CG2-CG1 4.24Å |
| 329 | D | 65.5 | Low | 73.9 | Confident | 96 Ų | 96 | 80 Ų | 80 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | trans | -63.2 | 104.5 | -179.4 | -173.5 | -1.2 | 0 | 0 | 0 | 111.3 | N331 R332 | D329-N331 PolarHBondContact O-N 3.46Å; D329-N331 VanDerWaalsContact O-N 3.16Å; D329-N331 PolarHBondContact OD1-N 3.36Å; D329-N331 VanDerWaalsContact OD1-N 3.12Å; D329-R332 PolarHBondContact O-N 3.47Å | ||
| 330 | H | 64.7 | Low | 74.3 | Confident | 106 Ų | 106 | 82.3 Ų | 82.3 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24 | -178.7 | -60 | -60.8 | 0 | 0 | 0 | 113.3 | W324 V328 R332 | W324-H330 PolarHBondContact O-CE1 3.36Å; W324-H330 VanDerWaalsContact O-CE1 3.29Å; V328-H330 PolarHBondContact O-N 2.98Å; H330-R332 VanDerWaalsContact C-N 3.33Å; H330-R332 PolarHBondContact O-N 3.23Å |
| 331 | N | 59.8 | Low | 74.8 | Confident | 146 Ų | 146 | 78.8 Ų | 78.8 | 78% | 0.781 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -9.9 | -170 | -69.5 | -34.9 | 0 | 0 | 0 | 113.5 | D329 | D329-N331 PolarHBondContact O-N 3.46Å; D329-N331 VanDerWaalsContact O-N 3.16Å; D329-N331 PolarHBondContact OD1-N 3.36Å; D329-N331 VanDerWaalsContact OD1-N 3.12Å |
| 332 | R | 62.6 | Low | 75.3 | Confident | 183 Ų | 183 | 71.5 Ų | 71.5 | 69% | 0.691 | 40% | 0.4 | S | S | * | . | trans | -146.6 | 92.7 | 179.5 | -70.8 | -171.7 | 178.4 | 172.8 | 0.8 | 112.3 | D329 H330 T334 | D329-R332 PolarHBondContact O-N 3.47Å; H330-R332 VanDerWaalsContact C-N 3.33Å; H330-R332 PolarHBondContact O-N 3.23Å; R332-T334 HydrophobicContact CB-CG2 3.99Å; R332-T334 PolarHBondContact O-N 3.06Å; R332-T334 PolarHBondContact O-OG1 2.81Å | ||
| 333 | A | 65.7 | Low | 75.9 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | trans | -66.2 | 79.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K316 W324 | K316-A333 HydrophobicContact CD-CB 3.77Å; K316-A333 HydrophobicContact CG-CB 4.03Å; W324-A333 HydrophobicContact CH2-CB 3.75Å; W324-A333 HydrophobicContact CZ3-CB 4.07Å | ||
| 334 | T | 73.7 | Confident | 76.5 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | trans | -95.3 | 159.8 | 179.7 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | R332 G336 T337 V338 | R332-T334 HydrophobicContact CB-CG2 3.99Å; R332-T334 PolarHBondContact O-N 3.06Å; R332-T334 PolarHBondContact O-OG1 2.81Å; T334-G336 PolarHBondContact O-N 3.28Å; T334-G336 VanDerWaalsContact O-N 3.13Å; T334-T337 PolarHBondContact N-OG1 2.86Å; T334-T337 PolarHBondContact O-N 3.3Å; T334-T337 VanDerWaalsContact O-N 3.12Å; T334-T337 PolarHBondContact O-OG1 3.38Å; T334-V338 PolarHBondContact O-N 3.45Å | ||
| 335 | T | 80 | Confident | 77.1 | Confident | 94 Ų | 94 | 68.9 Ų | 68.9 | 58% | 0.577 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -53.3 | -33.7 | 171.2 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | V339 | T335-V339 HydrophobicContact CG2-CG2 4.43Å; T335-V339 WeakPolarHBondContact O-CB 3.45Å; T335-V339 VanDerWaalsContact O-CG2 3.22Å; T335-V339 WeakPolarHBondContact O-CG2 3.3Å; T335-V339 PolarHBondContact O-N 3.27Å; T335-V339 VanDerWaalsContact O-N 3.07Å |
| 336 | G | 81.9 | Confident | 78.1 | Confident | 50 Ų | 50 | 69 Ų | 69 | 52% | 0.515 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T334 V339 F340 | T334-G336 PolarHBondContact O-N 3.28Å; T334-G336 VanDerWaalsContact O-N 3.13Å; G336-V339 PolarHBondContact O-N 3Å; G336-F340 WeakPolarHBondContact O-CB 3.37Å; G336-F340 PolarHBondContact O-N 3.28Å |
| 337 | T | 81.4 | Confident | 79.2 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 179.4 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | V328 T334 F340 I341 | V328-T337 HydrophobicContact CG1-CG2 3.9Å; T334-T337 PolarHBondContact N-OG1 2.86Å; T334-T337 PolarHBondContact O-N 3.3Å; T334-T337 VanDerWaalsContact O-N 3.12Å; T334-T337 PolarHBondContact O-OG1 3.38Å; T337-F340 PolarHBondContact O-N 3.24Å; T337-I341 WeakPolarHBondContact O-CG1 3.4Å; T337-I341 PolarHBondContact O-N 3.35Å |
| 338 | V | 84.7 | Confident | 80.1 | Confident | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | G308 E311 W312 W324 T334 F340 I341 A342 | G308-V338 WeakPolarHBondContact O-CG1 3.11Å; E311-V338 HydrophobicContact CB-CG1 3.97Å; W312-V338 HydrophobicContact CB-CG1 4.27Å; W312-V338 HydrophobicContact CE3-CG2 4.32Å; W324-V338 HydrophobicContact CH2-CG2 4.44Å; W324-V338 HydrophobicContact CZ2-CG2 4.43Å; T334-V338 PolarHBondContact O-N 3.45Å; V338-F340 VanDerWaalsContact C-N 3.32Å; V338-F340 PolarHBondContact O-N 3.19Å; V338-I341 PolarHBondContact O-N 2.78Å; V338-A342 WeakPolarHBondContact O-CB 3.44Å; V338-A342 PolarHBondContact O-N 2.9Å |
| 339 | V | 87 | Confident | 81.1 | Confident | 92 Ų | 92 | 61.9 Ų | 61.9 | 56% | 0.558 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 175.5 | 171 | 0 | 0 | 0 | 0 | 111.1 | T335 G336 A342 F343 | T335-V339 HydrophobicContact CG2-CG2 4.43Å; T335-V339 WeakPolarHBondContact O-CB 3.45Å; T335-V339 VanDerWaalsContact O-CG2 3.22Å; T335-V339 WeakPolarHBondContact O-CG2 3.3Å; T335-V339 PolarHBondContact O-N 3.27Å; T335-V339 VanDerWaalsContact O-N 3.07Å; G336-V339 PolarHBondContact O-N 3Å; V339-A342 PolarHBondContact O-N 2.93Å; V339-F343 WeakPolarHBondContact O-CB 3.4Å; V339-F343 PolarHBondContact O-N 3.36Å |
| 340 | F | 87.2 | Confident | 82.3 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.5 | -177.9 | -106.7 | 0 | 0 | 0 | 112.3 | Y327 G336 T337 V338 F343 L344 | Y327-F340 AromaticContact CD2-CE1 3.88Å; Y327-F340 HydrophobicContact CD2-CE1 3.88Å; Y327-F340 AromaticContact CE2-CE1 3.94Å; Y327-F340 HydrophobicContact CE2-CE1 3.94Å; G336-F340 WeakPolarHBondContact O-CB 3.37Å; G336-F340 PolarHBondContact O-N 3.28Å; T337-F340 PolarHBondContact O-N 3.24Å; V338-F340 VanDerWaalsContact C-N 3.32Å; V338-F340 PolarHBondContact O-N 3.19Å; F340-F343 WeakPolarHBondContact O-CB 3.38Å; F340-F343 PolarHBondContact O-N 3.19Å; F340-L344 HydrophobicContact CD1-CD1 4.13Å; F340-L344 HydrophobicContact CE1-CD1 3.52Å; F340-L344 HydrophobicContact CE1-CG 4.19Å; F340-L344 HydrophobicContact CE2-CG 4.48Å; F340-L344 HydrophobicContact CZ-CD1 3.79Å; F340-L344 HydrophobicContact CZ-CD2 4.26Å; F340-L344 HydrophobicContact CZ-CG 4.14Å; F340-L344 PolarHBondContact O-N 3.3Å |
| 341 | I | 85.9 | Confident | 83.4 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -51.4 | 174.2 | -67.1 | 164.6 | 0 | 0 | 0 | 110 | E311 W324 V328 T337 V338 F343 L344 M345 | E311-I341 HydrophobicContact CG-CG2 4.27Å; W324-I341 HydrophobicContact CD2-CD1 3.81Å; W324-I341 HydrophobicContact CE3-CD1 4.46Å; W324-I341 HydrophobicContact CG-CD1 3.96Å; W324-I341 HydrophobicContact CZ2-CD1 4.13Å; V328-I341 HydrophobicContact CG1-CD1 4.42Å; V328-I341 HydrophobicContact CG2-CG1 4.24Å; T337-I341 WeakPolarHBondContact O-CG1 3.4Å; T337-I341 PolarHBondContact O-N 3.35Å; V338-I341 PolarHBondContact O-N 2.78Å; I341-F343 PolarHBondContact O-N 3.5Å; I341-L344 PolarHBondContact O-N 3.46Å; I341-L344 VanDerWaalsContact O-N 3.11Å; I341-M345 HydrophobicContact CG2-CG 4.19Å; I341-M345 WeakPolarHBondContact O-CB 3.45Å; I341-M345 VanDerWaalsContact O-CG 3.27Å; I341-M345 WeakPolarHBondContact O-CG 3.44Å; I341-M345 PolarHBondContact O-N 3.08Å |
| 342 | A | 88 | Confident | 84.8 | Confident | 16 Ų | 16 | 46 Ų | 46 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.5 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A304 V338 V339 M345 F346 | A304-A342 WeakPolarHBondContact CB-O 3.49Å; A304-A342 WeakPolarHBondContact O-CB 3.35Å; V338-A342 WeakPolarHBondContact O-CB 3.44Å; V338-A342 PolarHBondContact O-N 2.9Å; V339-A342 PolarHBondContact O-N 2.93Å; A342-M345 PolarHBondContact O-N 3.13Å; A342-F346 PolarHBondContact O-N 3.15Å; A342-F346 VanDerWaalsContact O-N 3.11Å |
| 343 | F | 90.2 | Very high | 86.1 | Confident | 117 Ų | 117 | 37.5 Ų | 37.5 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 176.1 | 175.7 | -100.8 | 0 | 0 | 0 | 113.2 | V339 F340 I341 M345 F346 F347 | V339-F343 WeakPolarHBondContact O-CB 3.4Å; V339-F343 PolarHBondContact O-N 3.36Å; F340-F343 WeakPolarHBondContact O-CB 3.38Å; F340-F343 PolarHBondContact O-N 3.19Å; I341-F343 PolarHBondContact O-N 3.5Å; F343-M345 VanDerWaalsContact C-N 3.34Å; F343-F346 WeakPolarHBondContact O-CB 3.38Å; F343-F346 PolarHBondContact O-N 2.83Å; F343-F347 AromaticContact CE1-CE2 3.87Å; F343-F347 HydrophobicContact CE1-CE2 3.87Å; F343-F347 AromaticContact CE2-CE2 3.89Å; F343-F347 HydrophobicContact CE2-CE2 3.89Å; F343-F347 AromaticContact CZ-CE2 3.54Å; F343-F347 HydrophobicContact CZ-CE2 3.54Å; F343-F347 HydrophobicContact CZ-CZ 4.26Å |
| 344 | L | 89.3 | Confident | 87.1 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 12% | 0.115 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 174.1 | -67.2 | -179.2 | 0 | 0 | 0 | 111.1 | I84 Y327 F340 I341 F346 F347 S348 | I84-L344 HydrophobicContact CG2-CB 4.37Å; I84-L344 HydrophobicContact CG2-CD2 3.87Å; Y327-L344 HydrophobicContact CD2-CD1 4.48Å; Y327-L344 HydrophobicContact CE2-CD1 3.53Å; F340-L344 HydrophobicContact CD1-CD1 4.13Å; F340-L344 HydrophobicContact CE1-CD1 3.52Å; F340-L344 HydrophobicContact CE1-CG 4.19Å; F340-L344 HydrophobicContact CE2-CG 4.48Å; F340-L344 HydrophobicContact CZ-CD1 3.79Å; F340-L344 HydrophobicContact CZ-CD2 4.26Å; F340-L344 HydrophobicContact CZ-CG 4.14Å; F340-L344 PolarHBondContact O-N 3.3Å; I341-L344 PolarHBondContact O-N 3.46Å; I341-L344 VanDerWaalsContact O-N 3.11Å; L344-F346 PolarHBondContact O-N 2.68Å; L344-F347 PolarHBondContact O-N 3.02Å; L344-S348 PolarHBondContact O-N 3.11Å; L344-S348 VanDerWaalsContact O-N 3.13Å; L344-S348 PolarHBondContact O-OG 2.68Å |
| 345 | M | 89.6 | Confident | 87.4 | Confident | 27 Ų | 27 | 34 Ų | 34 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -31.8 | 178.9 | -70.1 | -48.3 | -57.6 | 0 | 0 | 113.1 | I341 A342 F343 F347 S348 Y349 Y954 S955 A956 | I341-M345 HydrophobicContact CG2-CG 4.19Å; I341-M345 WeakPolarHBondContact O-CB 3.45Å; I341-M345 VanDerWaalsContact O-CG 3.27Å; I341-M345 WeakPolarHBondContact O-CG 3.44Å; I341-M345 PolarHBondContact O-N 3.08Å; A342-M345 PolarHBondContact O-N 3.13Å; F343-M345 VanDerWaalsContact C-N 3.34Å; M345-F347 VanDerWaalsContact C-N 3.33Å; M345-F347 PolarHBondContact O-N 2.95Å; M345-S348 PolarHBondContact O-N 3.46Å; M345-Y349 HydrophobicContact CE-CE2 4.17Å; M345-Y349 VanDerWaalsContact O-CD2 3.24Å; M345-Y349 WeakPolarHBondContact O-CD2 3.3Å; M345-Y349 PolarHBondContact O-N 3.02Å; M345-Y954 WeakPolarHBondContact CE-O 3.38Å; M345-S955 VanDerWaalsContact CE-O 3.27Å; M345-S955 WeakPolarHBondContact CE-O 3.49Å; M345-A956 HydrophobicContact CE-CB 3.47Å; M345-A956 VanDerWaalsContact CE-CB 3.47Å |
| 346 | F | 92.3 | Very high | 87.6 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 18% | 0.18 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.7 | -49 | 171.1 | 174.3 | -97.1 | 0 | 0 | 0 | 111.8 | L297 C300 T301 A304 A342 F343 L344 Y349 V350 | L297-F346 HydrophobicContact CD2-CZ 3.85Å; C300-F346 HydrophobicContact CB-CD2 3.75Å; C300-F346 HydrophobicContact CB-CE2 3.63Å; C300-F346 HydrophobicContact CB-CZ 4.46Å; T301-F346 HydrophobicContact CG2-CD2 4.08Å; T301-F346 HydrophobicContact CG2-CE2 3.59Å; A304-F346 HydrophobicContact CB-CB 3.89Å; A304-F346 HydrophobicContact CB-CD2 4.45Å; A342-F346 PolarHBondContact O-N 3.15Å; A342-F346 VanDerWaalsContact O-N 3.11Å; F343-F346 WeakPolarHBondContact O-CB 3.38Å; F343-F346 PolarHBondContact O-N 2.83Å; L344-F346 PolarHBondContact O-N 2.68Å; F346-Y349 PolarHBondContact O-N 3.2Å; F346-V350 HydrophobicContact CD1-CG2 4.41Å; F346-V350 HydrophobicContact CE1-CG2 4.02Å; F346-V350 HydrophobicContact CZ-CG2 4.11Å; F346-V350 WeakPolarHBondContact O-CG2 3.41Å; F346-V350 PolarHBondContact O-N 3.09Å |
| 347 | F | 91.3 | Very high | 87.6 | Confident | 52 Ų | 52 | 27.6 Ų | 27.6 | 23% | 0.228 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.2 | -35.5 | 178.9 | -69 | -74.1 | 0 | 0 | 0 | 112.6 | L78 I84 F343 L344 M345 Y349 V350 I351 | L78-F347 HydrophobicContact CD1-CD1 4.1Å; L78-F347 HydrophobicContact CD2-CD1 3.91Å; L78-F347 HydrophobicContact CD2-CE1 4.14Å; I84-F347 HydrophobicContact CB-CB 4.17Å; I84-F347 HydrophobicContact CD1-CB 3.99Å; I84-F347 HydrophobicContact CG2-CB 4.22Å; F343-F347 AromaticContact CE1-CE2 3.87Å; F343-F347 HydrophobicContact CE1-CE2 3.87Å; F343-F347 AromaticContact CE2-CE2 3.89Å; F343-F347 HydrophobicContact CE2-CE2 3.89Å; F343-F347 AromaticContact CZ-CE2 3.54Å; F343-F347 HydrophobicContact CZ-CE2 3.54Å; F343-F347 HydrophobicContact CZ-CZ 4.26Å; L344-F347 PolarHBondContact O-N 3.02Å; M345-F347 VanDerWaalsContact C-N 3.33Å; M345-F347 PolarHBondContact O-N 2.95Å; F347-Y349 VanDerWaalsContact C-N 3.29Å; F347-Y349 PolarHBondContact O-N 2.95Å; F347-V350 WeakPolarHBondContact O-CB 3.14Å; F347-V350 PolarHBondContact O-N 3.29Å; F347-V350 VanDerWaalsContact O-N 3.16Å; F347-I351 WeakPolarHBondContact O-CG1 3.37Å; F347-I351 PolarHBondContact O-N 2.89Å |
| 348 | S | 90.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -39.5 | 174 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | I84 S86 L344 M345 I351 L352 | I84-S348 WeakPolarHBondContact O-CA 3.49Å; I84-S348 PolarHBondContact O-OG 3.28Å; S86-S348 PolarHBondContact OG-O 2.77Å; L344-S348 PolarHBondContact O-N 3.11Å; L344-S348 VanDerWaalsContact O-N 3.13Å; L344-S348 PolarHBondContact O-OG 2.68Å; M345-S348 PolarHBondContact O-N 3.46Å; S348-I351 PolarHBondContact O-N 3.06Å; S348-L352 WeakPolarHBondContact O-CB 3.49Å; S348-L352 PolarHBondContact O-N 3.17Å |
| 349 | Y | 91.4 | Very high | 87 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.2 | -36.3 | 173.2 | -83.8 | -68.7 | 0 | 0 | 0 | 113.5 | C303 M345 F346 F347 I351 L352 L353 S949 Y954 A956 | C303-Y349 HydrophobicContact CB-CD1 4.17Å; C303-Y349 HydrophobicContact CB-CD2 3.54Å; C303-Y349 HydrophobicContact CB-CE1 4.06Å; C303-Y349 HydrophobicContact CB-CE2 3.43Å; C303-Y349 VanDerWaalsContact CB-CE2 3.43Å; C303-Y349 HydrophobicContact CB-CG 3.93Å; M345-Y349 HydrophobicContact CE-CE2 4.17Å; M345-Y349 VanDerWaalsContact O-CD2 3.24Å; M345-Y349 WeakPolarHBondContact O-CD2 3.3Å; M345-Y349 PolarHBondContact O-N 3.02Å; F346-Y349 PolarHBondContact O-N 3.2Å; F347-Y349 VanDerWaalsContact C-N 3.29Å; F347-Y349 PolarHBondContact O-N 2.95Å; Y349-I351 PolarHBondContact O-N 3.38Å; Y349-L352 HydrophobicContact CD1-CD2 4.19Å; Y349-L352 HydrophobicContact CE1-CD2 4.23Å; Y349-L352 PolarHBondContact O-N 3.1Å; Y349-L353 HydrophobicContact CD1-CD1 4.37Å; Y349-L353 WeakPolarHBondContact O-CB 3.28Å; Y349-L353 PolarHBondContact O-N 2.9Å; Y349-S949 WeakPolarHBondContact OH-CB 2.81Å; Y349-Y954 VanDerWaalsContact CE2-O 3.23Å; Y349-Y954 WeakPolarHBondContact CE2-O 3.27Å; Y349-Y954 WeakPolarHBondContact OH-CA 3.49Å; Y349-Y954 PolarHBondContact OH-O 2.65Å; Y349-A956 HydrophobicContact CD1-CB 4.09Å; Y349-A956 HydrophobicContact CD2-CB 4.12Å; Y349-A956 HydrophobicContact CE1-CB 3.88Å; Y349-A956 HydrophobicContact CE2-CB 3.88Å; Y349-A956 HydrophobicContact CG-CB 4.19Å; Y349-A956 PolarHBondContact OH-N 3.09Å; Y349-A956 VanDerWaalsContact OH-N 3.17Å |
| 350 | V | 90.7 | Very high | 86.8 | Confident | 11 Ų | 11 | 24 Ų | 24 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -40.1 | 174 | 169 | 0 | 0 | 0 | 0 | 110.5 | L75 L297 C300 F346 F347 N354 | L75-V350 HydrophobicContact CD2-CG1 3.82Å; L297-V350 HydrophobicContact CD2-CG2 4.39Å; C300-V350 HydrophobicContact CB-CG2 4Å; F346-V350 HydrophobicContact CD1-CG2 4.41Å; F346-V350 HydrophobicContact CE1-CG2 4.02Å; F346-V350 HydrophobicContact CZ-CG2 4.11Å; F346-V350 WeakPolarHBondContact O-CG2 3.41Å; F346-V350 PolarHBondContact O-N 3.09Å; F347-V350 WeakPolarHBondContact O-CB 3.14Å; F347-V350 PolarHBondContact O-N 3.29Å; F347-V350 VanDerWaalsContact O-N 3.16Å; V350-N354 PolarHBondContact O-N 3.3Å |
| 351 | I | 88.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.2 | -47.3 | 176 | -69.9 | 168.1 | 0 | 0 | 0 | 111.1 | L78 Q79 I84 L87 F347 S348 Y349 N354 | L78-I351 HydrophobicContact CB-CD1 4.3Å; Q79-I351 HydrophobicContact CG-CD1 3.98Å; Q79-I351 HydrophobicContact CG-CG1 4.02Å; Q79-I351 HydrophobicContact CG-CG2 3.87Å; I84-I351 HydrophobicContact CD1-CD1 4.39Å; I84-I351 HydrophobicContact CG1-CD1 4.12Å; I84-I351 WeakPolarHBondContact O-CD1 3.34Å; L87-I351 HydrophobicContact CB-CG2 4.24Å; L87-I351 HydrophobicContact CD1-CG2 4.17Å; L87-I351 HydrophobicContact CG-CG2 4.41Å; F347-I351 WeakPolarHBondContact O-CG1 3.37Å; F347-I351 PolarHBondContact O-N 2.89Å; S348-I351 PolarHBondContact O-N 3.06Å; Y349-I351 PolarHBondContact O-N 3.38Å; I351-N354 VanDerWaalsContact O-CB 3.31Å; I351-N354 WeakPolarHBondContact O-CB 3.29Å; I351-N354 PolarHBondContact O-N 2.95Å |
| 352 | L | 88.6 | Confident | 86.6 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | -178.3 | -177.8 | 64.4 | 0 | 0 | 0 | 112.5 | S348 Y349 H945 A956 T958 | S348-L352 WeakPolarHBondContact O-CB 3.49Å; S348-L352 PolarHBondContact O-N 3.17Å; Y349-L352 HydrophobicContact CD1-CD2 4.19Å; Y349-L352 HydrophobicContact CE1-CD2 4.23Å; Y349-L352 PolarHBondContact O-N 3.1Å; L352-H945 HydrophobicContact CD2-CB 4.19Å; L352-H945 HydrophobicContact CG-CB 4.27Å; L352-A956 HydrophobicContact CD2-CB 4.27Å; L352-T958 HydrophobicContact CD1-CG2 3.48Å; L352-T958 VanDerWaalsContact CD1-CG2 3.48Å |
| 353 | L | 89.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -91.3 | 7.2 | -175.5 | -60.6 | 177.5 | 0 | 0 | 0 | 113.1 | L296 M299 Y349 T355 V356 H945 | L296-L353 HydrophobicContact CD1-CB 3.29Å; L296-L353 HydrophobicContact CD1-CD1 4.32Å; L296-L353 HydrophobicContact CD1-CG 4.45Å; L296-L353 WeakPolarHBondContact CD1-O 3.33Å; M299-L353 HydrophobicContact CB-CD1 4.44Å; Y349-L353 HydrophobicContact CD1-CD1 4.37Å; Y349-L353 WeakPolarHBondContact O-CB 3.28Å; Y349-L353 PolarHBondContact O-N 2.9Å; L353-T355 PolarHBondContact O-N 3.49Å; L353-T355 VanDerWaalsContact O-N 3.15Å; L353-V356 WeakPolarHBondContact O-CB 3.46Å; L353-V356 WeakPolarHBondContact O-CG2 3.27Å; L353-V356 PolarHBondContact O-N 2.93Å; L353-V356 VanDerWaalsContact O-N 3.15Å; L353-H945 HydrophobicContact CD2-CB 3.9Å |
| 354 | N | 85.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 16.5 Ų | 16.5 | 4% | 0.043 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -54.7 | -32.3 | 175.8 | 170.4 | 25 | 0 | 0 | 0 | 112.7 | Y71 F72 L75 V350 I351 V356 V357 | Y71-N354 WeakPolarHBondContact CE1-OD1 3.44Å; Y71-N354 PolarHBondContact OH-OD1 3.4Å; F72-N354 WeakPolarHBondContact CE1-OD1 3.44Å; L75-N354 HydrophobicContact CD1-CB 4.14Å; L75-N354 WeakPolarHBondContact CD1-ND2 3.29Å; L75-N354 WeakPolarHBondContact CD1-OD1 3.44Å; L75-N354 HydrophobicContact CD2-CB 4.25Å; V350-N354 PolarHBondContact O-N 3.3Å; I351-N354 VanDerWaalsContact O-CB 3.31Å; I351-N354 WeakPolarHBondContact O-CB 3.29Å; I351-N354 PolarHBondContact O-N 2.95Å; N354-V356 PolarHBondContact O-N 3.44Å; N354-V357 CarbonylContact O-C 3.6Å; N354-V357 PolarHBondContact O-N 3.3Å |
| 355 | T | 81.8 | Confident | 86.2 | Confident | 21 Ų | 21 | 15.5 Ų | 15.5 | 13% | 0.129 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -60.4 | -11.7 | -178.9 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | L353 V357 F941 T942 I965 | L353-T355 PolarHBondContact O-N 3.49Å; L353-T355 VanDerWaalsContact O-N 3.15Å; T355-V357 VanDerWaalsContact C-N 3.26Å; T355-V357 PolarHBondContact O-N 3.45Å; T355-F941 HydrophobicContact CG2-CE1 4.05Å; T355-T942 WeakPolarHBondContact OG1-CG2 3.19Å; T355-I965 HydrophobicContact CG2-CG2 4.14Å |
| 356 | V | 83.5 | Confident | 85.9 | Confident | 6 Ų | 6 | 15.6 Ų | 15.6 | 4% | 0.036 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -66.4 | -30.2 | 171.3 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | I292 L353 N354 P358 F939 T942 | I292-V356 HydrophobicContact CG2-CB 4.32Å; I292-V356 HydrophobicContact CG2-CG1 3.43Å; I292-V356 VanDerWaalsContact CG2-CG1 3.43Å; L353-V356 WeakPolarHBondContact O-CB 3.46Å; L353-V356 WeakPolarHBondContact O-CG2 3.27Å; L353-V356 PolarHBondContact O-N 2.93Å; L353-V356 VanDerWaalsContact O-N 3.15Å; N354-V356 PolarHBondContact O-N 3.44Å; V356-P358 WeakPolarHBondContact O-CD 3.24Å; V356-F939 HydrophobicContact CG1-CD1 4.35Å; V356-F939 HydrophobicContact CG1-CE1 3.73Å; V356-F939 HydrophobicContact CG1-CZ 3.91Å; V356-T942 HydrophobicContact CB-CG2 4.35Å; V356-T942 HydrophobicContact CG2-CG2 3.76Å; V356-T942 WeakPolarHBondContact CG2-OG1 3.32Å; V356-T942 VanDerWaalsContact N-CG2 3.31Å |
| 357 | V | 81.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.024 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -101 | 86.6 | 168.4 | -172.8 | 0 | 0 | 0 | 0 | 108 | Y71 F72 I289 I292 V293 N354 T355 I359 | Y71-V357 HydrophobicContact CD1-CB 4.33Å; Y71-V357 HydrophobicContact CD1-CG1 4.04Å; Y71-V357 HydrophobicContact CE1-CB 3.66Å; Y71-V357 HydrophobicContact CE1-CG1 3.88Å; Y71-V357 HydrophobicContact CE1-CG2 4.04Å; F72-V357 HydrophobicContact CE1-CG1 4.46Å; F72-V357 VanDerWaalsContact CE1-O 3.26Å; F72-V357 WeakPolarHBondContact CE1-O 3.32Å; F72-V357 HydrophobicContact CZ-CB 4.47Å; F72-V357 HydrophobicContact CZ-CG1 3.9Å; F72-V357 WeakPolarHBondContact CZ-O 3.42Å; I289-V357 HydrophobicContact CG2-CG1 4.07Å; I292-V357 HydrophobicContact CG2-CG2 3.75Å; V293-V357 HydrophobicContact CG2-CG2 3.83Å; N354-V357 CarbonylContact O-C 3.6Å; N354-V357 PolarHBondContact O-N 3.3Å; T355-V357 VanDerWaalsContact C-N 3.26Å; T355-V357 PolarHBondContact O-N 3.45Å; V357-I359 PolarHBondContact O-N 3.05Å |
| 358 | P | 75.7 | Confident | 85.8 | Confident | 6 Ų | 6 | 14 Ų | 14 | 4% | 0.039 | 8% | 0.075 | C | C | . | . | trans | -70.1 | 117.8 | -174.7 | 22.9 | -36 | 0 | 0 | 0 | 113.3 | V356 S360 L361 F934 N938 | V356-P358 WeakPolarHBondContact O-CD 3.24Å; P358-S360 PolarHBondContact O-N 3.38Å; P358-L361 HydrophobicContact CG-CB 4.19Å; P358-L361 VanDerWaalsContact O-CB 3.23Å; P358-L361 WeakPolarHBondContact O-CB 3.22Å; P358-L361 PolarHBondContact O-N 2.71Å; P358-L361 VanDerWaalsContact O-N 3.12Å; P358-F934 HydrophobicContact CB-CE1 3.52Å; P358-F934 HydrophobicContact CB-CZ 3.85Å; P358-F934 HydrophobicContact CG-CD1 4.05Å; P358-F934 HydrophobicContact CG-CE1 3.26Å; P358-F934 HydrophobicContact CG-CZ 4.11Å; P358-N938 HydrophobicContact CG-CB 4.47Å | ||
| 359 | I | 78.1 | Confident | 85.9 | Confident | 21 Ų | 21 | 13.7 Ų | 13.7 | 11% | 0.108 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -40.5 | 171.8 | -58.9 | 168.8 | 0 | 0 | 0 | 111.1 | F72 T92 P95 V99 V357 L361 | F72-I359 HydrophobicContact CD1-CD1 3.72Å; F72-I359 HydrophobicContact CD1-CG1 3.35Å; F72-I359 HydrophobicContact CD2-CB 4.46Å; F72-I359 HydrophobicContact CD2-CG1 3.74Å; F72-I359 HydrophobicContact CD2-CG2 4.46Å; F72-I359 HydrophobicContact CE1-CB 4.31Å; F72-I359 HydrophobicContact CE1-CD1 3.9Å; F72-I359 HydrophobicContact CE1-CG1 3.11Å; F72-I359 HydrophobicContact CE2-CB 4.03Å; F72-I359 HydrophobicContact CE2-CG1 3.51Å; F72-I359 HydrophobicContact CE2-CG2 4.36Å; F72-I359 HydrophobicContact CG-CD1 4.09Å; F72-I359 HydrophobicContact CG-CG1 3.68Å; F72-I359 HydrophobicContact CZ-CB 3.95Å; F72-I359 HydrophobicContact CZ-CD1 4.4Å; F72-I359 HydrophobicContact CZ-CG1 3.19Å; T92-I359 HydrophobicContact CG2-CD1 4.19Å; P95-I359 HydrophobicContact CB-CB 4.27Å; P95-I359 HydrophobicContact CB-CD1 3.91Å; P95-I359 HydrophobicContact CB-CG2 3.91Å; P95-I359 HydrophobicContact CG-CD1 4.49Å; V99-I359 HydrophobicContact CG2-CG2 3.48Å; V99-I359 VanDerWaalsContact CG2-CG2 3.48Å; V357-I359 PolarHBondContact O-N 3.05Å; I359-L361 PolarHBondContact O-N 3.15Å; I359-L361 VanDerWaalsContact O-N 3.15Å |
| 360 | S | 83.5 | Confident | 85.8 | Confident | 18 Ų | 18 | 15.6 Ų | 15.6 | 13% | 0.126 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.3 | -10.5 | -176.2 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | P358 S364 F934 | P358-S360 PolarHBondContact O-N 3.38Å; S360-S364 VanDerWaalsContact O-CB 3.3Å; S360-S364 WeakPolarHBondContact O-CB 3.33Å; S360-S364 PolarHBondContact O-N 2.94Å; S360-S364 PolarHBondContact O-OG 3.43Å; S360-F934 WeakPolarHBondContact OG-CZ 3.45Å |
| 361 | L | 86.5 | Confident | 85.9 | Confident | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.2 | -55.3 | 177.6 | -179.6 | 53.5 | 0 | 0 | 0 | 111.1 | L285 P358 I359 V363 S364 V365 F930 L931 F934 F935 | L285-L361 HydrophobicContact CD1-CD2 3.7Å; L285-L361 HydrophobicContact CD2-CD2 4.11Å; L285-L361 HydrophobicContact CG-CD2 4.44Å; P358-L361 HydrophobicContact CG-CB 4.19Å; P358-L361 VanDerWaalsContact O-CB 3.23Å; P358-L361 WeakPolarHBondContact O-CB 3.22Å; P358-L361 PolarHBondContact O-N 2.71Å; P358-L361 VanDerWaalsContact O-N 3.12Å; I359-L361 PolarHBondContact O-N 3.15Å; I359-L361 VanDerWaalsContact O-N 3.15Å; L361-V363 PolarHBondContact O-N 2.94Å; L361-S364 PolarHBondContact O-N 3.3Å; L361-V365 HydrophobicContact CD1-CG2 4.19Å; L361-V365 VanDerWaalsContact O-CG2 3.3Å; L361-V365 WeakPolarHBondContact O-CG2 3.48Å; L361-V365 PolarHBondContact O-N 3.37Å; L361-F930 HydrophobicContact CD1-CE1 3.86Å; L361-F930 HydrophobicContact CD1-CZ 3.99Å; L361-L931 HydrophobicContact CD1-CD2 3.73Å; L361-F934 VanDerWaalsContact CA-CZ 3.49Å; L361-F934 HydrophobicContact CB-CD1 4.3Å; L361-F934 HydrophobicContact CB-CE1 3.54Å; L361-F934 HydrophobicContact CB-CZ 3.96Å; L361-F934 HydrophobicContact CD1-CD1 3.54Å; L361-F934 HydrophobicContact CD1-CE1 3.67Å; L361-F934 HydrophobicContact CD1-CG 4.08Å; L361-F934 HydrophobicContact CD1-CZ 4.37Å; L361-F934 HydrophobicContact CG-CD1 4.37Å; L361-F934 HydrophobicContact CG-CE1 4.09Å; L361-F935 HydrophobicContact CD2-CE1 4.34Å; L361-F935 HydrophobicContact CD2-CZ 4.02Å |
| 362 | Y | 81 | Confident | 86.2 | Confident | 49 Ų | 49 | 16.1 Ų | 16.1 | 19% | 0.192 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | -174 | -70.3 | -78.7 | 0 | 0 | 0 | 112.2 | A68 L285 I289 V365 E366 | A68-Y362 HydrophobicContact CB-CD2 3.91Å; A68-Y362 HydrophobicContact CB-CE2 3.15Å; L285-Y362 HydrophobicContact CD2-CD1 4.39Å; L285-Y362 HydrophobicContact CD2-CE1 3.77Å; I289-Y362 HydrophobicContact CD1-CE2 3.84Å; I289-Y362 WeakPolarHBondContact CD1-OH 3.44Å; Y362-V365 PolarHBondContact O-N 2.94Å; Y362-E366 WeakPolarHBondContact O-CG 3.45Å; Y362-E366 PolarHBondContact O-N 3.41Å |
| 363 | V | 81.8 | Confident | 86.4 | Confident | 31 Ų | 31 | 16.1 Ų | 16.1 | 19% | 0.188 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | V99 L102 L361 V365 E366 I367 | V99-V363 HydrophobicContact CB-CG2 3.85Å; V99-V363 HydrophobicContact CG1-CG2 3.78Å; V99-V363 HydrophobicContact CG2-CG2 3.25Å; L102-V363 HydrophobicContact CD1-CG1 4.36Å; L361-V363 PolarHBondContact O-N 2.94Å; V363-V365 PolarHBondContact O-N 3.44Å; V363-E366 PolarHBondContact O-N 3.15Å; V363-I367 HydrophobicContact CG1-CD1 3.86Å; V363-I367 HydrophobicContact CG1-CG1 4.45Å; V363-I367 VanDerWaalsContact O-CG1 3.31Å; V363-I367 WeakPolarHBondContact O-CG1 3.49Å; V363-I367 PolarHBondContact O-N 2.75Å |
| 364 | S | 88.5 | Confident | 86.5 | Confident | 8 Ų | 8 | 21.9 Ų | 21.9 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 179 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | S360 L361 E366 I367 I368 | S360-S364 VanDerWaalsContact O-CB 3.3Å; S360-S364 WeakPolarHBondContact O-CB 3.33Å; S360-S364 PolarHBondContact O-N 2.94Å; S360-S364 PolarHBondContact O-OG 3.43Å; L361-S364 PolarHBondContact O-N 3.3Å; S364-E366 PolarHBondContact O-N 3.4Å; S364-I367 PolarHBondContact O-N 2.94Å; S364-I368 WeakPolarHBondContact O-CB 3.47Å; S364-I368 WeakPolarHBondContact O-CD1 3.47Å; S364-I368 WeakPolarHBondContact O-CG1 3.36Å; S364-I368 PolarHBondContact O-N 2.84Å |
| 365 | V | 88.9 | Confident | 86.9 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 174.9 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | L361 Y362 V363 I368 R369 M927 F930 L931 | L361-V365 HydrophobicContact CD1-CG2 4.19Å; L361-V365 VanDerWaalsContact O-CG2 3.3Å; L361-V365 WeakPolarHBondContact O-CG2 3.48Å; L361-V365 PolarHBondContact O-N 3.37Å; Y362-V365 PolarHBondContact O-N 2.94Å; V363-V365 PolarHBondContact O-N 3.44Å; V365-I368 PolarHBondContact O-N 3.06Å; V365-R369 VanDerWaalsContact CG1-CZ 3.47Å; V365-R369 WeakPolarHBondContact O-CB 3.32Å; V365-R369 WeakPolarHBondContact O-CG 3.43Å; V365-R369 PolarHBondContact O-N 3.05Å; V365-M927 HydrophobicContact CG1-CE 3.94Å; V365-M927 HydrophobicContact CG1-SD 4.18Å; V365-M927 HydrophobicContact CG2-SD 4.07Å; V365-F930 HydrophobicContact CG2-CD1 4.38Å; V365-F930 HydrophobicContact CG2-CE1 3.5Å; V365-F930 HydrophobicContact CG2-CZ 4.17Å; V365-L931 HydrophobicContact CG2-CD2 4.39Å |
| 366 | E | 84.4 | Confident | 87.6 | Confident | 29 Ų | 29 | 25.2 Ų | 25.2 | 14% | 0.136 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 178.4 | -72.5 | -65.4 | 128.8 | 0 | 0 | 112.4 | K106 Y362 V363 S364 R369 V370 | K106-E366 IonicContact NZ-OE2 2.78Å; K106-E366 PolarHBondContact NZ-OE2 3.01Å; Y362-E366 WeakPolarHBondContact O-CG 3.45Å; Y362-E366 PolarHBondContact O-N 3.41Å; V363-E366 PolarHBondContact O-N 3.15Å; S364-E366 PolarHBondContact O-N 3.4Å; E366-R369 PolarHBondContact O-N 3.21Å; E366-R369 IonicContact OE1-NH1 3.29Å; E366-R369 PolarHBondContact OE1-NH1 2.86Å; E366-V370 WeakPolarHBondContact O-CG2 3.27Å; E366-V370 PolarHBondContact O-N 3.21Å |
| 367 | I | 88.7 | Confident | 88 | Confident | 58 Ų | 58 | 27.1 Ų | 27.1 | 30% | 0.297 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61 | -48 | 175.3 | -68.9 | 167.9 | 0 | 0 | 0 | 110.4 | V363 S364 R369 V370 C371 I978 | V363-I367 HydrophobicContact CG1-CD1 3.86Å; V363-I367 HydrophobicContact CG1-CG1 4.45Å; V363-I367 VanDerWaalsContact O-CG1 3.31Å; V363-I367 WeakPolarHBondContact O-CG1 3.49Å; V363-I367 PolarHBondContact O-N 2.75Å; S364-I367 PolarHBondContact O-N 2.94Å; I367-R369 VanDerWaalsContact C-N 3.31Å; I367-R369 PolarHBondContact O-N 2.85Å; I367-V370 PolarHBondContact O-N 3.07Å; I367-C371 PolarHBondContact O-N 2.82Å; I367-C371 PolarHBondContact O-SG 3.3Å; I367-C371 VanDerWaalsContact O-SG 3.37Å; I367-I978 HydrophobicContact CD1-CD1 4.42Å; I367-I978 HydrophobicContact CG2-CG2 4.23Å |
| 368 | I | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 178.9 | -70 | 164.7 | 0 | 0 | 0 | 110.5 | S364 V365 C371 H372 M927 F930 G981 I982 | S364-I368 WeakPolarHBondContact O-CB 3.47Å; S364-I368 WeakPolarHBondContact O-CD1 3.47Å; S364-I368 WeakPolarHBondContact O-CG1 3.36Å; S364-I368 PolarHBondContact O-N 2.84Å; V365-I368 PolarHBondContact O-N 3.06Å; I368-C371 PolarHBondContact O-N 2.98Å; I368-H372 VanDerWaalsContact CG2-CE1 3.41Å; I368-H372 WeakPolarHBondContact CG2-CE1 3.23Å; I368-H372 WeakPolarHBondContact CG2-NE2 3.4Å; I368-H372 PolarHBondContact O-CD2 3.08Å; I368-H372 VanDerWaalsContact O-CD2 3.25Å; I368-H372 VanDerWaalsContact O-CG 3.31Å; I368-H372 PolarHBondContact O-N 3.35Å; I368-M927 HydrophobicContact CB-CE 4.29Å; I368-M927 HydrophobicContact CG2-CE 3.85Å; I368-F930 HydrophobicContact CD1-CB 4.28Å; I368-F930 HydrophobicContact CD1-CD1 3.98Å; I368-F930 HydrophobicContact CD1-CD2 3.43Å; I368-F930 VanDerWaalsContact CD1-CD2 3.43Å; I368-F930 HydrophobicContact CD1-CE1 4.25Å; I368-F930 HydrophobicContact CD1-CE2 3.7Å; I368-F930 HydrophobicContact CD1-CG 3.6Å; I368-F930 HydrophobicContact CD1-CZ 4.14Å; I368-G981 WeakPolarHBondContact CG2-O 3.26Å; I368-I982 HydrophobicContact CG1-CG1 4.31Å |
| 369 | R | 91.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 176.6 | -82.8 | 167 | 170.5 | 167.2 | 8.9 | 112.5 | D282 V365 E366 I367 C371 H372 S373 T396 T397 N399 E400 M927 | D282-R369 IonicContact OD1-CZ 3.37Å; D282-R369 IonicContact OD1-NH1 3.01Å; D282-R369 PolarHBondContact OD1-NH1 3.31Å; D282-R369 IonicContact OD1-NH2 2.84Å; D282-R369 PolarHBondContact OD1-NH2 3.44Å; D282-R369 IonicContact OD2-NH1 2.79Å; D282-R369 IonicContact OD2-NH2 2.79Å; D282-R369 PolarHBondContact OD2-NH2 2.7Å; V365-R369 VanDerWaalsContact CG1-CZ 3.47Å; V365-R369 WeakPolarHBondContact O-CB 3.32Å; V365-R369 WeakPolarHBondContact O-CG 3.43Å; V365-R369 PolarHBondContact O-N 3.05Å; E366-R369 PolarHBondContact O-N 3.21Å; E366-R369 IonicContact OE1-NH1 3.29Å; E366-R369 PolarHBondContact OE1-NH1 2.86Å; I367-R369 VanDerWaalsContact C-N 3.31Å; I367-R369 PolarHBondContact O-N 2.85Å; R369-C371 VanDerWaalsContact C-N 3.32Å; R369-C371 PolarHBondContact O-N 3.29Å; R369-H372 PolarHBondContact O-N 3.35Å; R369-S373 PolarHBondContact O-N 3.23Å; R369-S373 PolarHBondContact O-OG 3.5Å; R369-T396 WeakPolarHBondContact CB-O 3.41Å; R369-T397 PolarHBondContact NE-O 2.77Å; R369-N399 PolarHBondContact O-ND2 3.04Å; R369-E400 IonicContact CZ-OE1 3.47Å; R369-E400 IonicContact NE-OE1 3.58Å; R369-E400 PolarHBondContact NE-OE1 2.84Å; R369-E400 IonicContact NE-OE2 2.82Å; R369-E400 PolarHBondContact NE-OE2 3.37Å; R369-E400 IonicContact NH2-OE1 3.72Å; R369-E400 PolarHBondContact NH2-OE1 2.7Å; R369-M927 HydrophobicContact CG-CE 4.04Å |
| 370 | V | 89.2 | Confident | 90.3 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 26% | 0.255 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | E366 I367 S373 W374 | E366-V370 WeakPolarHBondContact O-CG2 3.27Å; E366-V370 PolarHBondContact O-N 3.21Å; I367-V370 PolarHBondContact O-N 3.07Å; V370-S373 PolarHBondContact O-N 3.49Å; V370-W374 HydrophobicContact CG1-CD2 4.25Å; V370-W374 HydrophobicContact CG1-CH2 4.06Å; V370-W374 HydrophobicContact CG1-CZ2 3.6Å; V370-W374 PolarHBondContact O-N 3.43Å; V370-W374 VanDerWaalsContact O-N 3.11Å |
| 371 | C | 93.9 | Very high | 90.7 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 14% | 0.142 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -50 | 176.1 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | I367 I368 R369 S373 W374 W375 I982 | I367-C371 PolarHBondContact O-N 2.82Å; I367-C371 PolarHBondContact O-SG 3.3Å; I367-C371 VanDerWaalsContact O-SG 3.37Å; I368-C371 PolarHBondContact O-N 2.98Å; R369-C371 VanDerWaalsContact C-N 3.32Å; R369-C371 PolarHBondContact O-N 3.29Å; C371-S373 VanDerWaalsContact C-N 3.26Å; C371-S373 PolarHBondContact O-N 2.85Å; C371-W374 WeakPolarHBondContact O-CA 3.41Å; C371-W374 WeakPolarHBondContact O-CB 3.37Å; C371-W374 PolarHBondContact O-N 3.25Å; C371-W375 PolarHBondContact O-N 3.48Å; C371-I982 HydrophobicContact CB-CD1 3.93Å; C371-I982 HydrophobicContact CB-CG1 3.98Å; C371-I982 HydrophobicContact CB-CG2 4.2Å |
| 372 | H | 95 | Very high | 91 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.6 | -40.9 | 177.6 | -70.7 | -176.4 | 0 | 0 | 0 | 112.4 | I368 R369 W374 W375 I376 N399 S923 G981 | I368-H372 VanDerWaalsContact CG2-CE1 3.41Å; I368-H372 WeakPolarHBondContact CG2-CE1 3.23Å; I368-H372 WeakPolarHBondContact CG2-NE2 3.4Å; I368-H372 PolarHBondContact O-CD2 3.08Å; I368-H372 VanDerWaalsContact O-CD2 3.25Å; I368-H372 VanDerWaalsContact O-CG 3.31Å; I368-H372 PolarHBondContact O-N 3.35Å; R369-H372 PolarHBondContact O-N 3.35Å; H372-W374 VanDerWaalsContact C-N 3.34Å; H372-W374 PolarHBondContact O-N 3.48Å; H372-W375 WeakPolarHBondContact O-CB 3.43Å; H372-W375 PolarHBondContact O-N 2.9Å; H372-I376 PolarHBondContact O-N 3.26Å; H372-I376 VanDerWaalsContact O-N 3.09Å; H372-N399 HydrophobicContact CB-CB 4.11Å; H372-S923 WeakPolarHBondContact ND1-CB 3.41Å; H372-S923 PolarHBondContact ND1-OG 3.32Å; H372-G981 PolarHBondContact NE2-O 3.16Å |
| 373 | S | 91.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | 174 | -66.7 | 0 | 0 | 0 | 0 | 112.8 | R369 V370 C371 I376 N377 T396 N399 | R369-S373 PolarHBondContact O-N 3.23Å; R369-S373 PolarHBondContact O-OG 3.5Å; V370-S373 PolarHBondContact O-N 3.49Å; C371-S373 VanDerWaalsContact C-N 3.26Å; C371-S373 PolarHBondContact O-N 2.85Å; S373-I376 PolarHBondContact O-N 3.14Å; S373-N377 PolarHBondContact O-N 3.39Å; S373-N377 PolarHBondContact O-OD1 2.98Å; S373-N377 VanDerWaalsContact O-OD1 3.11Å; S373-T396 WeakPolarHBondContact OG-CA 3.39Å; S373-N399 PolarHBondContact N-ND2 3.43Å; S373-N399 PolarHBondContact OG-ND2 3.5Å; S373-N399 PolarHBondContact OG-OD1 3.3Å |
| 374 | W | 93.5 | Very high | 91.9 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 173 | -64.1 | -19.4 | 0 | 0 | 0 | 112.6 | V370 C371 H372 I376 N377 W378 | V370-W374 HydrophobicContact CG1-CD2 4.25Å; V370-W374 HydrophobicContact CG1-CH2 4.06Å; V370-W374 HydrophobicContact CG1-CZ2 3.6Å; V370-W374 PolarHBondContact O-N 3.43Å; V370-W374 VanDerWaalsContact O-N 3.11Å; C371-W374 WeakPolarHBondContact O-CA 3.41Å; C371-W374 WeakPolarHBondContact O-CB 3.37Å; C371-W374 PolarHBondContact O-N 3.25Å; H372-W374 VanDerWaalsContact C-N 3.34Å; H372-W374 PolarHBondContact O-N 3.48Å; W374-I376 VanDerWaalsContact C-N 3.29Å; W374-I376 PolarHBondContact O-N 3.01Å; W374-N377 PolarHBondContact O-N 3.38Å; W374-N377 VanDerWaalsContact O-N 3.13Å; W374-W378 HydrophobicContact CB-CE3 4.39Å; W374-W378 HydrophobicContact CB-CH2 4.41Å; W374-W378 HydrophobicContact CB-CZ3 4.34Å; W374-W378 WeakPolarHBondContact O-CB 3.29Å; W374-W378 PolarHBondContact O-N 2.88Å |
| 375 | W | 94.6 | Very high | 91.9 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 37% | 0.367 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -39 | 175.2 | -75.5 | 93.1 | 0 | 0 | 0 | 112.3 | C371 H372 D379 F983 | C371-W375 PolarHBondContact O-N 3.48Å; H372-W375 WeakPolarHBondContact O-CB 3.43Å; H372-W375 PolarHBondContact O-N 2.9Å; W375-D379 PolarHBondContact O-N 2.95Å; W375-F983 HydrophobicContact CH2-CD1 4.3Å; W375-F983 HydrophobicContact CH2-CE1 4.46Å; W375-F983 AromaticContact CZ2-CD1 3.71Å; W375-F983 HydrophobicContact CZ2-CD1 3.71Å; W375-F983 AromaticContact CZ2-CE1 3.68Å; W375-F983 HydrophobicContact CZ2-CE1 3.68Å |
| 376 | I | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 173.7 | -68.3 | 169 | 0 | 0 | 0 | 110.2 | H372 S373 W374 W378 D379 M382 A391 A393 L402 F904 L915 H919 | H372-I376 PolarHBondContact O-N 3.26Å; H372-I376 VanDerWaalsContact O-N 3.09Å; S373-I376 PolarHBondContact O-N 3.14Å; W374-I376 VanDerWaalsContact C-N 3.29Å; W374-I376 PolarHBondContact O-N 3.01Å; I376-W378 VanDerWaalsContact C-N 3.31Å; I376-W378 PolarHBondContact O-N 3.16Å; I376-D379 PolarHBondContact O-N 3.33Å; I376-M382 HydrophobicContact CB-CE 4.46Å; I376-M382 HydrophobicContact CG2-CE 3.92Å; I376-M382 WeakPolarHBondContact O-CE 3.43Å; I376-A391 HydrophobicContact CG2-CB 4.35Å; I376-A393 HydrophobicContact CG2-CB 4.34Å; I376-L402 HydrophobicContact CD1-CD1 4.32Å; I376-F904 HydrophobicContact CD1-CE1 3.91Å; I376-L915 HydrophobicContact CD1-CD1 4.18Å; I376-L915 HydrophobicContact CG1-CD1 4.46Å; I376-L915 HydrophobicContact CG2-CD1 4.08Å; I376-H919 HydrophobicContact CD1-CB 4.31Å; I376-H919 HydrophobicContact CG1-CB 3.93Å |
| 377 | N | 93.2 | Very high | 91.4 | Very high | 46 Ų | 46 | 62.8 Ų | 62.8 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -32.2 | -177.1 | -65.1 | -3.8 | 0 | 0 | 0 | 113.5 | S373 W374 A391 R392 A393 | S373-N377 PolarHBondContact O-N 3.39Å; S373-N377 PolarHBondContact O-OD1 2.98Å; S373-N377 VanDerWaalsContact O-OD1 3.11Å; W374-N377 PolarHBondContact O-N 3.38Å; W374-N377 VanDerWaalsContact O-N 3.13Å; N377-A391 WeakPolarHBondContact CA-O 2.93Å; N377-R392 VanDerWaalsContact OD1-CA 3.24Å; N377-R392 WeakPolarHBondContact OD1-CA 3.33Å; N377-A393 PolarHBondContact OD1-N 2.98Å |
| 378 | W | 93.8 | Very high | 91.2 | Very high | 194 Ų | 194 | 65.6 Ų | 65.6 | 74% | 0.735 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -0.2 | -178.3 | -65.9 | -21 | 0 | 0 | 0 | 114 | W374 I376 K380 | W374-W378 HydrophobicContact CB-CE3 4.39Å; W374-W378 HydrophobicContact CB-CH2 4.41Å; W374-W378 HydrophobicContact CB-CZ3 4.34Å; W374-W378 WeakPolarHBondContact O-CB 3.29Å; W374-W378 PolarHBondContact O-N 2.88Å; I376-W378 VanDerWaalsContact C-N 3.31Å; I376-W378 PolarHBondContact O-N 3.16Å; W378-K380 PolarHBondContact O-N 3.16Å; W378-K380 VanDerWaalsContact O-N 3.09Å |
| 379 | D | 94.9 | Very high | 90.7 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | trans | -72.6 | 107.1 | -179 | -166.4 | -10.9 | 0 | 0 | 0 | 112 | W375 I376 F381 M382 R914 H919 | W375-D379 PolarHBondContact O-N 2.95Å; I376-D379 PolarHBondContact O-N 3.33Å; D379-F381 PolarHBondContact O-N 3.03Å; D379-F381 PolarHBondContact OD1-N 3.49Å; D379-M382 HydrophobicContact CB-CE 3.64Å; D379-M382 HydrophobicContact CB-CG 4.45Å; D379-M382 PolarHBondContact O-N 2.93Å; D379-R914 IonicContact OD1-CZ 3.81Å; D379-R914 IonicContact OD1-NE 2.85Å; D379-R914 IonicContact OD1-NH2 3.89Å; D379-R914 IonicContact OD2-CZ 2.71Å; D379-R914 IonicContact OD2-NE 3.75Å; D379-R914 PolarHBondContact OD2-NE 3Å; D379-R914 IonicContact OD2-NH2 3.77Å; D379-R914 PolarHBondContact OD2-NH2 2.84Å; D379-H919 IonicContact OD2-CD2 3.78Å; D379-H919 IonicContact OD2-CE1 2.7Å; D379-H919 IonicContact OD2-NE2 2.76Å; D379-H919 PolarHBondContact OD2-NE2 2.89Å | ||
| 380 | K | 93.8 | Very high | 90.6 | Very high | 180 Ų | 180 | 68.4 Ų | 68.4 | 78% | 0.783 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -58.8 | -28.5 | 177.9 | -172.8 | 178.2 | 179.4 | -179.8 | 0 | 113.1 | W378 M382 Y383 | W378-K380 PolarHBondContact O-N 3.16Å; W378-K380 VanDerWaalsContact O-N 3.09Å; K380-M382 PolarHBondContact O-N 3.49Å; K380-Y383 WeakPolarHBondContact O-CB 3.26Å; K380-Y383 PolarHBondContact O-N 3.29Å |
| 381 | F | 92.9 | Very high | 90.7 | Very high | 139 Ų | 139 | 66.4 Ų | 66.4 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -76.9 | -9.9 | 179.2 | -65.3 | -75 | 0 | 0 | 0 | 113.3 | D379 F911 | D379-F381 PolarHBondContact O-N 3.03Å; D379-F381 PolarHBondContact OD1-N 3.49Å; F381-F911 WeakPolarHBondContact O-CD1 3.4Å; F381-F911 WeakPolarHBondContact O-CE1 3.33Å |
| 382 | M | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -108.2 | 24.9 | 172.5 | -58.2 | -168.1 | -68.1 | 0 | 0 | 112.1 | I376 D379 K380 A391 F911 R914 L915 H919 | I376-M382 HydrophobicContact CB-CE 4.46Å; I376-M382 HydrophobicContact CG2-CE 3.92Å; I376-M382 WeakPolarHBondContact O-CE 3.43Å; D379-M382 HydrophobicContact CB-CE 3.64Å; D379-M382 HydrophobicContact CB-CG 4.45Å; D379-M382 PolarHBondContact O-N 2.93Å; K380-M382 PolarHBondContact O-N 3.49Å; M382-A391 HydrophobicContact CB-CB 3.73Å; M382-A391 HydrophobicContact CE-CB 4.04Å; M382-A391 PolarHBondContact O-N 3.24Å; M382-A391 VanDerWaalsContact O-N 3.15Å; M382-A391 HydrophobicContact SD-CB 4.38Å; M382-F911 HydrophobicContact CB-CB 4.36Å; M382-F911 HydrophobicContact CB-CD1 4.46Å; M382-F911 HydrophobicContact CB-CG 4.26Å; M382-F911 HydrophobicContact CG-CB 4.24Å; M382-F911 HydrophobicContact CG-CD1 4.49Å; M382-F911 HydrophobicContact CG-CG 4.46Å; M382-R914 HydrophobicContact CG-CB 4.29Å; M382-R914 HydrophobicContact CG-CG 4.23Å; M382-R914 HydrophobicContact SD-CB 4.28Å; M382-R914 HydrophobicContact SD-CG 4.3Å; M382-L915 HydrophobicContact SD-CB 4.19Å; M382-H919 VanDerWaalsContact CE-CD2 3.46Å; M382-H919 WeakPolarHBondContact CE-CD2 3.45Å; M382-H919 WeakPolarHBondContact CE-NE2 3.48Å |
| 383 | Y | 92.3 | Very high | 90.2 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 37% | 0.365 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.9 | 173.7 | 173.4 | -105.7 | 0 | 0 | 0 | 110.7 | K380 A385 D388 | K380-Y383 WeakPolarHBondContact O-CB 3.26Å; K380-Y383 PolarHBondContact O-N 3.29Å; Y383-A385 HydrophobicContact CE1-CB 4.09Å; Y383-D388 WeakPolarHBondContact CE2-OD1 3.25Å; Y383-D388 PolarHBondContact OH-OD1 3.43Å |
| 384 | H | 88.6 | Confident | 89.7 | Confident | 15 Ų | 15 | 78.5 Ų | 78.5 | 7% | 0.069 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 109.3 | 174.6 | -169.1 | -127.4 | 0 | 0 | 0 | 110.6 | N386 T387 D388 T389 Q908 F911 | H384-N386 PolarHBondContact O-N 3.03Å; H384-T387 PolarHBondContact ND1-OG1 3.23Å; H384-D388 WeakPolarHBondContact O-CA 3.23Å; H384-D388 PolarHBondContact O-N 3.09Å; H384-D388 VanDerWaalsContact O-N 3.12Å; H384-T389 PolarHBondContact N-O 3.39Å; H384-T389 PolarHBondContact O-N 3.06Å; H384-Q908 PolarHBondContact CD2-OE1 3Å; H384-Q908 VanDerWaalsContact CD2-OE1 3.26Å; H384-Q908 PolarHBondContact NE2-NE2 3.48Å; H384-F911 HydrophobicContact CB-CE2 4Å; H384-F911 HydrophobicContact CB-CZ 4.45Å |
| 385 | A | 88.3 | Confident | 89.1 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -35.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y383 T387 D388 | Y383-A385 HydrophobicContact CE1-CB 4.09Å; A385-T387 PolarHBondContact O-N 2.81Å; A385-D388 PolarHBondContact O-N 2.94Å |
| 386 | N | 82.6 | Confident | 88.6 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 74% | 0.738 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -30.9 | -173.3 | -64.7 | -26.6 | 0 | 0 | 0 | 113.4 | H384 | H384-N386 PolarHBondContact O-N 3.03Š|
| 387 | T | 79.4 | Confident | 88.1 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -1.6 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | H384 A385 T389 | H384-T387 PolarHBondContact ND1-OG1 3.23Å; A385-T387 PolarHBondContact O-N 2.81Å; T387-T389 VanDerWaalsContact C-N 3.28Å; T387-T389 PolarHBondContact O-N 3.24Å; T387-T389 PolarHBondContact OG1-OG1 2.89Å |
| 388 | D | 85 | Confident | 87.9 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 44.3 | -171.6 | -166.7 | 30.8 | 0 | 0 | 0 | 113.1 | Y383 H384 A385 | Y383-D388 WeakPolarHBondContact CE2-OD1 3.25Å; Y383-D388 PolarHBondContact OH-OD1 3.43Å; H384-D388 WeakPolarHBondContact O-CA 3.23Å; H384-D388 PolarHBondContact O-N 3.09Å; H384-D388 VanDerWaalsContact O-N 3.12Å; A385-D388 PolarHBondContact O-N 2.94Å |
| 389 | T | 81.9 | Confident | 87.8 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.4 | -177.8 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | H384 T387 G907 | H384-T389 PolarHBondContact N-O 3.39Å; H384-T389 PolarHBondContact O-N 3.06Å; T387-T389 VanDerWaalsContact C-N 3.28Å; T387-T389 PolarHBondContact O-N 3.24Å; T387-T389 PolarHBondContact OG1-OG1 2.89Å; T389-G907 WeakPolarHBondContact OG1-CA 3.35Å |
| 390 | S | 90 | Very high | 87.7 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 154.6 | 167.2 | 69 | 0 | 0 | 0 | 0 | 111.3 | ||
| 391 | A | 91.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | trans | -58.1 | 141.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I376 N377 M382 C905 I906 | I376-A391 HydrophobicContact CG2-CB 4.35Å; N377-A391 WeakPolarHBondContact CA-O 2.93Å; M382-A391 HydrophobicContact CB-CB 3.73Å; M382-A391 HydrophobicContact CE-CB 4.04Å; M382-A391 PolarHBondContact O-N 3.24Å; M382-A391 VanDerWaalsContact O-N 3.15Å; M382-A391 HydrophobicContact SD-CB 4.38Å; A391-C905 CarbonylContact C-O 3.54Å; A391-C905 WeakPolarHBondContact CA-O 3.43Å; A391-I906 HydrophobicContact CB-CG2 4.33Å | ||
| 392 | R | 89.2 | Confident | 87.8 | Confident | 160 Ų | 160 | 44 Ų | 44 | 60% | 0.604 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 119.1 | 176.9 | -66.9 | -171.4 | -175.3 | 178.6 | 2.6 | 111.6 | N377 R394 F904 C905 | N377-R392 VanDerWaalsContact OD1-CA 3.24Å; N377-R392 WeakPolarHBondContact OD1-CA 3.33Å; R392-R394 PolarHBondContact O-N 2.78Å; R392-F904 CarbonylContact O-C 3.47Å; R392-F904 WeakPolarHBondContact O-CA 3.42Å; R392-C905 HydrophobicContact CB-CB 4.36Å; R392-C905 PolarHBondContact N-O 3.44Å; R392-C905 PolarHBondContact O-N 2.93Å |
| 393 | A | 89.1 | Confident | 87.8 | Confident | 10 Ų | 10 | 44 Ų | 44 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 104.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | I376 N377 F904 | I376-A393 HydrophobicContact CG2-CB 4.34Å; N377-A393 PolarHBondContact OD1-N 2.98Å; A393-F904 HydrophobicContact CB-CD1 3.72Å; A393-F904 HydrophobicContact CB-CE1 3.57Å |
| 394 | R | 81.6 | Confident | 87.9 | Confident | 108 Ų | 108 | 39.9 Ų | 39.9 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -85.7 | -36.1 | 178.8 | -59.1 | -168.5 | 69.1 | 157.1 | -0.7 | 111.9 | R392 V899 L900 D903 | R392-R394 PolarHBondContact O-N 2.78Å; R394-V899 PolarHBondContact NH1-O 2.94Å; R394-L900 VanDerWaalsContact NH1-CA 3.29Å; R394-D903 WeakPolarHBondContact CA-O 3.35Å; R394-D903 WeakPolarHBondContact CB-O 3.31Å; R394-D903 PolarHBondContact N-O 3.23Å |
| 395 | T | 80.6 | Confident | 88.2 | Confident | 41 Ų | 41 | 39.1 Ų | 39.1 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | trans | -102 | 107 | 174.9 | -53.5 | 0 | 0 | 0 | 0 | 109 | T397 L398 D903 | T395-T397 VanDerWaalsContact C-N 3.29Å; T395-T397 PolarHBondContact O-N 2.86Å; T395-L398 HydrophobicContact CG2-CD1 3.77Å; T395-L398 HydrophobicContact CG2-CG 3.78Å; T395-D903 WeakPolarHBondContact CB-OD1 3.45Å; T395-D903 PolarHBondContact N-O 3.33Å; T395-D903 VanDerWaalsContact N-O 3.1Å; T395-D903 PolarHBondContact OG1-OD1 3.03Å | ||
| 396 | T | 83.5 | Confident | 88.5 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -72.9 | -18.2 | -174.1 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | R369 S373 L398 N399 | R369-T396 WeakPolarHBondContact CB-O 3.41Å; S373-T396 WeakPolarHBondContact OG-CA 3.39Å; T396-L398 PolarHBondContact O-N 3.15Å; T396-N399 PolarHBondContact O-ND2 3.38Å |
| 397 | T | 84.3 | Confident | 89.1 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -82.5 | -11 | -172.2 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | T279 R369 T395 | T279-T397 WeakPolarHBondContact CG2-O 3.44Å; R369-T397 PolarHBondContact NE-O 2.77Å; T395-T397 VanDerWaalsContact C-N 3.29Å; T395-T397 PolarHBondContact O-N 2.86Å |
| 398 | L | 88.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -103.2 | 4.9 | -168.3 | -56.3 | 178.4 | 0 | 0 | 0 | 114.2 | K277 T279 T395 T396 E400 E401 L402 D903 F904 | K277-L398 HydrophobicContact CB-CD1 4.27Å; K277-L398 HydrophobicContact CB-CD2 3.99Å; K277-L398 HydrophobicContact CD-CD1 4.15Å; T279-L398 HydrophobicContact CG2-CD2 3.77Å; T395-L398 HydrophobicContact CG2-CD1 3.77Å; T395-L398 HydrophobicContact CG2-CG 3.78Å; T396-L398 PolarHBondContact O-N 3.15Å; L398-E400 PolarHBondContact O-N 2.8Å; L398-E401 PolarHBondContact O-N 2.88Å; L398-E401 VanDerWaalsContact O-N 3.13Å; L398-L402 PolarHBondContact O-N 3.22Å; L398-D903 HydrophobicContact CD1-CB 3.89Å; L398-D903 VanDerWaalsContact CD1-CG 3.42Å; L398-F904 HydrophobicContact CB-CE2 4.19Å; L398-F904 HydrophobicContact CB-CZ 4.41Å |
| 399 | N | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -40 | -170.9 | -61.8 | -41.4 | 0 | 0 | 0 | 113 | R369 H372 S373 T396 E401 L402 F904 S923 | R369-N399 PolarHBondContact O-ND2 3.04Å; H372-N399 HydrophobicContact CB-CB 4.11Å; S373-N399 PolarHBondContact N-ND2 3.43Å; S373-N399 PolarHBondContact OG-ND2 3.5Å; S373-N399 PolarHBondContact OG-OD1 3.3Å; T396-N399 PolarHBondContact O-ND2 3.38Å; N399-E401 VanDerWaalsContact C-N 3.33Å; N399-L402 WeakPolarHBondContact O-CB 3.33Å; N399-L402 PolarHBondContact O-N 3.44Å; N399-F904 WeakPolarHBondContact OD1-CE1 3.1Å; N399-S923 WeakPolarHBondContact O-CB 3.45Å |
| 400 | E | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -25.7 | 178.3 | 69.6 | -83.1 | -168.1 | 0 | 0 | 113.4 | T279 L281 R369 L398 L402 G403 Y924 M927 | T279-E400 WeakPolarHBondContact CG2-OE1 3.48Å; T279-E400 PolarHBondContact OG1-OE1 2.66Å; L281-E400 HydrophobicContact CD1-CG 4.36Å; R369-E400 IonicContact CZ-OE1 3.47Å; R369-E400 IonicContact NE-OE1 3.58Å; R369-E400 PolarHBondContact NE-OE1 2.84Å; R369-E400 IonicContact NE-OE2 2.82Å; R369-E400 PolarHBondContact NE-OE2 3.37Å; R369-E400 IonicContact NH2-OE1 3.72Å; R369-E400 PolarHBondContact NH2-OE1 2.7Å; L398-E400 PolarHBondContact O-N 2.8Å; E400-L402 PolarHBondContact O-N 3Å; E400-G403 PolarHBondContact O-N 3.35Å; E400-G403 VanDerWaalsContact O-N 3.12Å; E400-Y924 WeakPolarHBondContact O-CB 3.09Å; E400-M927 HydrophobicContact CB-CB 4.22Å; E400-M927 HydrophobicContact CB-CG 4.48Å |
| 401 | E | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -74 | -21 | 179.9 | -170.9 | 162.3 | -136.1 | 0 | 0 | 111 | T279 S280 L398 N399 G403 Q404 V867 I886 | T279-E401 HydrophobicContact CG2-CB 4.19Å; S280-E401 PolarHBondContact N-OE1 2.95Å; L398-E401 PolarHBondContact O-N 2.88Å; L398-E401 VanDerWaalsContact O-N 3.13Å; N399-E401 VanDerWaalsContact C-N 3.33Å; E401-G403 PolarHBondContact O-N 2.84Å; E401-G403 VanDerWaalsContact O-N 3.17Å; E401-Q404 PolarHBondContact O-N 2.87Å; E401-Q404 VanDerWaalsContact O-N 3.09Å; E401-V867 HydrophobicContact CG-CG1 3.52Å; E401-V867 HydrophobicContact CG-CG2 4.15Å; E401-I886 HydrophobicContact CB-CD1 3.93Å; E401-I886 HydrophobicContact CG-CD1 3.96Å; E401-I886 HydrophobicContact CG-CG1 4.4Å |
| 402 | L | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -60.4 | -18.9 | 167.8 | -69.3 | 171.6 | 0 | 0 | 0 | 113.1 | I376 L398 N399 E400 I405 L869 I886 F904 L915 L916 G920 Y999 | I376-L402 HydrophobicContact CD1-CD1 4.32Å; L398-L402 PolarHBondContact O-N 3.22Å; N399-L402 WeakPolarHBondContact O-CB 3.33Å; N399-L402 PolarHBondContact O-N 3.44Å; E400-L402 PolarHBondContact O-N 3Å; L402-I405 HydrophobicContact CD2-CD1 4.08Å; L402-L869 HydrophobicContact CD2-CD1 4.46Å; L402-I886 HydrophobicContact CB-CD1 4.49Å; L402-I886 HydrophobicContact CD2-CD1 3.8Å; L402-I886 HydrophobicContact CD2-CG2 3.93Å; L402-I886 HydrophobicContact CG-CD1 4.02Å; L402-F904 HydrophobicContact CD1-CD1 4.37Å; L402-F904 HydrophobicContact CD1-CE1 3.76Å; L402-F904 HydrophobicContact CD1-CE2 3.92Å; L402-F904 HydrophobicContact CD1-CZ 3.51Å; L402-F904 HydrophobicContact CD2-CD2 4.18Å; L402-F904 HydrophobicContact CD2-CE2 3.92Å; L402-F904 HydrophobicContact CD2-CZ 4.38Å; L402-F904 HydrophobicContact CG-CE2 3.96Å; L402-F904 HydrophobicContact CG-CZ 3.98Å; L402-L915 HydrophobicContact CD1-CD1 3.81Å; L402-L915 HydrophobicContact CD1-CG 4.1Å; L402-L915 HydrophobicContact CD2-CD2 4.41Å; L402-L915 HydrophobicContact CD2-CG 4.36Å; L402-L916 HydrophobicContact CB-CD2 4.22Å; L402-L916 HydrophobicContact CD2-CD2 3.74Å; L402-G920 VanDerWaalsContact CB-CA 3.48Å; L402-Y999 WeakPolarHBondContact O-CE2 3.4Å; L402-Y999 PolarHBondContact O-OH 2.87Å |
| 403 | G | 93.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -87.6 | 1.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E400 E401 G920 G1002 | E400-G403 PolarHBondContact O-N 3.35Å; E400-G403 VanDerWaalsContact O-N 3.12Å; E401-G403 PolarHBondContact O-N 2.84Å; E401-G403 VanDerWaalsContact O-N 3.17Å; G403-G920 VanDerWaalsContact CA-C 3.44Å; G403-G920 VanDerWaalsContact CA-O 3.3Å; G403-G920 WeakPolarHBondContact CA-O 3.45Å; G403-G920 PolarHBondContact N-O 2.96Å; G403-G1002 CarbonylContact O-C 3.51Å; G403-G1002 WeakPolarHBondContact O-CA 3.45Å |
| 404 | Q | 93.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 14.2 Ų | 14.2 | 2% | 0.023 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -124.8 | 4.9 | -171 | -57.5 | 176.5 | -62.2 | 0 | 0 | 113.6 | S280 E401 Q406 V867 Y924 Y999 N1005 | S280-Q404 PolarHBondContact OG-NE2 2.93Å; S280-Q404 PolarHBondContact OG-OE1 2.99Å; E401-Q404 PolarHBondContact O-N 2.87Å; E401-Q404 VanDerWaalsContact O-N 3.09Å; Q404-Q406 PolarHBondContact O-N 3.41Å; Q404-V867 HydrophobicContact CB-CB 4.42Å; Q404-V867 HydrophobicContact CB-CG2 3.93Å; Q404-V867 WeakPolarHBondContact O-CB 3.23Å; Q404-Y924 HydrophobicContact CG-CD2 3.67Å; Q404-Y924 HydrophobicContact CG-CE2 3.78Å; Q404-Y924 HydrophobicContact CG-CG 4.31Å; Q404-Y924 VanDerWaalsContact NE2-CE2 3.31Å; Q404-Y999 PolarHBondContact N-OH 3.45Å; Q404-N1005 PolarHBondContact NE2-OD1 3.19Å |
| 405 | I | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.7 | -173.5 | -69 | 154.1 | 0 | 0 | 0 | 110.7 | L402 V408 V700 V867 L869 I886 L916 Y999 Q1003 | L402-I405 HydrophobicContact CD2-CD1 4.08Å; I405-V408 HydrophobicContact CG2-CG2 3.93Å; I405-V700 HydrophobicContact CG2-CG1 4.47Å; I405-V867 HydrophobicContact CG1-CG1 3.9Å; I405-L869 HydrophobicContact CD1-CB 3.88Å; I405-L869 HydrophobicContact CD1-CD1 3.41Å; I405-L869 VanDerWaalsContact CD1-CD1 3.41Å; I405-L869 HydrophobicContact CD1-CG 4.28Å; I405-L869 HydrophobicContact CG1-CB 4.14Å; I405-L869 HydrophobicContact CG2-CB 3.83Å; I405-I886 HydrophobicContact CD1-CD1 4.05Å; I405-I886 HydrophobicContact CG1-CD1 4.35Å; I405-L916 HydrophobicContact CD1-CD1 4.34Å; I405-L916 HydrophobicContact CD1-CD2 3.36Å; I405-L916 HydrophobicContact CD1-CG 4.49Å; I405-Y999 WeakPolarHBondContact CB-OH 3.44Å; I405-Y999 PolarHBondContact N-OH 2.87Å; I405-Y999 WeakPolarHBondContact O-CE1 2.92Å; I405-Q1003 PolarHBondContact O-NE2 3.4Å |
| 406 | Q | 94 | Very high | 89.9 | Confident | 51 Ų | 51 | 7.2 Ų | 7.2 | 24% | 0.238 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -27.9 | 175.8 | -64.3 | 177.5 | 13.2 | 0 | 0 | 112.4 | Q404 K701 A866 V867 Q1003 | Q404-Q406 PolarHBondContact O-N 3.41Å; Q406-K701 PolarHBondContact O-N 3.43Å; Q406-A866 HydrophobicContact CB-CB 4.15Å; Q406-A866 HydrophobicContact CG-CB 4.47Å; Q406-A866 VanDerWaalsContact OE1-CB 3.24Å; Q406-V867 PolarHBondContact N-O 3.38Å; Q406-Q1003 HydrophobicContact CG-CB 3.94Å; Q406-Q1003 HydrophobicContact CG-CG 3.9Å; Q406-Q1003 PolarHBondContact NE2-O 2.68Å |
| 407 | Y | 94.9 | Very high | 89.9 | Confident | 9 Ų | 9 | 5.7 Ų | 5.7 | 4% | 0.035 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.7 | 179.9 | -67.2 | -94.2 | 0 | 0 | 0 | 110.6 | K701 W703 T838 V860 Q864 A866 V867 L869 | Y407-K701 WeakPolarHBondContact CA-O 3.47Å; Y407-K701 HydrophobicContact CD1-CB 3.94Å; Y407-K701 HydrophobicContact CD1-CD 4.31Å; Y407-K701 HydrophobicContact CE1-CB 4.08Å; Y407-K701 HydrophobicContact CE1-CD 3.59Å; Y407-K701 HydrophobicContact CE1-CG 4.42Å; Y407-W703 HydrophobicContact CD1-CZ2 4.38Å; Y407-W703 AromaticContact CD1-NE1 3.97Å; Y407-W703 HydrophobicContact CE1-CZ2 4.09Å; Y407-T838 HydrophobicContact CE1-CG2 4.35Å; Y407-T838 WeakPolarHBondContact OH-CG2 3.41Å; Y407-V860 HydrophobicContact CD1-CG1 4.14Å; Y407-V860 HydrophobicContact CD2-CG1 3.99Å; Y407-V860 HydrophobicContact CE1-CG1 4.37Å; Y407-V860 HydrophobicContact CE2-CG1 4.24Å; Y407-V860 HydrophobicContact CG-CG1 3.96Å; Y407-Q864 HydrophobicContact CE2-CB 4.48Å; Y407-A866 HydrophobicContact CD2-CB 3.78Å; Y407-A866 HydrophobicContact CE2-CB 3.7Å; Y407-V867 PolarHBondContact N-O 3.03Å; Y407-L869 PolarHBondContact O-N 2.86Å |
| 408 | V | 95.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.3 | 172.4 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | I405 V700 K701 I702 W703 L869 I871 L912 | I405-V408 HydrophobicContact CG2-CG2 3.93Å; V408-V700 HydrophobicContact CB-CG1 4.23Å; V408-V700 HydrophobicContact CG2-CG1 3.48Å; V408-V700 VanDerWaalsContact CG2-CG1 3.48Å; V408-K701 PolarHBondContact N-O 2.8Å; V408-I702 HydrophobicContact CB-CG1 4.42Å; V408-I702 WeakPolarHBondContact O-CA 3.45Å; V408-W703 PolarHBondContact O-N 3.01Å; V408-L869 CarbonylContact C-O 3.58Å; V408-L869 WeakPolarHBondContact CA-O 3.31Å; V408-L869 HydrophobicContact CG1-CD2 3.96Å; V408-L869 HydrophobicContact CG2-CB 4.3Å; V408-L869 HydrophobicContact CG2-CD2 4.22Å; V408-I871 HydrophobicContact CG1-CG2 4.23Å; V408-L912 HydrophobicContact CG1-CD2 4.27Å |
| 409 | F | 95.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 113.2 | 172 | -57.5 | -84.4 | 0 | 0 | 0 | 108.7 | W703 L705 V856 V857 V860 T868 L869 A870 I871 M880 | F409-W703 CarbonylContact C-O 3.5Å; F409-W703 WeakPolarHBondContact CA-O 3.16Å; F409-W703 HydrophobicContact CD1-CB 3.78Å; F409-W703 HydrophobicContact CD1-CD2 4.46Å; F409-W703 HydrophobicContact CD1-CE3 4.23Å; F409-W703 HydrophobicContact CD1-CG 4.35Å; F409-W703 HydrophobicContact CE1-CB 4.08Å; F409-W703 AromaticContact CE1-CD2 3.87Å; F409-W703 HydrophobicContact CE1-CD2 3.87Å; F409-W703 AromaticContact CE1-CE3 3.52Å; F409-W703 HydrophobicContact CE1-CE3 3.52Å; F409-W703 HydrophobicContact CE1-CG 4.16Å; F409-W703 HydrophobicContact CE1-CZ3 4.18Å; F409-W703 HydrophobicContact CZ-CE3 4.47Å; F409-L705 HydrophobicContact CB-CD1 4.21Å; F409-L705 HydrophobicContact CD1-CD1 3.91Å; F409-L705 HydrophobicContact CD1-CG 4.37Å; F409-L705 HydrophobicContact CG-CD1 4.42Å; F409-V856 HydrophobicContact CD1-CG1 4.5Å; F409-V856 HydrophobicContact CE1-CG1 4.07Å; F409-V857 HydrophobicContact CB-CG2 4.07Å; F409-V857 HydrophobicContact CD1-CG2 4.03Å; F409-V857 HydrophobicContact CD2-CG1 4.36Å; F409-V857 HydrophobicContact CD2-CG2 3.7Å; F409-V857 HydrophobicContact CE1-CG2 4.4Å; F409-V857 HydrophobicContact CE2-CG1 4.35Å; F409-V857 HydrophobicContact CE2-CG2 4.13Å; F409-V857 HydrophobicContact CG-CG2 3.65Å; F409-V857 HydrophobicContact CZ-CG2 4.46Å; F409-V860 HydrophobicContact CE1-CG2 4.2Å; F409-V860 HydrophobicContact CZ-CB 3.75Å; F409-V860 HydrophobicContact CZ-CG1 3.96Å; F409-V860 HydrophobicContact CZ-CG2 3.76Å; F409-T868 HydrophobicContact CE2-CG2 3.81Å; F409-L869 WeakPolarHBondContact CD2-O 3.48Å; F409-L869 PolarHBondContact N-O 3.04Å; F409-A870 HydrophobicContact CB-CB 4.41Å; F409-A870 CarbonylContact O-C 3.54Å; F409-A870 VanDerWaalsContact O-CA 3.31Å; F409-A870 WeakPolarHBondContact O-CA 3.15Å; F409-I871 PolarHBondContact O-N 3.12Å; F409-M880 HydrophobicContact CB-SD 4.12Å |
| 410 | S | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.1 | -178.6 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | W703 V704 L705 | S410-W703 PolarHBondContact N-O 2.8Å; S410-V704 CarbonylContact O-C 3.55Å; S410-V704 WeakPolarHBondContact O-CA 3.26Å; S410-L705 PolarHBondContact O-N 3.38Å |
| 411 | D | 88.8 | Confident | 88 | Confident | 9 Ų | 9 | 16.1 Ų | 16.1 | 5% | 0.048 | 8% | 0.083 | C | C | . | . | trans | -70.8 | 161.9 | 156 | -168.9 | 55.2 | 0 | 0 | 0 | 110.6 | T413 L416 L705 K853 I871 | D411-T413 PolarHBondContact OD2-N 3.36Å; D411-L416 WeakPolarHBondContact O-CG 3.43Å; D411-L705 VanDerWaalsContact OD1-O 3.07Å; D411-K853 IonicContact OD1-NZ 2.71Å; D411-K853 PolarHBondContact OD1-NZ 3.18Å; D411-I871 PolarHBondContact N-O 3.41Å | ||
| 412 | K | 83.6 | Confident | 87.7 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -94.5 | -56.9 | 178.3 | 173.5 | -135.8 | 155.3 | 168 | 0 | 111.7 | L416 T417 D682 V704 D708 I729 | K412-L416 PolarHBondContact O-N 2.93Å; K412-T417 HydrophobicContact CG-CG2 4.33Å; K412-T417 PolarHBondContact O-N 3.35Å; K412-D682 IonicContact NZ-OD2 2.69Å; K412-V704 HydrophobicContact CB-CG1 4.14Å; K412-D708 IonicContact NZ-OD2 3.93Å; K412-D708 PolarHBondContact NZ-OD2 3.01Å; K412-I729 HydrophobicContact CD-CD1 3.47Å; K412-I729 VanDerWaalsContact CD-CD1 3.47Å; K412-I729 HydrophobicContact CG-CD1 3.99Å; K412-I729 HydrophobicContact CG-CG2 4.13Å |
| 413 | T | 78.4 | Confident | 87.5 | Confident | 24 Ų | 24 | 17.9 Ų | 17.9 | 15% | 0.147 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 132.7 | -167.5 | -58.8 | 0 | 0 | 0 | 0 | 108.1 | D411 T415 | D411-T413 PolarHBondContact OD2-N 3.36Å; T413-T415 PolarHBondContact O-N 3.04Å |
| 414 | G | 77.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 20 Ų | 20 | 8% | 0.082 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -22.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T417 Q685 D873 | G414-T417 CarbonylContact C-O 3.44Å; G414-T417 VanDerWaalsContact C-O 3.28Å; G414-T417 VanDerWaalsContact CA-O 3.25Å; G414-T417 WeakPolarHBondContact CA-O 3.09Å; G414-T417 PolarHBondContact N-O 2.93Å; G414-Q685 PolarHBondContact O-NE2 3.13Å; G414-D873 VanDerWaalsContact CA-OD2 3.23Å; G414-D873 WeakPolarHBondContact CA-OD2 3.33Å |
| 415 | T | 86.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -60.2 | 175.3 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | T413 Q685 I871 G872 D873 V890 F909 | T413-T415 PolarHBondContact O-N 3.04Å; T415-Q685 PolarHBondContact O-NE2 3.43Å; T415-I871 HydrophobicContact CG2-CD1 4.46Å; T415-I871 HydrophobicContact CG2-CG1 4.04Å; T415-I871 HydrophobicContact CG2-CG2 4.33Å; T415-G872 WeakPolarHBondContact OG1-CA 3.37Å; T415-D873 PolarHBondContact OG1-N 3.48Å; T415-D873 PolarHBondContact OG1-OD1 3.41Å; T415-V890 HydrophobicContact CG2-CG2 4.21Å; T415-F909 HydrophobicContact CG2-CD2 3.91Å |
| 416 | L | 87.2 | Confident | 87.1 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -36.2 | 175.9 | -63.9 | 175.6 | 0 | 0 | 0 | 111.4 | D411 K412 L684 Q685 V688 I692 V704 F909 | D411-L416 WeakPolarHBondContact O-CG 3.43Å; K412-L416 PolarHBondContact O-N 2.93Å; L416-L684 CarbonylContact O-C 3.46Å; L416-L684 WeakPolarHBondContact O-CA 3.47Å; L416-Q685 PolarHBondContact O-N 3.49Å; L416-V688 HydrophobicContact CB-CG1 4.46Å; L416-V688 HydrophobicContact CD2-CG1 3.72Å; L416-I692 HydrophobicContact CD2-CD1 4.17Å; L416-V704 HydrophobicContact CD1-CG1 4.28Å; L416-V704 HydrophobicContact CD1-CG2 4.02Å; L416-F909 HydrophobicContact CD2-CD1 4.14Å; L416-F909 HydrophobicContact CD2-CD2 3.78Å; L416-F909 HydrophobicContact CD2-CE1 3.97Å; L416-F909 HydrophobicContact CD2-CE2 3.59Å; L416-F909 HydrophobicContact CD2-CG 4.05Å; L416-F909 HydrophobicContact CD2-CZ 3.7Å |
| 417 | T | 83.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 155 | 175.9 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | K412 G414 K683 L684 | K412-T417 HydrophobicContact CG-CG2 4.33Å; K412-T417 PolarHBondContact O-N 3.35Å; G414-T417 CarbonylContact C-O 3.44Å; G414-T417 VanDerWaalsContact C-O 3.28Å; G414-T417 VanDerWaalsContact CA-O 3.25Å; G414-T417 WeakPolarHBondContact CA-O 3.09Å; G414-T417 PolarHBondContact N-O 2.93Å; T417-K683 CarbonylContact C-O 3.57Å; T417-K683 WeakPolarHBondContact CA-O 3.36Å; T417-L684 HydrophobicContact CG2-CD2 4.09Å |
| 418 | Q | 79.8 | Confident | 87 | Confident | 69 Ų | 69 | 17.6 Ų | 17.6 | 32% | 0.322 | 9% | 0.094 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -2.1 | 171.8 | -61.8 | -179.1 | 19.2 | 0 | 0 | 112.2 | I420 K683 L684 Q685 | Q418-I420 HydrophobicContact CB-CD1 4.27Å; Q418-I420 HydrophobicContact CB-CG1 4.27Å; Q418-I420 PolarHBondContact O-N 3.06Å; Q418-K683 PolarHBondContact N-O 3.42Å; Q418-L684 PolarHBondContact NE2-O 3.42Å; Q418-Q685 HydrophobicContact CG-CB 4.39Å; Q418-Q685 HydrophobicContact CG-CG 3.97Å |
| 419 | N | 75.4 | Confident | 86.7 | Confident | 56 Ų | 56 | 21.3 Ų | 21.3 | 30% | 0.299 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.3 | 35.9 | -169.3 | -157.7 | 5.2 | 0 | 0 | 0 | 112.7 | E894 | N419-E894 PolarHBondContact ND2-OE1 3.28Å |
| 420 | I | 79.3 | Confident | 86.2 | Confident | 79 Ų | 79 | 22 Ų | 22 | 41% | 0.405 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.2 | 177.1 | -59.8 | 173.3 | 0 | 0 | 0 | 108.5 | Q418 T422 K683 | Q418-I420 HydrophobicContact CB-CD1 4.27Å; Q418-I420 HydrophobicContact CB-CG1 4.27Å; Q418-I420 PolarHBondContact O-N 3.06Å; I420-T422 HydrophobicContact CG2-CG2 3.97Å; I420-K683 WeakPolarHBondContact O-CB 3.39Å; I420-K683 PolarHBondContact O-N 3.46Å |
| 421 | M | 83.7 | Confident | 86.1 | Confident | 19 Ų | 19 | 25.6 Ų | 25.6 | 9% | 0.094 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.8 | 172.4 | -58.4 | -60.1 | 164.9 | 0 | 0 | 109.7 | P526 A530 R626 I680 E681 D682 | M421-P526 HydrophobicContact CB-CB 4.14Å; M421-P526 HydrophobicContact CE-CG 4.25Å; M421-P526 HydrophobicContact CG-CB 3.6Å; M421-P526 HydrophobicContact CG-CG 3.77Å; M421-A530 HydrophobicContact CB-CB 4.07Å; M421-A530 WeakPolarHBondContact O-CB 3.4Å; M421-R626 VanDerWaalsContact CE-CZ 3.47Å; M421-I680 HydrophobicContact CB-CG2 3.78Å; M421-E681 WeakPolarHBondContact CA-O 3.31Å; M421-D682 HydrophobicContact CE-CB 4.07Å; M421-D682 VanDerWaalsContact CE-CG 3.47Å; M421-D682 HydrophobicContact SD-CB 3.6Å |
| 422 | T | 86.1 | Confident | 86.1 | Confident | 33 Ų | 33 | 26.5 Ų | 26.5 | 20% | 0.202 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.4 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 112 | I420 N424 I680 E681 K683 | I420-T422 HydrophobicContact CG2-CG2 3.97Å; T422-N424 PolarHBondContact O-N 3.03Å; T422-I680 WeakPolarHBondContact O-CA 3.42Å; T422-E681 PolarHBondContact N-O 3.09Å; T422-E681 PolarHBondContact O-N 3.34Å; T422-K683 HydrophobicContact CG2-CD 3.81Å; T422-K683 VanDerWaalsContact CG2-CE 3.46Å; T422-K683 HydrophobicContact CG2-CG 4.27Å; T422-K683 VanDerWaalsContact OG1-CE 3.23Å; T422-K683 WeakPolarHBondContact OG1-CE 3.48Å |
| 423 | F | 90.9 | Very high | 86.5 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 117 | 169.2 | -178.6 | -92.5 | 0 | 0 | 0 | 109.6 | C426 F479 F481 F500 W501 L531 A534 T678 | F423-C426 HydrophobicContact CE2-CB 4.15Å; F423-C426 HydrophobicContact CZ-CB 3.61Å; F423-F479 HydrophobicContact CB-CE2 4.34Å; F423-F481 HydrophobicContact CD1-CD2 4.26Å; F423-F481 HydrophobicContact CD1-CE2 4.08Å; F423-F481 HydrophobicContact CE1-CD2 4.4Å; F423-F481 AromaticContact CE1-CE2 3.84Å; F423-F481 HydrophobicContact CE1-CE2 3.84Å; F423-F481 HydrophobicContact CE1-CZ 4.49Å; F423-F500 HydrophobicContact CE2-CZ 4.26Å; F423-F500 HydrophobicContact CZ-CE1 4.37Å; F423-F500 HydrophobicContact CZ-CZ 4.23Å; F423-W501 HydrophobicContact CE1-CH2 4.3Å; F423-W501 HydrophobicContact CZ-CH2 4.25Å; F423-L531 HydrophobicContact CD2-CD2 4.06Å; F423-L531 HydrophobicContact CE2-CD2 4.45Å; F423-A534 HydrophobicContact CB-CB 3.75Å; F423-A534 HydrophobicContact CD1-CB 3.98Å; F423-A534 HydrophobicContact CD2-CB 4.22Å; F423-A534 HydrophobicContact CG-CB 3.73Å; F423-T678 HydrophobicContact CE2-CG2 4.11Å |
| 424 | N | 88.8 | Confident | 86.7 | Confident | 45 Ų | 45 | 26 Ų | 26 | 24% | 0.241 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -52.5 | -172.9 | -170 | -43.4 | 0 | 0 | 0 | 111.4 | T422 F481 L625 A679 E681 | T422-N424 PolarHBondContact O-N 3.03Å; N424-F481 VanDerWaalsContact O-CE2 3.31Å; N424-F481 WeakPolarHBondContact O-CE2 3.3Å; N424-L625 HydrophobicContact CB-CD2 4.34Å; N424-A679 PolarHBondContact N-O 3.33Å; N424-E681 HydrophobicContact CB-CB 4.07Å; N424-E681 PolarHBondContact ND2-OE2 3.06Å |
| 425 | K | 92.2 | Very high | 86.3 | Confident | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 162.2 | -178.3 | -51.4 | -177.9 | -178.6 | -178.9 | 0 | 111.3 | Y433 D435 F620 D623 L625 A679 | K425-Y433 WeakPolarHBondContact CA-O 3.33Å; K425-Y433 WeakPolarHBondContact CB-O 3.42Å; K425-D435 WeakPolarHBondContact CE-OD1 3.34Å; K425-D435 IonicContact NZ-OD1 3.51Å; K425-D435 PolarHBondContact NZ-OD1 3.42Å; K425-D435 IonicContact NZ-OD2 2.94Å; K425-F620 HydrophobicContact CB-CD1 4.21Å; K425-F620 HydrophobicContact CB-CE1 3.6Å; K425-F620 HydrophobicContact CB-CZ 3.85Å; K425-F620 HydrophobicContact CD-CD1 3.83Å; K425-F620 HydrophobicContact CD-CE1 3.59Å; K425-F620 HydrophobicContact CG-CE1 4.23Å; K425-D623 IonicContact NZ-OD2 3.23Å; K425-D623 PolarHBondContact NZ-OD2 3.26Å; K425-L625 HydrophobicContact CD-CD1 3.87Å; K425-L625 HydrophobicContact CG-CD1 4.12Å; K425-A679 HydrophobicContact CB-CB 3.96Å; K425-A679 PolarHBondContact N-O 2.96Å; K425-A679 WeakPolarHBondContact O-CA 3.49Å; K425-A679 WeakPolarHBondContact O-CB 3.36Å; K425-A679 PolarHBondContact O-N 2.98Å |
| 426 | C | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 158.5 | 166.5 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | F423 I428 Y433 F500 A677 | F423-C426 HydrophobicContact CE2-CB 4.15Å; F423-C426 HydrophobicContact CZ-CB 3.61Å; C426-I428 HydrophobicContact CB-CG1 4.48Å; C426-Y433 PolarHBondContact N-O 2.96Å; C426-Y433 VanDerWaalsContact N-O 3.11Å; C426-Y433 PolarHBondContact O-N 3.33Å; C426-F500 HydrophobicContact CB-CE2 4.2Å; C426-F500 HydrophobicContact CB-CZ 3.7Å; C426-A677 CarbonylContact C-O 3.57Å; C426-A677 VanDerWaalsContact CA-O 3.24Å; C426-A677 WeakPolarHBondContact CA-O 3.32Å; C426-A677 VanDerWaalsContact CB-O 3.29Å; C426-A677 WeakPolarHBondContact CB-O 3.44Å |
| 427 | S | 94.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.5 | 166.7 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | I431 H616 G676 A677 | S427-I431 CarbonylContact C-O 3.56Å; S427-I431 VanDerWaalsContact CA-O 3.3Å; S427-I431 WeakPolarHBondContact CA-O 3.46Å; S427-H616 PolarHBondContact OG-ND1 3.06Å; S427-G676 CarbonylContact O-C 3.57Å; S427-G676 WeakPolarHBondContact O-CA 3.47Å; S427-A677 PolarHBondContact N-O 3.49Å; S427-A677 PolarHBondContact O-N 2.96Å |
| 428 | I | 93.4 | Very high | 80.3 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.8 | 176.4 | -47.7 | 175.8 | 0 | 0 | 0 | 107.3 | C426 G430 I431 Y433 L486 E496 V497 F500 | C426-I428 HydrophobicContact CB-CG1 4.48Å; I428-G430 VanDerWaalsContact C-N 3.27Å; I428-G430 PolarHBondContact O-N 2.79Å; I428-I431 PolarHBondContact N-O 2.71Å; I428-I431 PolarHBondContact O-N 2.86Å; I428-Y433 HydrophobicContact CB-CD2 4.44Å; I428-Y433 HydrophobicContact CB-CE2 3.9Å; I428-Y433 HydrophobicContact CD1-CD2 4.22Å; I428-Y433 HydrophobicContact CD1-CE2 4.13Å; I428-Y433 HydrophobicContact CG1-CD2 4.14Å; I428-Y433 HydrophobicContact CG1-CE2 4.05Å; I428-L486 HydrophobicContact CD1-CD1 3.68Å; I428-E496 HydrophobicContact CG2-CB 4.27Å; I428-V497 HydrophobicContact CD1-CG1 4.46Å; I428-V497 HydrophobicContact CD1-CG2 4.34Å; I428-V497 HydrophobicContact CG2-CG2 4.19Å; I428-F500 HydrophobicContact CD1-CB 4.13Å; I428-F500 HydrophobicContact CD1-CD1 3.59Å; I428-F500 HydrophobicContact CD1-CD2 4.01Å; I428-F500 HydrophobicContact CD1-CE1 3.9Å; I428-F500 HydrophobicContact CD1-CE2 4.28Å; I428-F500 HydrophobicContact CD1-CG 3.65Å; I428-F500 HydrophobicContact CD1-CZ 4.22Å; I428-F500 HydrophobicContact CG1-CB 4.43Å; I428-F500 HydrophobicContact CG1-CD1 4.23Å; I428-F500 HydrophobicContact CG1-CD2 3.71Å; I428-F500 HydrophobicContact CG1-CE1 4.42Å; I428-F500 HydrophobicContact CG1-CE2 3.91Å; I428-F500 HydrophobicContact CG1-CG 3.88Å; I428-F500 HydrophobicContact CG1-CZ 4.25Å; I428-F500 HydrophobicContact CG2-CB 4.06Å; I428-F500 HydrophobicContact CG2-CD2 4.46Å; I428-F500 HydrophobicContact CG2-CG 4.4Å |
| 429 | N | 88.8 | Confident | 78.5 | Confident | 77 Ų | 77 | 43.9 Ų | 43.9 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 46.3 | -176.9 | -168.6 | 24.1 | 0 | 0 | 0 | 113.2 | I431 E496 I675 | N429-I431 PolarHBondContact O-N 3.18Å; N429-E496 HydrophobicContact CB-CB 4.03Å; N429-E496 HydrophobicContact CB-CG 3.98Å; N429-I675 PolarHBondContact N-O 2.92Å |
| 430 | G | 85.2 | Confident | 76.6 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 5.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I428 H616 | I428-G430 VanDerWaalsContact C-N 3.27Å; I428-G430 PolarHBondContact O-N 2.79Å; G430-H616 PolarHBondContact O-CE1 3.32Å |
| 431 | I | 90.4 | Very high | 74.5 | Confident | 76 Ų | 76 | 51 Ų | 51 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.6 | 176.4 | -57.8 | 172.3 | 0 | 0 | 0 | 110 | S427 I428 N429 Y433 | S427-I431 CarbonylContact C-O 3.56Å; S427-I431 VanDerWaalsContact CA-O 3.3Å; S427-I431 WeakPolarHBondContact CA-O 3.46Å; I428-I431 PolarHBondContact N-O 2.71Å; I428-I431 PolarHBondContact O-N 2.86Å; N429-I431 PolarHBondContact O-N 3.18Å; I431-Y433 HydrophobicContact CB-CE2 3.97Å; I431-Y433 HydrophobicContact CG2-CD2 4.5Å; I431-Y433 HydrophobicContact CG2-CE1 4.18Å; I431-Y433 HydrophobicContact CG2-CE2 3.86Å; I431-Y433 WeakPolarHBondContact O-CD2 3.35Å; I431-Y433 WeakPolarHBondContact O-CE2 3.08Å |
| 432 | M | 90.5 | Very high | 72.2 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 14% | 0.143 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.2 | 177.5 | -166.5 | -165.3 | -47.4 | 0 | 0 | 111.9 | R485 H616 F620 | M432-R485 PolarHBondContact O-NH2 2.81Å; M432-R485 VanDerWaalsContact O-NH2 3.17Å; M432-H616 HydrophobicContact CE-CB 4.49Å; M432-H616 WeakPolarHBondContact CE-CD2 3.26Å; M432-F620 HydrophobicContact CG-CE1 3.97Å; M432-F620 HydrophobicContact CG-CZ 3.94Å; M432-F620 HydrophobicContact SD-CE1 4.12Å |
| 433 | Y | 91.1 | Very high | 69.7 | Low | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 148.8 | 172.5 | -55.9 | -87.8 | 0 | 0 | 0 | 111.1 | K425 C426 I428 I431 D483 R485 L486 D489 | K425-Y433 WeakPolarHBondContact CA-O 3.33Å; K425-Y433 WeakPolarHBondContact CB-O 3.42Å; C426-Y433 PolarHBondContact N-O 2.96Å; C426-Y433 VanDerWaalsContact N-O 3.11Å; C426-Y433 PolarHBondContact O-N 3.33Å; I428-Y433 HydrophobicContact CB-CD2 4.44Å; I428-Y433 HydrophobicContact CB-CE2 3.9Å; I428-Y433 HydrophobicContact CD1-CD2 4.22Å; I428-Y433 HydrophobicContact CD1-CE2 4.13Å; I428-Y433 HydrophobicContact CG1-CD2 4.14Å; I428-Y433 HydrophobicContact CG1-CE2 4.05Å; I431-Y433 HydrophobicContact CB-CE2 3.97Å; I431-Y433 HydrophobicContact CG2-CD2 4.5Å; I431-Y433 HydrophobicContact CG2-CE1 4.18Å; I431-Y433 HydrophobicContact CG2-CE2 3.86Å; I431-Y433 WeakPolarHBondContact O-CD2 3.35Å; I431-Y433 WeakPolarHBondContact O-CE2 3.08Å; Y433-D483 WeakPolarHBondContact CA-OD2 3.38Å; Y433-R485 HydrophobicContact CD1-CB 4.15Å; Y433-R485 HydrophobicContact CE1-CB 4.15Å; Y433-L486 HydrophobicContact CD1-CB 3.67Å; Y433-L486 HydrophobicContact CD1-CD1 4.16Å; Y433-L486 HydrophobicContact CD1-CG 4.45Å; Y433-L486 HydrophobicContact CD2-CD1 4.14Å; Y433-L486 HydrophobicContact CE1-CB 4.29Å; Y433-L486 HydrophobicContact CE1-CD1 4.34Å; Y433-L486 HydrophobicContact CE2-CD1 4.36Å; Y433-L486 HydrophobicContact CG-CB 4.02Å; Y433-L486 HydrophobicContact CG-CD1 4.04Å; Y433-L486 HydrophobicContact CG-CG 4.43Å; Y433-D489 PolarHBondContact OH-OD2 3.4Å |
| 434 | G | 81.5 | Confident | 67.1 | Low | 12 Ų | 12 | 63.8 Ų | 63.8 | 12% | 0.124 | 39% | 0.385 | C | S | . | . | S | Bend | trans | 108.9 | -21.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V436 D483 | G434-V436 PolarHBondContact O-N 3.36Å; G434-D483 PolarHBondContact N-OD2 2.74Å |
| 435 | D | 69.6 | Low | 64.3 | Low | 29 Ų | 29 | 68.5 Ų | 68.5 | 16% | 0.155 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -78.7 | 119.2 | 166.2 | -86.2 | -19.3 | 0 | 0 | 0 | 109.2 | K425 A437 R619 | K425-D435 WeakPolarHBondContact CE-OD1 3.34Å; K425-D435 IonicContact NZ-OD1 3.51Å; K425-D435 PolarHBondContact NZ-OD1 3.42Å; K425-D435 IonicContact NZ-OD2 2.94Å; D435-A437 PolarHBondContact O-N 2.88Å; D435-R619 IonicContact OD2-CZ 3.94Å; D435-R619 IonicContact OD2-NE 3.86Å; D435-R619 PolarHBondContact OD2-NE 3.33Å; D435-R619 IonicContact OD2-NH2 2.66Å; D435-R619 PolarHBondContact OD2-NH2 3.4Å |
| 436 | V | 58.5 | Low | 61.6 | Low | 65 Ų | 65 | 79 Ų | 79 | 39% | 0.394 | 45% | 0.45 | S | S | . | . | trans | -62.2 | 104.2 | 172.5 | -173.1 | 0 | 0 | 0 | 0 | 107.3 | G434 D438 | G434-V436 PolarHBondContact O-N 3.36Å; V436-D438 VanDerWaalsContact C-N 3.29Å; V436-D438 PolarHBondContact O-N 3.2Å | ||
| 437 | A | 39 | Very low | 58.6 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 56% | 0.562 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -69 | 83.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D435 | D435-A437 PolarHBondContact O-N 2.88Š|
| 438 | D | 35.3 | Very low | 55.8 | Low | 127 Ų | 127 | 93.4 Ų | 93.4 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | trans | -142.8 | 8.2 | 161.1 | -93.1 | -26.5 | 0 | 0 | 0 | 112.1 | V436 A440 | V436-D438 VanDerWaalsContact C-N 3.29Å; V436-D438 PolarHBondContact O-N 3.2Å; D438-A440 VanDerWaalsContact C-N 3.33Å; D438-A440 PolarHBondContact O-N 3.37Å | ||
| 439 | K | 41.2 | Very low | 53 | Low | 167 Ų | 167 | 97.4 Ų | 97.4 | 73% | 0.726 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -79.7 | -4.2 | 179 | -76.4 | -173.4 | 177.9 | 175 | 0 | 114.8 | ||
| 440 | A | 36.3 | Very low | 50.8 | Low | 99 Ų | 99 | 98.5 Ų | 98.5 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -118.7 | -12.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | D438 | D438-A440 VanDerWaalsContact C-N 3.33Å; D438-A440 PolarHBondContact O-N 3.37Å |
| 441 | E | 35.3 | Very low | 48.5 | Very low | 185 Ų | 185 | 102.4 Ų | 102.4 | 86% | 0.864 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -109 | 2.7 | -174.3 | -77.9 | -170 | 164.8 | 0 | 0 | 116.1 | G443 | E441-G443 PolarHBondContact O-N 3.19Š|
| 442 | V | 35.3 | Very low | 45.8 | Very low | 142 Ų | 142 | 105 Ų | 105 | 86% | 0.861 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -90.3 | 103.7 | 170.1 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 443 | G | 33.6 | Very low | 43.1 | Very low | 63 Ų | 63 | 106.9 Ų | 106.9 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | trans | -54.9 | 161.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | E441 N445 | E441-G443 PolarHBondContact O-N 3.19Å; G443-N445 PolarHBondContact O-N 2.82Å | ||
| 444 | S | 34.8 | Very low | 40.6 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 85% | 0.846 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -51.3 | 23.2 | 178.9 | -168.4 | 0 | 0 | 0 | 0 | 118.4 | ||
| 445 | N | 31.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 114.9 Ų | 114.9 | 78% | 0.775 | 65% | 0.65 | S | S | * | * | trans | -150.3 | 92.1 | -177.1 | -83.7 | -33.2 | 0 | 0 | 0 | 112 | G443 | G443-N445 PolarHBondContact O-N 2.82Š| ||
| 446 | R | 35.2 | Very low | 36.7 | Very low | 235 Ų | 235 | 120 Ų | 120 | 89% | 0.887 | 67% | 0.668 | S | S | * | * | trans | 164.9 | 105.4 | 140.8 | -91 | 163.3 | -175.7 | -178.4 | 2.1 | 110.8 | Q448 | R446-Q448 PolarHBondContact O-N 3.46Š| ||
| 447 | T | 29.9 | Very low | 35.6 | Very low | 141 Ų | 141 | 120.5 Ų | 120.5 | 87% | 0.865 | 67% | 0.668 | S | S | * | * | trans | -64.8 | 98.1 | 161.9 | 40.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 448 | Q | 35.5 | Very low | 35.6 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | trans | -167.6 | 122.6 | 163.5 | -105.9 | 152.9 | 13.3 | 0 | 0 | 111 | R446 | R446-Q448 PolarHBondContact O-N 3.46Š| ||
| 449 | D | 35.3 | Very low | 35.7 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 45% | 0.449 | 67% | 0.666 | S | S | . | * | trans | 70.2 | 85.3 | 157.3 | -56.3 | -34.7 | 0 | 0 | 0 | 121.9 | F452 C453 Q1179 | D449-F452 HydrophobicContact CB-CB 4.4Å; D449-C453 PolarHBondContact O-N 3.26Å; D449-C453 PolarHBondContact O-SG 3Å; D449-Q1179 PolarHBondContact OD1-NE2 3.49Å | ||
| 450 | V | 42.6 | Very low | 35.4 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 61% | 0.606 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.1 | -22.6 | 175.4 | -170.1 | 0 | 0 | 0 | 0 | 113.9 | C453 I454 | V450-C453 CarbonylContact O-C 3.55Å; V450-C453 WeakPolarHBondContact O-CA 3.33Å; V450-C453 VanDerWaalsContact O-CB 3.31Å; V450-C453 WeakPolarHBondContact O-CB 3.42Å; V450-C453 PolarHBondContact O-N 2.92Å; V450-C453 VanDerWaalsContact O-N 3.12Å; V450-I454 PolarHBondContact O-N 3.06Å |
| 451 | C | 36.9 | Very low | 35.7 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73 | -34.7 | 177 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | C453 I454 S455 | C451-C453 PolarHBondContact O-N 3.45Å; C451-I454 PolarHBondContact O-N 3.18Å; C451-S455 PolarHBondContact O-N 3.35Å; C451-S455 VanDerWaalsContact O-N 3.12Å |
| 452 | F | 32.6 | Very low | 36.1 | Very low | 131 Ų | 131 | 115.9 Ų | 115.9 | 58% | 0.575 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.4 | -34.5 | 167.5 | -161.7 | -105.9 | 0 | 0 | 0 | 110 | D449 R456 | D449-F452 HydrophobicContact CB-CB 4.4Å; F452-R456 HydrophobicContact CD1-CB 4.33Å; F452-R456 HydrophobicContact CE1-CB 4.43Å; F452-R456 HydrophobicContact CE1-CG 4.39Å; F452-R456 WeakPolarHBondContact O-CA 3.11Å; F452-R456 WeakPolarHBondContact O-CB 3.39Å; F452-R456 PolarHBondContact O-N 3.14Å |
| 453 | C | 33.4 | Very low | 36.6 | Very low | 69 Ų | 69 | 112.3 Ų | 112.3 | 47% | 0.466 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.8 | -35 | 172.1 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | D449 V450 C451 L457 | D449-C453 PolarHBondContact O-N 3.26Å; D449-C453 PolarHBondContact O-SG 3Å; V450-C453 CarbonylContact O-C 3.55Å; V450-C453 WeakPolarHBondContact O-CA 3.33Å; V450-C453 VanDerWaalsContact O-CB 3.31Å; V450-C453 WeakPolarHBondContact O-CB 3.42Å; V450-C453 PolarHBondContact O-N 2.92Å; V450-C453 VanDerWaalsContact O-N 3.12Å; C451-C453 PolarHBondContact O-N 3.45Å; C453-L457 VanDerWaalsContact O-CA 3.29Å; C453-L457 WeakPolarHBondContact O-CA 3.46Å; C453-L457 WeakPolarHBondContact O-CB 3.43Å; C453-L457 PolarHBondContact O-N 3.44Å |
| 454 | I | 39.5 | Very low | 37.6 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 59% | 0.585 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.3 | -41.8 | 177.5 | -64.8 | 172.6 | 0 | 0 | 0 | 111 | V450 C451 L457 F458 | V450-I454 PolarHBondContact O-N 3.06Å; C451-I454 PolarHBondContact O-N 3.18Å; I454-L457 PolarHBondContact O-N 3.11Å; I454-F458 VanDerWaalsContact O-CB 3.23Å; I454-F458 WeakPolarHBondContact O-CB 3.48Å; I454-F458 PolarHBondContact O-N 3.26Å |
| 455 | S | 36 | Very low | 39 | Very low | 70 Ų | 70 | 113.1 Ų | 113.1 | 49% | 0.49 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.4 | -36 | 175.7 | -141.8 | 0 | 0 | 0 | 0 | 111.4 | C451 F458 I459 | C451-S455 PolarHBondContact O-N 3.35Å; C451-S455 VanDerWaalsContact O-N 3.12Å; S455-F458 PolarHBondContact O-N 3.49Å; S455-I459 VanDerWaalsContact O-CB 3.27Å; S455-I459 WeakPolarHBondContact O-CB 3.34Å; S455-I459 VanDerWaalsContact O-CD1 3.31Å; S455-I459 WeakPolarHBondContact O-CD1 3.38Å; S455-I459 WeakPolarHBondContact O-CG1 3.26Å; S455-I459 PolarHBondContact O-N 3.3Å |
| 456 | R | 32.2 | Very low | 40.9 | Very low | 137 Ų | 137 | 109.2 Ų | 109.2 | 52% | 0.517 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -76.2 | -28 | 175.1 | -161.9 | -179 | -164.5 | -179.2 | -1.2 | 112.2 | F452 M460 | F452-R456 HydrophobicContact CD1-CB 4.33Å; F452-R456 HydrophobicContact CE1-CB 4.43Å; F452-R456 HydrophobicContact CE1-CG 4.39Å; F452-R456 WeakPolarHBondContact O-CA 3.11Å; F452-R456 WeakPolarHBondContact O-CB 3.39Å; F452-R456 PolarHBondContact O-N 3.14Å; R456-M460 HydrophobicContact CG-CE 4.28Å; R456-M460 WeakPolarHBondContact O-CA 3.24Å; R456-M460 WeakPolarHBondContact O-CB 3.49Å; R456-M460 WeakPolarHBondContact O-CG 3.38Å; R456-M460 PolarHBondContact O-N 3.43Å |
| 457 | L | 36.4 | Very low | 43.1 | Very low | 75 Ų | 75 | 98.7 Ų | 98.7 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -75.7 | -36.4 | 171 | -172.5 | 75.4 | 0 | 0 | 0 | 109.6 | C453 I454 M460 L461 | C453-L457 VanDerWaalsContact O-CA 3.29Å; C453-L457 WeakPolarHBondContact O-CA 3.46Å; C453-L457 WeakPolarHBondContact O-CB 3.43Å; C453-L457 PolarHBondContact O-N 3.44Å; I454-L457 PolarHBondContact O-N 3.11Å; L457-M460 PolarHBondContact O-N 3.15Å; L457-L461 HydrophobicContact CD1-CD1 4.39Å; L457-L461 HydrophobicContact CD2-CD1 4.21Å; L457-L461 HydrophobicContact CG-CD1 3.7Å; L457-L461 HydrophobicContact CG-CG 4.25Å; L457-L461 WeakPolarHBondContact O-CA 3.44Å; L457-L461 WeakPolarHBondContact O-CB 3.49Å; L457-L461 VanDerWaalsContact O-CD1 3.32Å; L457-L461 WeakPolarHBondContact O-CD1 3.39Å; L457-L461 WeakPolarHBondContact O-CG 3.24Å; L457-L461 PolarHBondContact O-N 3.06Å |
| 458 | F | 38.4 | Very low | 45.4 | Very low | 148 Ų | 148 | 100.8 Ų | 100.8 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68 | -40.4 | 170.7 | -161.5 | -93.6 | 0 | 0 | 0 | 110.7 | I454 S455 S462 | I454-F458 VanDerWaalsContact O-CB 3.23Å; I454-F458 WeakPolarHBondContact O-CB 3.48Å; I454-F458 PolarHBondContact O-N 3.26Å; S455-F458 PolarHBondContact O-N 3.49Å; F458-S462 WeakPolarHBondContact O-CB 3.35Å; F458-S462 PolarHBondContact O-N 3.34Å; F458-S462 PolarHBondContact O-OG 3.32Å |
| 459 | I | 37.6 | Very low | 47.5 | Very low | 109 Ų | 109 | 94.3 Ų | 94.3 | 56% | 0.559 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -38.5 | 172.8 | -69.6 | 162 | 0 | 0 | 0 | 110.9 | S455 S462 A463 | S455-I459 VanDerWaalsContact O-CB 3.27Å; S455-I459 WeakPolarHBondContact O-CB 3.34Å; S455-I459 VanDerWaalsContact O-CD1 3.31Å; S455-I459 WeakPolarHBondContact O-CD1 3.38Å; S455-I459 WeakPolarHBondContact O-CG1 3.26Å; S455-I459 PolarHBondContact O-N 3.3Å; I459-S462 CarbonylContact O-C 3.5Å; I459-S462 PolarHBondContact O-N 2.93Å; I459-A463 WeakPolarHBondContact O-CB 3.21Å; I459-A463 PolarHBondContact O-N 2.78Å |
| 460 | M | 34.9 | Very low | 49.3 | Very low | 106 Ų | 106 | 95 Ų | 95 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.8 | -40 | 177.9 | -81.4 | -175.8 | -178.6 | 0 | 0 | 112.5 | R456 L457 S462 A463 S464 | R456-M460 HydrophobicContact CG-CE 4.28Å; R456-M460 WeakPolarHBondContact O-CA 3.24Å; R456-M460 WeakPolarHBondContact O-CB 3.49Å; R456-M460 WeakPolarHBondContact O-CG 3.38Å; R456-M460 PolarHBondContact O-N 3.43Å; L457-M460 PolarHBondContact O-N 3.15Å; M460-S462 VanDerWaalsContact C-N 3.28Å; M460-A463 CarbonylContact O-C 3.5Å; M460-A463 WeakPolarHBondContact O-CA 3.5Å; M460-A463 WeakPolarHBondContact O-CB 3.41Å; M460-A463 PolarHBondContact O-N 3.46Å; M460-S464 PolarHBondContact O-N 2.97Å |
| 461 | L | 43.4 | Very low | 50.9 | Low | 99 Ų | 99 | 96.3 Ų | 96.3 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -33.7 | 171.2 | -75.2 | 161.7 | 0 | 0 | 0 | 110.7 | L457 A463 S464 | L457-L461 HydrophobicContact CD1-CD1 4.39Å; L457-L461 HydrophobicContact CD2-CD1 4.21Å; L457-L461 HydrophobicContact CG-CD1 3.7Å; L457-L461 HydrophobicContact CG-CG 4.25Å; L457-L461 WeakPolarHBondContact O-CA 3.44Å; L457-L461 WeakPolarHBondContact O-CB 3.49Å; L457-L461 VanDerWaalsContact O-CD1 3.32Å; L457-L461 WeakPolarHBondContact O-CD1 3.39Å; L457-L461 WeakPolarHBondContact O-CG 3.24Å; L457-L461 PolarHBondContact O-N 3.06Å; L461-A463 VanDerWaalsContact C-N 3.3Å; L461-S464 PolarHBondContact O-OG 2.83Å; L461-S464 VanDerWaalsContact O-OG 3.09Å |
| 462 | S | 43.3 | Very low | 53 | Low | 86 Ų | 86 | 93 Ų | 93 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.4 | -19.3 | 169.2 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | F458 I459 M460 | F458-S462 WeakPolarHBondContact O-CB 3.35Å; F458-S462 PolarHBondContact O-N 3.34Å; F458-S462 PolarHBondContact O-OG 3.32Å; I459-S462 CarbonylContact O-C 3.5Å; I459-S462 PolarHBondContact O-N 2.93Å; M460-S462 VanDerWaalsContact C-N 3.28Å |
| 463 | A | 44.9 | Very low | 55.4 | Low | 68 Ų | 68 | 95.5 Ų | 95.5 | 56% | 0.562 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -89.5 | -22.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I459 M460 L461 K465 | I459-A463 WeakPolarHBondContact O-CB 3.21Å; I459-A463 PolarHBondContact O-N 2.78Å; M460-A463 CarbonylContact O-C 3.5Å; M460-A463 WeakPolarHBondContact O-CA 3.5Å; M460-A463 WeakPolarHBondContact O-CB 3.41Å; M460-A463 PolarHBondContact O-N 3.46Å; L461-A463 VanDerWaalsContact C-N 3.3Å; A463-K465 PolarHBondContact O-N 2.91Å |
| 464 | S | 55.3 | Low | 57.8 | Low | 30 Ų | 30 | 94.1 Ų | 94.1 | 21% | 0.21 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -70.8 | 98.4 | 172.9 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | M460 L461 Y482 | M460-S464 PolarHBondContact O-N 2.97Å; L461-S464 PolarHBondContact O-OG 2.83Å; L461-S464 VanDerWaalsContact O-OG 3.09Å; S464-Y482 WeakPolarHBondContact O-CD1 3.46Å; S464-Y482 WeakPolarHBondContact O-CE1 3.45Å |
| 465 | K | 63.6 | Low | 59.7 | Low | 170 Ų | 170 | 90 Ų | 90 | 74% | 0.739 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 129.3 | 176.2 | -69.6 | -179.5 | -179 | 175.3 | 0 | 109.5 | A463 | A463-K465 PolarHBondContact O-N 2.91Š|
| 466 | P | 72.6 | Confident | 61.8 | Low | 63 Ų | 63 | 88.6 Ų | 88.6 | 41% | 0.409 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 152.9 | 177.8 | 29 | -36.5 | 0 | 0 | 0 | 110.8 | K468 V480 Y482 | P466-K468 PolarHBondContact O-N 2.57Å; P466-V480 HydrophobicContact CB-CG1 3.73Å; P466-Y482 HydrophobicContact CB-CD1 4.45Å; P466-Y482 HydrophobicContact CB-CE1 4.24Å |
| 467 | I | 80.4 | Confident | 63.8 | Low | 14 Ų | 14 | 88.5 Ų | 88.5 | 7% | 0.072 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 126.4 | 175.9 | -63.7 | 175.8 | 0 | 0 | 0 | 109 | F469 F481 D483 R484 L487 | I467-F469 HydrophobicContact CB-CE2 4.05Å; I467-F469 HydrophobicContact CB-CZ 4.18Å; I467-F469 HydrophobicContact CG2-CD1 4.28Å; I467-F469 HydrophobicContact CG2-CD2 4.21Å; I467-F469 HydrophobicContact CG2-CE1 4.03Å; I467-F469 HydrophobicContact CG2-CE2 3.93Å; I467-F469 HydrophobicContact CG2-CG 4.37Å; I467-F469 HydrophobicContact CG2-CZ 3.83Å; I467-F481 WeakPolarHBondContact CB-O 3.33Å; I467-F481 HydrophobicContact CD1-CD1 3.91Å; I467-F481 WeakPolarHBondContact CG1-O 3.46Å; I467-F481 PolarHBondContact N-O 2.81Å; I467-D483 WeakPolarHBondContact CD1-O 3.11Å; I467-R484 HydrophobicContact CD1-CG 4.26Å; I467-R484 HydrophobicContact CG1-CG 4.05Å; I467-L487 HydrophobicContact CD1-CB 4.25Å; I467-L487 HydrophobicContact CG2-CD2 3.69Å |
| 468 | K | 77.9 | Confident | 65.7 | Low | 185 Ų | 185 | 94.2 Ų | 94.2 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | trans | -87.5 | 111.2 | 170 | -66.7 | -173 | 177.9 | -175.2 | 0 | 108.6 | P466 S470 | P466-K468 PolarHBondContact O-N 2.57Å; K468-S470 PolarHBondContact O-N 3.39Å; K468-S470 VanDerWaalsContact O-N 3.08Å | ||
| 469 | F | 80.4 | Confident | 67.8 | Low | 26 Ų | 26 | 88.6 Ų | 88.6 | 11% | 0.114 | 47% | 0.465 | C | S | . | . | trans | -82.2 | 41.3 | 176.3 | -64.6 | -86 | 0 | 0 | 0 | 112.3 | I467 D471 N472 A475 F479 F481 L487 C537 F538 | I467-F469 HydrophobicContact CB-CE2 4.05Å; I467-F469 HydrophobicContact CB-CZ 4.18Å; I467-F469 HydrophobicContact CG2-CD1 4.28Å; I467-F469 HydrophobicContact CG2-CD2 4.21Å; I467-F469 HydrophobicContact CG2-CE1 4.03Å; I467-F469 HydrophobicContact CG2-CE2 3.93Å; I467-F469 HydrophobicContact CG2-CG 4.37Å; I467-F469 HydrophobicContact CG2-CZ 3.83Å; F469-D471 PolarHBondContact O-N 3.13Å; F469-N472 PolarHBondContact O-N 3.23Å; F469-A475 HydrophobicContact CB-CB 3.64Å; F469-A475 WeakPolarHBondContact O-CB 3.3Å; F469-F479 HydrophobicContact CD2-CD1 4.25Å; F469-F479 AromaticContact CE2-CD1 3.61Å; F469-F479 HydrophobicContact CE2-CD1 3.61Å; F469-F479 AromaticContact CE2-CE1 3.73Å; F469-F479 HydrophobicContact CE2-CE1 3.73Å; F469-F479 HydrophobicContact CZ-CD1 4.08Å; F469-F479 AromaticContact CZ-CE1 3.74Å; F469-F479 HydrophobicContact CZ-CE1 3.74Å; F469-F481 HydrophobicContact CZ-CB 4.39Å; F469-L487 HydrophobicContact CD1-CD1 4.48Å; F469-L487 HydrophobicContact CE1-CD1 4.18Å; F469-C537 HydrophobicContact CD1-CB 4.41Å; F469-C537 WeakPolarHBondContact CD1-O 3.45Å; F469-C537 HydrophobicContact CE1-CB 4.41Å; F469-C537 HydrophobicContact CG-CB 4.49Å; F469-F538 HydrophobicContact CE1-CD1 4.1Å; F469-F538 HydrophobicContact CE1-CD2 4.46Å; F469-F538 HydrophobicContact CE1-CE1 4.02Å; F469-F538 HydrophobicContact CE1-CE2 4.4Å; F469-F538 HydrophobicContact CE1-CG 4.32Å; F469-F538 HydrophobicContact CE1-CZ 4.18Å; F469-F538 HydrophobicContact CZ-CE1 4.25Å; F469-F538 HydrophobicContact CZ-CE2 4.16Å; F469-F538 AromaticContact CZ-CZ 3.97Å; F469-F538 HydrophobicContact CZ-CZ 3.97Å | ||
| 470 | S | 73.2 | Confident | 69.9 | Low | 100 Ų | 100 | 86.3 Ų | 86.3 | 70% | 0.699 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.3 | -174 | 46.8 | 0 | 0 | 0 | 0 | 114 | K468 N472 | K468-S470 PolarHBondContact O-N 3.39Å; K468-S470 VanDerWaalsContact O-N 3.08Å; S470-N472 PolarHBondContact O-N 2.9Å |
| 471 | D | 74.9 | Confident | 72.2 | Confident | 126 Ų | 126 | 81.5 Ų | 81.5 | 67% | 0.674 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -17 | -177.3 | -53 | -17.8 | 0 | 0 | 0 | 112.5 | F469 K491 | F469-D471 PolarHBondContact O-N 3.13Å; D471-K491 IonicContact OD2-NZ 3.14Å; D471-K491 PolarHBondContact OD2-NZ 3.26Å |
| 472 | N | 81.7 | Confident | 74.1 | Confident | 28 Ų | 28 | 82 Ų | 82 | 15% | 0.15 | 43% | 0.428 | C | S | . | . | trans | -104.3 | 110.3 | -175.6 | 178.8 | 0.7 | 0 | 0 | 0 | 110.6 | F469 S470 W474 A475 R536 C537 | F469-N472 PolarHBondContact O-N 3.23Å; S470-N472 PolarHBondContact O-N 2.9Å; N472-W474 PolarHBondContact O-N 2.79Å; N472-W474 VanDerWaalsContact O-N 3.08Å; N472-W474 PolarHBondContact OD1-N 3.44Å; N472-A475 HydrophobicContact CB-CB 4.19Å; N472-A475 VanDerWaalsContact O-CB 3.26Å; N472-A475 WeakPolarHBondContact O-CB 3.44Å; N472-A475 PolarHBondContact O-N 2.73Å; N472-R536 PolarHBondContact ND2-O 3.08Å; N472-C537 PolarHBondContact ND2-O 2.89Å | ||
| 473 | R | 83.1 | Confident | 76.1 | Confident | 182 Ų | 182 | 78.3 Ų | 78.3 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.9 | 179 | 67.9 | -178.7 | 175.9 | 166 | 3.9 | 114 | E553 | R473-E553 IonicContact CZ-OE1 3.46Å; R473-E553 IonicContact CZ-OE2 2.81Å; R473-E553 IonicContact NE-OE1 3.59Å; R473-E553 PolarHBondContact NE-OE1 3Å; R473-E553 IonicContact NE-OE2 2.74Å; R473-E553 VanDerWaalsContact NH2-CD 3.26Å; R473-E553 IonicContact NH2-OE1 2.71Å; R473-E553 PolarHBondContact NH2-OE1 2.84Å; R473-E553 IonicContact NH2-OE2 3.73Å; R473-E553 PolarHBondContact NH2-OE2 3.2Å |
| 474 | W | 83.1 | Confident | 78 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 0 | -178.2 | -60 | 119.2 | 0 | 0 | 0 | 113 | N472 I476 M514 L519 R536 V541 L543 E553 | N472-W474 PolarHBondContact O-N 2.79Å; N472-W474 VanDerWaalsContact O-N 3.08Å; N472-W474 PolarHBondContact OD1-N 3.44Å; W474-I476 PolarHBondContact O-N 3.37Å; W474-M514 HydrophobicContact CH2-CE 3.65Å; W474-M514 HydrophobicContact CZ3-CE 3.75Å; W474-M514 HydrophobicContact CZ3-SD 4.35Å; W474-L519 HydrophobicContact CD2-CD2 4.41Å; W474-L519 HydrophobicContact CE3-CB 3.8Å; W474-L519 HydrophobicContact CE3-CD2 4.25Å; W474-L519 HydrophobicContact CZ3-CB 3.83Å; W474-R536 HydrophobicContact CB-CG 4.3Å; W474-R536 VanDerWaalsContact O-CZ 3.24Å; W474-R536 PolarHBondContact O-NE 2.84Å; W474-R536 PolarHBondContact O-NH2 3.13Å; W474-V541 HydrophobicContact CB-CG1 4.11Å; W474-V541 HydrophobicContact CB-CG2 4Å; W474-V541 HydrophobicContact CG-CG1 3.96Å; W474-V541 HydrophobicContact CG-CG2 4.19Å; W474-L543 HydrophobicContact CZ2-CD2 4.47Å; W474-E553 PolarHBondContact NE1-OE1 3.34Å; W474-E553 PolarHBondContact NE1-OE2 3.17Å |
| 475 | A | 79.3 | Confident | 79.5 | Confident | 27 Ų | 27 | 86.7 Ų | 86.7 | 22% | 0.223 | 41% | 0.414 | C | S | . | . | trans | -57.1 | 139.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F469 N472 P477 | F469-A475 HydrophobicContact CB-CB 3.64Å; F469-A475 WeakPolarHBondContact O-CB 3.3Å; N472-A475 HydrophobicContact CB-CB 4.19Å; N472-A475 VanDerWaalsContact O-CB 3.26Å; N472-A475 WeakPolarHBondContact O-CB 3.44Å; N472-A475 PolarHBondContact O-N 2.73Å; A475-P477 WeakPolarHBondContact O-CD 3.31Å | ||
| 476 | I | 80.2 | Confident | 80.8 | Confident | 41 Ų | 41 | 78.6 Ų | 78.6 | 21% | 0.21 | 38% | 0.379 | C | S | . | . | trans | -90.6 | 120 | 179.8 | -59.4 | 167.1 | 0 | 0 | 0 | 108.2 | W474 K478 F479 C533 | W474-I476 PolarHBondContact O-N 3.37Å; I476-K478 HydrophobicContact CG2-CB 4.25Å; I476-K478 PolarHBondContact O-N 3.01Å; I476-F479 HydrophobicContact CB-CB 4.27Å; I476-F479 WeakPolarHBondContact O-CB 3.42Å; I476-F479 PolarHBondContact O-N 2.94Å; I476-C533 HydrophobicContact CD1-CB 3.67Å; I476-C533 WeakPolarHBondContact CD1-SG 3.46Å | ||
| 477 | P | 74.4 | Confident | 81.5 | Confident | 135 Ų | 135 | 77.1 Ų | 77.1 | 88% | 0.877 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.8 | -177.1 | -26.3 | 34.5 | 0 | 0 | 0 | 114.6 | A475 | A475-P477 WeakPolarHBondContact O-CD 3.31Š|
| 478 | K | 76.6 | Confident | 81.8 | Confident | 195 Ų | 195 | 80.2 Ų | 80.2 | 85% | 0.848 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.5 | 179.3 | -64.6 | -175.3 | 178.3 | -178.3 | 0 | 113.7 | I476 | I476-K478 HydrophobicContact CG2-CB 4.25Å; I476-K478 PolarHBondContact O-N 3.01Å |
| 479 | F | 82.8 | Confident | 82.5 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | trans | -77.8 | 128 | 179.6 | -179 | -99 | 0 | 0 | 0 | 110.1 | F423 F469 I476 F481 A534 C537 F538 | F423-F479 HydrophobicContact CB-CE2 4.34Å; F469-F479 HydrophobicContact CD2-CD1 4.25Å; F469-F479 AromaticContact CE2-CD1 3.61Å; F469-F479 HydrophobicContact CE2-CD1 3.61Å; F469-F479 AromaticContact CE2-CE1 3.73Å; F469-F479 HydrophobicContact CE2-CE1 3.73Å; F469-F479 HydrophobicContact CZ-CD1 4.08Å; F469-F479 AromaticContact CZ-CE1 3.74Å; F469-F479 HydrophobicContact CZ-CE1 3.74Å; I476-F479 HydrophobicContact CB-CB 4.27Å; I476-F479 WeakPolarHBondContact O-CB 3.42Å; I476-F479 PolarHBondContact O-N 2.94Å; F479-F481 HydrophobicContact CE1-CB 3.81Å; F479-F481 HydrophobicContact CZ-CB 4.15Å; F479-A534 HydrophobicContact CE2-CB 3.78Å; F479-A534 HydrophobicContact CZ-CB 3.94Å; F479-C537 VanDerWaalsContact CB-SG 3.58Å; F479-C537 HydrophobicContact CD1-CB 3.57Å; F479-C537 HydrophobicContact CE1-CB 3.84Å; F479-C537 HydrophobicContact CG-CB 4.12Å; F479-C537 VanDerWaalsContact CG-SG 3.58Å; F479-F538 AromaticContact CE1-CE2 3.99Å; F479-F538 HydrophobicContact CE1-CE2 3.99Å; F479-F538 HydrophobicContact CZ-CE2 4.04Å | ||
| 480 | V | 81 | Confident | 82.9 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 38% | 0.376 | 35% | 0.349 | S | S | . | . | trans | -126.4 | 122.4 | -176.3 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | P466 Y482 | P466-V480 HydrophobicContact CB-CG1 3.73Å; V480-Y482 HydrophobicContact CG1-CE1 4.16Å; V480-Y482 HydrophobicContact CG1-CE2 3.79Å | ||
| 481 | F | 84.9 | Confident | 83.6 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | trans | -138.9 | 141.7 | 172.7 | -164.4 | -101.3 | 0 | 0 | 0 | 109 | F423 N424 I467 F469 F479 D483 L486 F538 | F423-F481 HydrophobicContact CD1-CD2 4.26Å; F423-F481 HydrophobicContact CD1-CE2 4.08Å; F423-F481 HydrophobicContact CE1-CD2 4.4Å; F423-F481 AromaticContact CE1-CE2 3.84Å; F423-F481 HydrophobicContact CE1-CE2 3.84Å; F423-F481 HydrophobicContact CE1-CZ 4.49Å; N424-F481 VanDerWaalsContact O-CE2 3.31Å; N424-F481 WeakPolarHBondContact O-CE2 3.3Å; I467-F481 WeakPolarHBondContact CB-O 3.33Å; I467-F481 HydrophobicContact CD1-CD1 3.91Å; I467-F481 WeakPolarHBondContact CG1-O 3.46Å; I467-F481 PolarHBondContact N-O 2.81Å; F469-F481 HydrophobicContact CZ-CB 4.39Å; F479-F481 HydrophobicContact CE1-CB 3.81Å; F479-F481 HydrophobicContact CZ-CB 4.15Å; F481-D483 HydrophobicContact CD1-CB 4.45Å; F481-D483 HydrophobicContact CE1-CB 3.71Å; F481-D483 VanDerWaalsContact CE1-O 3.25Å; F481-D483 WeakPolarHBondContact CE1-O 3.33Å; F481-D483 HydrophobicContact CZ-CB 4.17Å; F481-L486 HydrophobicContact CE1-CB 3.95Å; F481-L486 HydrophobicContact CE1-CD2 3.77Å; F481-L486 HydrophobicContact CE1-CG 4.47Å; F481-L486 HydrophobicContact CE2-CD2 4.47Å; F481-L486 HydrophobicContact CZ-CB 4.44Å; F481-L486 HydrophobicContact CZ-CD2 3.63Å; F481-F538 HydrophobicContact CB-CZ 4.49Å; F481-F538 HydrophobicContact CD1-CE2 4.44Å; F481-F538 AromaticContact CD1-CZ 3.67Å; F481-F538 HydrophobicContact CD1-CZ 3.67Å; F481-F538 AromaticContact CE1-CZ 3.97Å; F481-F538 HydrophobicContact CE1-CZ 3.97Å; F481-F538 HydrophobicContact CG-CE2 4.42Å; F481-F538 HydrophobicContact CG-CZ 4.06Å | ||
| 482 | Y | 81.8 | Confident | 84.3 | Confident | 110 Ų | 110 | 72 Ų | 72 | 43% | 0.431 | 34% | 0.337 | S | S | . | . | trans | -106.1 | -35 | -170.5 | -61.5 | -84.3 | 0 | 0 | 0 | 113.2 | S464 P466 V480 R484 | S464-Y482 WeakPolarHBondContact O-CD1 3.46Å; S464-Y482 WeakPolarHBondContact O-CE1 3.45Å; P466-Y482 HydrophobicContact CB-CD1 4.45Å; P466-Y482 HydrophobicContact CB-CE1 4.24Å; V480-Y482 HydrophobicContact CG1-CE1 4.16Å; V480-Y482 HydrophobicContact CG1-CE2 3.79Å; Y482-R484 PolarHBondContact O-N 2.82Å | ||
| 483 | D | 84.9 | Confident | 84.6 | Confident | 9 Ų | 9 | 76.9 Ų | 76.9 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | trans | -77.7 | 106.2 | -172.5 | -172.7 | -6.1 | 0 | 0 | 0 | 112.3 | Y433 G434 I467 F481 R485 | Y433-D483 WeakPolarHBondContact CA-OD2 3.38Å; G434-D483 PolarHBondContact N-OD2 2.74Å; I467-D483 WeakPolarHBondContact CD1-O 3.11Å; F481-D483 HydrophobicContact CD1-CB 4.45Å; F481-D483 HydrophobicContact CE1-CB 3.71Å; F481-D483 VanDerWaalsContact CE1-O 3.25Å; F481-D483 WeakPolarHBondContact CE1-O 3.33Å; F481-D483 HydrophobicContact CZ-CB 4.17Å; D483-R485 PolarHBondContact O-N 3.02Å; D483-R485 VanDerWaalsContact OD1-CB 3.27Å; D483-R485 WeakPolarHBondContact OD1-CB 3.43Å; D483-R485 WeakPolarHBondContact OD1-CG 3.47Å; D483-R485 IonicContact OD1-CZ 2.82Å; D483-R485 PolarHBondContact OD1-N 3.49Å; D483-R485 IonicContact OD1-NE 3.03Å; D483-R485 PolarHBondContact OD1-NE 3.2Å; D483-R485 IonicContact OD1-NH2 3.43Å; D483-R485 IonicContact OD2-CZ 3.22Å; D483-R485 IonicContact OD2-NE 3.26Å; D483-R485 PolarHBondContact OD2-NE 3.35Å; D483-R485 IonicContact OD2-NH2 3.83Å; D483-R485 PolarHBondContact OD2-NH2 3.39Å | ||
| 484 | R | 85 | Confident | 84.9 | Confident | 169 Ų | 169 | 72.7 Ų | 72.7 | 64% | 0.638 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.3 | -21.5 | -179.1 | -70.2 | -176.3 | 178.6 | -168.6 | -0.2 | 113.6 | I467 Y482 L486 L487 V488 | I467-R484 HydrophobicContact CD1-CG 4.26Å; I467-R484 HydrophobicContact CG1-CG 4.05Å; Y482-R484 PolarHBondContact O-N 2.82Å; R484-L486 VanDerWaalsContact C-N 3.28Å; R484-L486 PolarHBondContact O-N 2.83Å; R484-L487 PolarHBondContact O-N 3.19Å; R484-L487 VanDerWaalsContact O-N 3.16Å; R484-V488 WeakPolarHBondContact O-CG2 3.43Å; R484-V488 PolarHBondContact O-N 3.12Å |
| 485 | R | 88.3 | Confident | 85.2 | Confident | 104 Ų | 104 | 75.5 Ų | 75.5 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | -177.3 | -62.9 | 175.9 | -64.7 | 164.3 | 8.5 | 111.3 | M432 Y433 D483 L487 V488 D489 | M432-R485 PolarHBondContact O-NH2 2.81Å; M432-R485 VanDerWaalsContact O-NH2 3.17Å; Y433-R485 HydrophobicContact CD1-CB 4.15Å; Y433-R485 HydrophobicContact CE1-CB 4.15Å; D483-R485 PolarHBondContact O-N 3.02Å; D483-R485 VanDerWaalsContact OD1-CB 3.27Å; D483-R485 WeakPolarHBondContact OD1-CB 3.43Å; D483-R485 WeakPolarHBondContact OD1-CG 3.47Å; D483-R485 IonicContact OD1-CZ 2.82Å; D483-R485 PolarHBondContact OD1-N 3.49Å; D483-R485 IonicContact OD1-NE 3.03Å; D483-R485 PolarHBondContact OD1-NE 3.2Å; D483-R485 IonicContact OD1-NH2 3.43Å; D483-R485 IonicContact OD2-CZ 3.22Å; D483-R485 IonicContact OD2-NE 3.26Å; D483-R485 PolarHBondContact OD2-NE 3.35Å; D483-R485 IonicContact OD2-NH2 3.83Å; D483-R485 PolarHBondContact OD2-NH2 3.39Å; R485-L487 PolarHBondContact O-N 3.01Å; R485-V488 PolarHBondContact O-N 2.9Å; R485-D489 WeakPolarHBondContact O-CB 3.49Å; R485-D489 PolarHBondContact O-N 2.74Å |
| 486 | L | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.9 | -174.7 | 57.5 | 0 | 0 | 0 | 112.1 | I428 Y433 F481 R484 D489 T490 V497 W501 F538 | I428-L486 HydrophobicContact CD1-CD1 3.68Å; Y433-L486 HydrophobicContact CD1-CB 3.67Å; Y433-L486 HydrophobicContact CD1-CD1 4.16Å; Y433-L486 HydrophobicContact CD1-CG 4.45Å; Y433-L486 HydrophobicContact CD2-CD1 4.14Å; Y433-L486 HydrophobicContact CE1-CB 4.29Å; Y433-L486 HydrophobicContact CE1-CD1 4.34Å; Y433-L486 HydrophobicContact CE2-CD1 4.36Å; Y433-L486 HydrophobicContact CG-CB 4.02Å; Y433-L486 HydrophobicContact CG-CD1 4.04Å; Y433-L486 HydrophobicContact CG-CG 4.43Å; F481-L486 HydrophobicContact CE1-CB 3.95Å; F481-L486 HydrophobicContact CE1-CD2 3.77Å; F481-L486 HydrophobicContact CE1-CG 4.47Å; F481-L486 HydrophobicContact CE2-CD2 4.47Å; F481-L486 HydrophobicContact CZ-CB 4.44Å; F481-L486 HydrophobicContact CZ-CD2 3.63Å; R484-L486 VanDerWaalsContact C-N 3.28Å; R484-L486 PolarHBondContact O-N 2.83Å; L486-D489 PolarHBondContact O-N 2.78Å; L486-T490 VanDerWaalsContact O-CB 3.28Å; L486-T490 WeakPolarHBondContact O-CB 3.42Å; L486-T490 PolarHBondContact O-N 3.46Å; L486-T490 PolarHBondContact O-OG1 3.2Å; L486-V497 HydrophobicContact CD1-CG1 4.27Å; L486-W501 HydrophobicContact CD1-CZ2 4.17Å; L486-W501 HydrophobicContact CD2-CH2 4.18Å; L486-W501 HydrophobicContact CD2-CZ2 3.74Å; L486-W501 HydrophobicContact CG-CZ2 3.99Å; L486-F538 HydrophobicContact CB-CE1 4.31Å; L486-F538 HydrophobicContact CD2-CE1 4.13Å; L486-F538 HydrophobicContact CD2-CE2 4.24Å; L486-F538 HydrophobicContact CD2-CZ 3.78Å; L486-F538 HydrophobicContact CG-CE1 3.91Å; L486-F538 HydrophobicContact CG-CZ 4.09Å |
| 487 | L | 87.2 | Confident | 86.3 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 176.4 | -179.3 | 67.8 | 0 | 0 | 0 | 111.1 | I467 F469 R484 R485 T490 K491 F538 | I467-L487 HydrophobicContact CD1-CB 4.25Å; I467-L487 HydrophobicContact CG2-CD2 3.69Å; F469-L487 HydrophobicContact CD1-CD1 4.48Å; F469-L487 HydrophobicContact CE1-CD1 4.18Å; R484-L487 PolarHBondContact O-N 3.19Å; R484-L487 VanDerWaalsContact O-N 3.16Å; R485-L487 PolarHBondContact O-N 3.01Å; L487-T490 PolarHBondContact O-N 2.69Å; L487-K491 HydrophobicContact CD1-CG 4.48Å; L487-K491 HydrophobicContact CG-CD 4.45Å; L487-K491 WeakPolarHBondContact O-CB 3.42Å; L487-K491 WeakPolarHBondContact O-CG 3.33Å; L487-K491 PolarHBondContact O-N 3.43Å; L487-F538 HydrophobicContact CB-CE1 4.15Å; L487-F538 HydrophobicContact CD1-CD1 4.18Å; L487-F538 HydrophobicContact CD1-CE1 4.33Å |
| 488 | V | 88.1 | Confident | 87.2 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 47% | 0.473 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61 | -50.9 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | R484 R485 T490 K491 M492 | R484-V488 WeakPolarHBondContact O-CG2 3.43Å; R484-V488 PolarHBondContact O-N 3.12Å; R485-V488 PolarHBondContact O-N 2.9Å; V488-T490 VanDerWaalsContact C-N 3.28Å; V488-T490 PolarHBondContact O-N 3.22Å; V488-K491 PolarHBondContact O-N 3.01Å; V488-K491 VanDerWaalsContact O-N 3.14Å; V488-M492 HydrophobicContact CG1-CG 4.17Å; V488-M492 WeakPolarHBondContact O-CB 3.41Å; V488-M492 WeakPolarHBondContact O-CG 3.38Å; V488-M492 PolarHBondContact O-N 2.56Å |
| 489 | D | 91.2 | Very high | 87.9 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -31.7 | -178.7 | -77.1 | -5.2 | 0 | 0 | 0 | 113.2 | Y433 R485 L486 R493 K494 V497 | Y433-D489 PolarHBondContact OH-OD2 3.4Å; R485-D489 WeakPolarHBondContact O-CB 3.49Å; R485-D489 PolarHBondContact O-N 2.74Å; L486-D489 PolarHBondContact O-N 2.78Å; D489-R493 PolarHBondContact O-N 3.45Å; D489-K494 HydrophobicContact CB-CD 4.01Å; D489-K494 VanDerWaalsContact CG-CE 3.47Å; D489-K494 PolarHBondContact O-N 2.91Å; D489-K494 WeakPolarHBondContact OD1-CE 3.31Å; D489-K494 IonicContact OD1-NZ 2.86Å; D489-K494 PolarHBondContact OD1-NZ 3.48Å; D489-K494 IonicContact OD2-NZ 2.78Å; D489-K494 PolarHBondContact OD2-NZ 2.9Å; D489-V497 HydrophobicContact CB-CG2 4.23Å |
| 490 | T | 90.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 172.1 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | L486 L487 V488 M492 R493 V497 W501 F538 Y540 | L486-T490 VanDerWaalsContact O-CB 3.28Å; L486-T490 WeakPolarHBondContact O-CB 3.42Å; L486-T490 PolarHBondContact O-N 3.46Å; L486-T490 PolarHBondContact O-OG1 3.2Å; L487-T490 PolarHBondContact O-N 2.69Å; V488-T490 VanDerWaalsContact C-N 3.28Å; V488-T490 PolarHBondContact O-N 3.22Å; T490-M492 VanDerWaalsContact C-N 3.31Å; T490-M492 PolarHBondContact O-N 3.49Å; T490-R493 PolarHBondContact O-N 3.01Å; T490-R493 VanDerWaalsContact O-N 3.11Å; T490-V497 WeakPolarHBondContact OG1-CG1 3.1Å; T490-W501 PolarHBondContact OG1-NE1 2.66Å; T490-F538 HydrophobicContact CG2-CB 4.34Å; T490-F538 WeakPolarHBondContact CG2-O 3.29Å; T490-Y540 HydrophobicContact CG2-CE2 3.89Å |
| 491 | K | 87.9 | Confident | 89.2 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66 | -32.6 | 176.5 | -76 | -172.9 | 173.6 | -167.8 | 0 | 112.2 | D471 L487 V488 R493 M555 | D471-K491 IonicContact OD2-NZ 3.14Å; D471-K491 PolarHBondContact OD2-NZ 3.26Å; L487-K491 HydrophobicContact CD1-CG 4.48Å; L487-K491 HydrophobicContact CG-CD 4.45Å; L487-K491 WeakPolarHBondContact O-CB 3.42Å; L487-K491 WeakPolarHBondContact O-CG 3.33Å; L487-K491 PolarHBondContact O-N 3.43Å; V488-K491 PolarHBondContact O-N 3.01Å; V488-K491 VanDerWaalsContact O-N 3.14Å; K491-R493 PolarHBondContact O-N 2.65Å; K491-M555 HydrophobicContact CG-CE 4.46Å |
| 492 | M | 89.6 | Confident | 89.6 | Confident | 141 Ų | 141 | 58.7 Ų | 58.7 | 70% | 0.695 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.1 | 174.5 | -66.9 | -69.3 | -90.7 | 0 | 0 | 113.2 | V488 T490 K494 | V488-M492 HydrophobicContact CG1-CG 4.17Å; V488-M492 WeakPolarHBondContact O-CB 3.41Å; V488-M492 WeakPolarHBondContact O-CG 3.38Å; V488-M492 PolarHBondContact O-N 2.56Å; T490-M492 VanDerWaalsContact C-N 3.31Å; T490-M492 PolarHBondContact O-N 3.49Å; M492-K494 VanDerWaalsContact C-N 3.31Å; M492-K494 PolarHBondContact O-N 3.39Å |
| 493 | R | 86.6 | Confident | 90.2 | Very high | 130 Ų | 130 | 53.5 Ų | 53.5 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 44.5 | -180 | -59.1 | -168.7 | 67.3 | 167.5 | 3.2 | 113.6 | D489 T490 K491 T495 E498 | D489-R493 PolarHBondContact O-N 3.45Å; T490-R493 PolarHBondContact O-N 3.01Å; T490-R493 VanDerWaalsContact O-N 3.11Å; K491-R493 PolarHBondContact O-N 2.65Å; R493-T495 PolarHBondContact O-N 2.94Å; R493-E498 IonicContact CZ-OE2 2.68Å; R493-E498 IonicContact NE-OE2 3.08Å; R493-E498 PolarHBondContact NE-OE2 3.34Å; R493-E498 VanDerWaalsContact NE-OE2 3.08Å; R493-E498 IonicContact NH2-OE1 2.95Å; R493-E498 PolarHBondContact NH2-OE1 2.96Å; R493-E498 IonicContact NH2-OE2 3.7Å; R493-E498 PolarHBondContact NH2-OE2 2.95Å; R493-E498 VanDerWaalsContact NH2-OE2 3.08Å |
| 494 | K | 90.1 | Very high | 90.7 | Very high | 94 Ų | 94 | 53.3 Ų | 53.3 | 41% | 0.409 | 25% | 0.245 | S | C | . | . | trans | -58.2 | 129.6 | 170 | -70.5 | -172.6 | -178.6 | 172.5 | 0 | 109.1 | D489 M492 E496 V497 E498 | D489-K494 HydrophobicContact CB-CD 4.01Å; D489-K494 VanDerWaalsContact CG-CE 3.47Å; D489-K494 PolarHBondContact O-N 2.91Å; D489-K494 WeakPolarHBondContact OD1-CE 3.31Å; D489-K494 IonicContact OD1-NZ 2.86Å; D489-K494 PolarHBondContact OD1-NZ 3.48Å; D489-K494 IonicContact OD2-NZ 2.78Å; D489-K494 PolarHBondContact OD2-NZ 2.9Å; M492-K494 VanDerWaalsContact C-N 3.31Å; M492-K494 PolarHBondContact O-N 3.39Å; K494-E496 VanDerWaalsContact C-N 3.29Å; K494-E496 PolarHBondContact O-N 2.92Å; K494-V497 HydrophobicContact CB-CB 4.27Å; K494-V497 HydrophobicContact CB-CG2 4.08Å; K494-V497 PolarHBondContact O-N 3.4Å; K494-E498 PolarHBondContact O-N 2.97Å | ||
| 495 | T | 89.7 | Confident | 91.1 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 61% | 0.607 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -52.2 | -45.8 | -174 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | R493 V497 E498 L499 | R493-T495 PolarHBondContact O-N 2.94Å; T495-V497 PolarHBondContact O-N 3.43Å; T495-E498 PolarHBondContact O-N 3.37Å; T495-L499 HydrophobicContact CG2-CD1 4.28Å; T495-L499 WeakPolarHBondContact O-CG 3.3Å; T495-L499 PolarHBondContact O-N 3.24Å |
| 496 | E | 89.4 | Confident | 91.4 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.7 | -36.6 | -179.6 | -51.8 | -49.3 | 144.3 | 0 | 0 | 113.4 | I428 N429 K494 F500 | I428-E496 HydrophobicContact CG2-CB 4.27Å; N429-E496 HydrophobicContact CB-CB 4.03Å; N429-E496 HydrophobicContact CB-CG 3.98Å; K494-E496 VanDerWaalsContact C-N 3.29Å; K494-E496 PolarHBondContact O-N 2.92Å; E496-F500 WeakPolarHBondContact O-CB 3.32Å; E496-F500 PolarHBondContact O-N 3.44Å |
| 497 | V | 92.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.2 | -37.1 | 177.8 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | I428 L486 D489 T490 K494 T495 F500 W501 | I428-V497 HydrophobicContact CD1-CG1 4.46Å; I428-V497 HydrophobicContact CD1-CG2 4.34Å; I428-V497 HydrophobicContact CG2-CG2 4.19Å; L486-V497 HydrophobicContact CD1-CG1 4.27Å; D489-V497 HydrophobicContact CB-CG2 4.23Å; T490-V497 WeakPolarHBondContact OG1-CG1 3.1Å; K494-V497 HydrophobicContact CB-CB 4.27Å; K494-V497 HydrophobicContact CB-CG2 4.08Å; K494-V497 PolarHBondContact O-N 3.4Å; T495-V497 PolarHBondContact O-N 3.43Å; V497-F500 PolarHBondContact O-N 3.15Å; V497-W501 PolarHBondContact O-N 3.43Å |
| 498 | E | 92.4 | Very high | 91.8 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 173.4 | 177.7 | 158.9 | 175.6 | 0 | 0 | 111.4 | R493 K494 T495 W501 R502 Y540 | R493-E498 IonicContact CZ-OE2 2.68Å; R493-E498 IonicContact NE-OE2 3.08Å; R493-E498 PolarHBondContact NE-OE2 3.34Å; R493-E498 VanDerWaalsContact NE-OE2 3.08Å; R493-E498 IonicContact NH2-OE1 2.95Å; R493-E498 PolarHBondContact NH2-OE1 2.96Å; R493-E498 IonicContact NH2-OE2 3.7Å; R493-E498 PolarHBondContact NH2-OE2 2.95Å; R493-E498 VanDerWaalsContact NH2-OE2 3.08Å; K494-E498 PolarHBondContact O-N 2.97Å; T495-E498 PolarHBondContact O-N 3.37Å; E498-W501 PolarHBondContact O-N 3.29Å; E498-R502 HydrophobicContact CG-CG 4.43Å; E498-R502 VanDerWaalsContact CG-NE 3.33Å; E498-R502 WeakPolarHBondContact O-CB 3.5Å; E498-R502 WeakPolarHBondContact O-CG 3.2Å; E498-R502 PolarHBondContact O-N 3.49Å; E498-R502 IonicContact OE1-CZ 3.93Å; E498-R502 VanDerWaalsContact OE1-CZ 3.26Å; E498-R502 IonicContact OE1-NE 3.03Å; E498-R502 PolarHBondContact OE1-NE 3.08Å; E498-R502 IonicContact OE1-NH2 2.72Å; E498-R502 PolarHBondContact OE1-NH2 3.39Å; E498-Y540 WeakPolarHBondContact CB-OH 3.47Å; E498-Y540 HydrophobicContact CG-CE1 4.12Å; E498-Y540 WeakPolarHBondContact CG-OH 3.43Å |
| 499 | L | 92.5 | Very high | 91.7 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 173.4 | -75.3 | 170.8 | 0 | 0 | 0 | 112.2 | T495 R502 C503 Y632 I675 | T495-L499 HydrophobicContact CG2-CD1 4.28Å; T495-L499 WeakPolarHBondContact O-CG 3.3Å; T495-L499 PolarHBondContact O-N 3.24Å; L499-R502 PolarHBondContact O-N 3.47Å; L499-C503 WeakPolarHBondContact O-CB 3.34Å; L499-C503 PolarHBondContact O-N 3.24Å; L499-Y632 HydrophobicContact CD1-CE1 4.44Å; L499-I675 HydrophobicContact CB-CG2 4.48Å |
| 500 | F | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -51.3 | 175.9 | 177.3 | -90.3 | 0 | 0 | 0 | 112 | F423 C426 I428 E496 V497 C503 L504 L630 I675 T678 | F423-F500 HydrophobicContact CE2-CZ 4.26Å; F423-F500 HydrophobicContact CZ-CE1 4.37Å; F423-F500 HydrophobicContact CZ-CZ 4.23Å; C426-F500 HydrophobicContact CB-CE2 4.2Å; C426-F500 HydrophobicContact CB-CZ 3.7Å; I428-F500 HydrophobicContact CD1-CB 4.13Å; I428-F500 HydrophobicContact CD1-CD1 3.59Å; I428-F500 HydrophobicContact CD1-CD2 4.01Å; I428-F500 HydrophobicContact CD1-CE1 3.9Å; I428-F500 HydrophobicContact CD1-CE2 4.28Å; I428-F500 HydrophobicContact CD1-CG 3.65Å; I428-F500 HydrophobicContact CD1-CZ 4.22Å; I428-F500 HydrophobicContact CG1-CB 4.43Å; I428-F500 HydrophobicContact CG1-CD1 4.23Å; I428-F500 HydrophobicContact CG1-CD2 3.71Å; I428-F500 HydrophobicContact CG1-CE1 4.42Å; I428-F500 HydrophobicContact CG1-CE2 3.91Å; I428-F500 HydrophobicContact CG1-CG 3.88Å; I428-F500 HydrophobicContact CG1-CZ 4.25Å; I428-F500 HydrophobicContact CG2-CB 4.06Å; I428-F500 HydrophobicContact CG2-CD2 4.46Å; I428-F500 HydrophobicContact CG2-CG 4.4Å; E496-F500 WeakPolarHBondContact O-CB 3.32Å; E496-F500 PolarHBondContact O-N 3.44Å; V497-F500 PolarHBondContact O-N 3.15Å; F500-C503 WeakPolarHBondContact O-CB 3.3Å; F500-C503 PolarHBondContact O-N 3.4Å; F500-L504 HydrophobicContact CD1-CD1 4.28Å; F500-L504 HydrophobicContact CE1-CD1 3.65Å; F500-L504 HydrophobicContact CZ-CD1 3.91Å; F500-L504 PolarHBondContact O-N 3.34Å; F500-L630 HydrophobicContact CD2-CD1 3.52Å; F500-L630 HydrophobicContact CE2-CD1 3.48Å; F500-L630 VanDerWaalsContact CE2-CD1 3.48Å; F500-L630 HydrophobicContact CG-CD1 4.31Å; F500-L630 HydrophobicContact CZ-CD1 4.26Å; F500-I675 HydrophobicContact CB-CG2 3.78Å; F500-I675 HydrophobicContact CD2-CG2 4.29Å; F500-T678 HydrophobicContact CE2-CG2 3.78Å; F500-T678 HydrophobicContact CZ-CG2 3.63Å |
| 501 | W | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.6 | -36.9 | 179.8 | -67.7 | 126.5 | 0 | 0 | 0 | 113 | F423 L486 T490 V497 E498 L504 A505 A534 A535 F538 Y540 | F423-W501 HydrophobicContact CE1-CH2 4.3Å; F423-W501 HydrophobicContact CZ-CH2 4.25Å; L486-W501 HydrophobicContact CD1-CZ2 4.17Å; L486-W501 HydrophobicContact CD2-CH2 4.18Å; L486-W501 HydrophobicContact CD2-CZ2 3.74Å; L486-W501 HydrophobicContact CG-CZ2 3.99Å; T490-W501 PolarHBondContact OG1-NE1 2.66Å; V497-W501 PolarHBondContact O-N 3.43Å; E498-W501 PolarHBondContact O-N 3.29Å; W501-L504 HydrophobicContact CE3-CD1 4.03Å; W501-L504 HydrophobicContact CZ3-CD1 3.98Å; W501-L504 PolarHBondContact O-N 3.1Å; W501-A505 WeakPolarHBondContact O-CB 3.14Å; W501-A505 PolarHBondContact O-N 3.49Å; W501-A534 HydrophobicContact CZ3-CB 4.18Å; W501-A535 HydrophobicContact CE3-CB 3.9Å; W501-A535 HydrophobicContact CZ3-CB 4.4Å; W501-F538 HydrophobicContact CD2-CB 4.21Å; W501-F538 AromaticContact CE2-CG 3.9Å; W501-F538 HydrophobicContact CH2-CB 4.14Å; W501-F538 AromaticContact CH2-CD2 3.22Å; W501-F538 HydrophobicContact CH2-CD2 3.22Å; W501-F538 AromaticContact CH2-CE2 3.67Å; W501-F538 HydrophobicContact CH2-CE2 3.67Å; W501-F538 AromaticContact CH2-CG 3.74Å; W501-F538 HydrophobicContact CH2-CG 3.74Å; W501-F538 HydrophobicContact CH2-CZ 4.49Å; W501-F538 HydrophobicContact CZ2-CB 3.71Å; W501-F538 AromaticContact CZ2-CD1 3.84Å; W501-F538 HydrophobicContact CZ2-CD1 3.84Å; W501-F538 AromaticContact CZ2-CD2 3.34Å; W501-F538 HydrophobicContact CZ2-CD2 3.34Å; W501-F538 HydrophobicContact CZ2-CE1 4.29Å; W501-F538 AromaticContact CZ2-CE2 3.84Å; W501-F538 HydrophobicContact CZ2-CE2 3.84Å; W501-F538 AromaticContact CZ2-CG 3.34Å; W501-F538 HydrophobicContact CZ2-CG 3.34Å; W501-F538 HydrophobicContact CZ2-CZ 4.28Å; W501-F538 HydrophobicContact CZ3-CD2 4.05Å; W501-Y540 HydrophobicContact CB-CD1 3.77Å; W501-Y540 HydrophobicContact CB-CD2 3.42Å; W501-Y540 VanDerWaalsContact CB-CD2 3.42Å; W501-Y540 HydrophobicContact CB-CE1 3.98Å; W501-Y540 HydrophobicContact CB-CE2 3.67Å; W501-Y540 HydrophobicContact CB-CG 3.49Å; W501-Y540 VanDerWaalsContact CB-CG 3.49Å; W501-Y540 AromaticContact CD1-CD2 3.95Å; W501-Y540 AromaticContact CD1-CE2 3.64Å; W501-Y540 AromaticContact CG-CD2 3.75Å; W501-Y540 HydrophobicContact CG-CD2 3.75Å; W501-Y540 AromaticContact CG-CE2 3.87Å; W501-Y540 HydrophobicContact CG-CE2 3.87Å; W501-Y540 HydrophobicContact CG-CG 4.29Å |
| 502 | R | 94.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 173.5 | -75 | 173.8 | -179.9 | -70.8 | 0.7 | 111.5 | E498 L499 L504 A505 L506 Y540 E559 Y561 R582 | E498-R502 HydrophobicContact CG-CG 4.43Å; E498-R502 VanDerWaalsContact CG-NE 3.33Å; E498-R502 WeakPolarHBondContact O-CB 3.5Å; E498-R502 WeakPolarHBondContact O-CG 3.2Å; E498-R502 PolarHBondContact O-N 3.49Å; E498-R502 IonicContact OE1-CZ 3.93Å; E498-R502 VanDerWaalsContact OE1-CZ 3.26Å; E498-R502 IonicContact OE1-NE 3.03Å; E498-R502 PolarHBondContact OE1-NE 3.08Å; E498-R502 IonicContact OE1-NH2 2.72Å; E498-R502 PolarHBondContact OE1-NH2 3.39Å; L499-R502 PolarHBondContact O-N 3.47Å; R502-L504 VanDerWaalsContact C-N 3.34Å; R502-L504 PolarHBondContact O-N 3.44Å; R502-A505 PolarHBondContact O-N 3.42Å; R502-L506 WeakPolarHBondContact O-CB 3.28Å; R502-L506 WeakPolarHBondContact O-CG 3.27Å; R502-L506 PolarHBondContact O-N 3.5Å; R502-Y540 HydrophobicContact CG-CD1 4.16Å; R502-Y540 HydrophobicContact CG-CE1 3.96Å; R502-E559 IonicContact CZ-OE1 3.93Å; R502-E559 IonicContact CZ-OE2 2.75Å; R502-E559 IonicContact NH1-OE1 3.43Å; R502-E559 IonicContact NH1-OE2 3.26Å; R502-E559 PolarHBondContact NH1-OE2 3.49Å; R502-E559 IonicContact NH2-OE1 3.05Å; R502-E559 PolarHBondContact NH2-OE1 2.78Å; R502-E559 IonicContact NH2-OE2 3.28Å; R502-E559 PolarHBondContact NH2-OE2 2.7Å; R502-Y561 PolarHBondContact NH1-OH 2.71Å; R502-R582 VanDerWaalsContact CZ-NH1 3.28Å |
| 503 | C | 94.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | L499 F500 L506 C507 Y589 I675 | L499-C503 WeakPolarHBondContact O-CB 3.34Å; L499-C503 PolarHBondContact O-N 3.24Å; F500-C503 WeakPolarHBondContact O-CB 3.3Å; F500-C503 PolarHBondContact O-N 3.4Å; C503-L506 PolarHBondContact O-N 3.23Å; C503-C507 WeakPolarHBondContact O-CB 3.41Å; C503-C507 PolarHBondContact O-N 3.45Å; C503-Y589 HydrophobicContact CB-CD1 3.7Å; C503-Y589 HydrophobicContact CB-CE1 4.35Å; C503-I675 HydrophobicContact CB-CD1 4.02Å |
| 504 | L | 94.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.7 | -31.9 | 178.7 | -65.1 | -173.9 | 0 | 0 | 0 | 113.6 | F500 W501 R502 H508 L531 A535 L630 T678 | F500-L504 HydrophobicContact CD1-CD1 4.28Å; F500-L504 HydrophobicContact CE1-CD1 3.65Å; F500-L504 HydrophobicContact CZ-CD1 3.91Å; F500-L504 PolarHBondContact O-N 3.34Å; W501-L504 HydrophobicContact CE3-CD1 4.03Å; W501-L504 HydrophobicContact CZ3-CD1 3.98Å; W501-L504 PolarHBondContact O-N 3.1Å; R502-L504 VanDerWaalsContact C-N 3.34Å; R502-L504 PolarHBondContact O-N 3.44Å; L504-H508 PolarHBondContact O-CD2 3.35Å; L504-L531 HydrophobicContact CD1-CD2 4.21Å; L504-L531 HydrophobicContact CD2-CB 4.23Å; L504-L531 HydrophobicContact CD2-CD1 4.29Å; L504-L531 HydrophobicContact CD2-CD2 3.97Å; L504-L531 HydrophobicContact CD2-CG 4.4Å; L504-A535 HydrophobicContact CB-CB 4.13Å; L504-L630 HydrophobicContact CD2-CD1 3.7Å; L504-L630 HydrophobicContact CD2-CD2 3.93Å; L504-L630 HydrophobicContact CD2-CG 4.47Å; L504-L630 HydrophobicContact CG-CD1 4.01Å; L504-T678 HydrophobicContact CD1-CG2 4.25Å; L504-T678 HydrophobicContact CD2-CG2 4.19Å |
| 505 | A | 94.4 | Very high | 89 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -84.4 | -12.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W501 R502 H508 A535 I552 | W501-A505 WeakPolarHBondContact O-CB 3.14Å; W501-A505 PolarHBondContact O-N 3.49Å; R502-A505 PolarHBondContact O-N 3.42Å; A505-H508 PolarHBondContact O-CD2 2.88Å; A505-H508 PolarHBondContact O-NE2 3.11Å; A505-A535 HydrophobicContact CB-CB 4.37Å; A505-I552 HydrophobicContact CB-CG2 4.49Å |
| 506 | L | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -112.2 | -43.1 | -180 | -66.6 | 170.9 | 0 | 0 | 0 | 112.5 | R502 C503 H508 I550 I552 Y561 V580 Y589 | R502-L506 WeakPolarHBondContact O-CB 3.28Å; R502-L506 WeakPolarHBondContact O-CG 3.27Å; R502-L506 PolarHBondContact O-N 3.5Å; C503-L506 PolarHBondContact O-N 3.23Å; L506-H508 PolarHBondContact O-N 2.82Å; L506-I550 HydrophobicContact CD2-CB 4.35Å; L506-I550 HydrophobicContact CD2-CG2 3.87Å; L506-I552 HydrophobicContact CD2-CD1 4.17Å; L506-I552 HydrophobicContact CD2-CG2 3.97Å; L506-I552 HydrophobicContact CG-CD1 4.38Å; L506-Y561 HydrophobicContact CD1-CD1 4Å; L506-Y561 HydrophobicContact CD1-CE1 3.67Å; L506-Y561 HydrophobicContact CD1-CE2 4.27Å; L506-Y561 HydrophobicContact CD1-CG 4.39Å; L506-Y561 HydrophobicContact CD2-CD1 4.31Å; L506-Y561 HydrophobicContact CD2-CD2 3.9Å; L506-Y561 HydrophobicContact CD2-CE2 4.28Å; L506-Y561 HydrophobicContact CD2-CG 3.92Å; L506-V580 HydrophobicContact CD1-CG2 4.41Å; L506-Y589 HydrophobicContact CD1-CD2 4.26Å; L506-Y589 HydrophobicContact CD1-CE2 3.85Å |
| 507 | C | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -84.6 | 73.6 | -174.6 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | C503 M576 V578 K591 | C503-C507 WeakPolarHBondContact O-CB 3.41Å; C503-C507 PolarHBondContact O-N 3.45Å; C507-M576 PolarHBondContact SG-O 3.46Å; C507-V578 HydrophobicContact CB-CB 4.48Å; C507-V578 HydrophobicContact CB-CG2 4.28Å; C507-K591 WeakPolarHBondContact O-CD 3.31Å; C507-K591 WeakPolarHBondContact O-CE 3.38Å; C507-K591 PolarHBondContact O-NZ 2.88Å |
| 508 | H | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -158.2 | 168.2 | 177.2 | 63.5 | 77.8 | 0 | 0 | 0 | 113 | L504 A505 L506 V510 T532 F542 R545 | L504-H508 PolarHBondContact O-CD2 3.35Å; A505-H508 PolarHBondContact O-CD2 2.88Å; A505-H508 PolarHBondContact O-NE2 3.11Å; L506-H508 PolarHBondContact O-N 2.82Å; H508-V510 HydrophobicContact CB-CG2 4.15Å; H508-V510 WeakPolarHBondContact ND1-CB 3.37Å; H508-V510 PolarHBondContact ND1-N 3.14Å; H508-V510 VanDerWaalsContact ND1-N 3.15Å; H508-T532 HydrophobicContact CB-CG2 3.95Å; H508-T532 VanDerWaalsContact CD2-CG2 3.41Å; H508-T532 WeakPolarHBondContact CD2-CG2 3.35Å; H508-F542 AromaticContact CE1-CD1 3.62Å; H508-F542 AromaticContact CE1-CD2 3.89Å; H508-F542 AromaticContact CE1-CE1 3.86Å; H508-F542 AromaticContact CE1-CG 3.63Å; H508-F542 AromaticContact NE2-CG 3.77Å; H508-R545 PolarHBondContact CE1-NH2 3.25Å; H508-R545 PolarHBondContact ND1-NH2 3.34Å; H508-R545 VanDerWaalsContact O-CZ 3.31Å; H508-R545 PolarHBondContact O-NH1 3.37Å; H508-R545 PolarHBondContact O-NH2 2.9Å |
| 509 | T | 86.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | trans | -105.6 | 6.2 | 169.4 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | M511 E528 M576 H1199 I1207 | T509-M511 PolarHBondContact O-N 3.17Å; T509-E528 PolarHBondContact N-OE2 3Å; T509-E528 PolarHBondContact OG1-OE2 3.48Å; T509-M576 HydrophobicContact CG2-CE 3.35Å; T509-H1199 PolarHBondContact OG1-NE2 3.25Å; T509-I1207 HydrophobicContact CG2-CD1 4.08Å | ||
| 510 | V | 86.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -52 | 134.6 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | H508 Y521 Q522 A523 E528 T532 F542 | H508-V510 HydrophobicContact CB-CG2 4.15Å; H508-V510 WeakPolarHBondContact ND1-CB 3.37Å; H508-V510 PolarHBondContact ND1-N 3.14Å; H508-V510 VanDerWaalsContact ND1-N 3.15Å; V510-Y521 HydrophobicContact CG1-CD1 4.34Å; V510-Y521 HydrophobicContact CG1-CD2 4.46Å; V510-Y521 HydrophobicContact CG1-CG 3.93Å; V510-Q522 WeakPolarHBondContact CA-O 3.34Å; V510-A523 HydrophobicContact CB-CB 4.43Å; V510-A523 HydrophobicContact CG1-CB 4.34Å; V510-A523 HydrophobicContact CG2-CB 3.61Å; V510-E528 HydrophobicContact CG2-CB 3.98Å; V510-T532 HydrophobicContact CB-CG2 4.35Å; V510-T532 HydrophobicContact CG2-CG2 3.74Å; V510-F542 WeakPolarHBondContact O-CE1 3.45Å; V510-F542 WeakPolarHBondContact O-CZ 3.24Å | ||
| 511 | M | 82.5 | Confident | 85.4 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 21% | 0.207 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 144.1 | 172.6 | -63.9 | -62.3 | -69.3 | 0 | 0 | 110 | T509 Q522 I1207 | T509-M511 PolarHBondContact O-N 3.17Å; M511-Q522 PolarHBondContact N-O 3.24Å; M511-Q522 PolarHBondContact O-N 3.16Å; M511-I1207 HydrophobicContact SD-CD1 4.45Å; M511-I1207 HydrophobicContact SD-CG1 4.47Å |
| 512 | S | 84.7 | Confident | 84.7 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.6 | 176.7 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | L543 S544 | S512-L543 VanDerWaalsContact CB-O 3.29Å; S512-L543 WeakPolarHBondContact CB-O 3.45Å; S512-L543 VanDerWaalsContact OG-C 3.32Å; S512-L543 PolarHBondContact OG-O 2.99Å; S512-S544 WeakPolarHBondContact OG-CA 3.43Å |
| 513 | E | 76.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 46.6 Ų | 46.6 | 31% | 0.308 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.7 | 172.1 | -170.5 | 171 | -165.7 | 0 | 0 | 109.4 | E520 Q522 | E513-E520 PolarHBondContact N-O 3.26Å; E513-E520 PolarHBondContact O-N 2.88Å; E513-Q522 PolarHBondContact OE2-NE2 3.13Å |
| 514 | M | 76.8 | Confident | 82.7 | Confident | 74 Ų | 74 | 48.4 Ų | 48.4 | 37% | 0.365 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 102.9 | 176.6 | -163.6 | 61.2 | 162.7 | 0 | 0 | 108.8 | W474 N517 L519 | W474-M514 HydrophobicContact CH2-CE 3.65Å; W474-M514 HydrophobicContact CZ3-CE 3.75Å; W474-M514 HydrophobicContact CZ3-SD 4.35Å; M514-N517 VanDerWaalsContact CE-C 3.43Å; M514-N517 HydrophobicContact CE-CB 4.45Å; M514-N517 WeakPolarHBondContact CE-O 3.32Å; M514-L519 HydrophobicContact SD-CB 4.21Å; M514-L519 PolarHBondContact SD-N 2.84Å |
| 515 | K | 71.3 | Confident | 81.7 | Confident | 111 Ų | 111 | 48.2 Ų | 48.2 | 48% | 0.483 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.8 | -179 | -166.7 | 176.8 | -176.5 | 175.6 | 0 | 109.4 | N517 K518 | K515-N517 VanDerWaalsContact C-N 3.3Å; K515-N517 PolarHBondContact O-N 3.13Å; K515-K518 PolarHBondContact N-O 2.85Å; K515-K518 WeakPolarHBondContact O-CB 3.38Å; K515-K518 PolarHBondContact O-N 2.85Å |
| 516 | N | 73.1 | Confident | 80.9 | Confident | 147 Ų | 147 | 50 Ų | 50 | 79% | 0.786 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 45 | -179.9 | -59.4 | -24.7 | 0 | 0 | 0 | 113.7 | K518 | N516-K518 PolarHBondContact O-N 2.87Š|
| 517 | N | 73.2 | Confident | 80.4 | Confident | 113 Ų | 113 | 50 Ų | 50 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 17.9 | -174.2 | -63.3 | -8.1 | 0 | 0 | 0 | 115.5 | M514 K515 | M514-N517 VanDerWaalsContact CE-C 3.43Å; M514-N517 HydrophobicContact CE-CB 4.45Å; M514-N517 WeakPolarHBondContact CE-O 3.32Å; K515-N517 VanDerWaalsContact C-N 3.3Å; K515-N517 PolarHBondContact O-N 3.13Å |
| 518 | K | 78.9 | Confident | 80.1 | Confident | 146 Ų | 146 | 50 Ų | 50 | 64% | 0.635 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.9 | 172 | -64.7 | -178.8 | -179.7 | 177.8 | 0 | 109.6 | K515 N516 E520 | K515-K518 PolarHBondContact N-O 2.85Å; K515-K518 WeakPolarHBondContact O-CB 3.38Å; K515-K518 PolarHBondContact O-N 2.85Å; N516-K518 PolarHBondContact O-N 2.87Å; K518-E520 PolarHBondContact O-N 3.37Å |
| 519 | L | 84.9 | Confident | 79.9 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 117.9 | 172.8 | -177.3 | 67.4 | 0 | 0 | 0 | 108.5 | W474 M514 Y521 R536 V541 L543 | W474-L519 HydrophobicContact CD2-CD2 4.41Å; W474-L519 HydrophobicContact CE3-CB 3.8Å; W474-L519 HydrophobicContact CE3-CD2 4.25Å; W474-L519 HydrophobicContact CZ3-CB 3.83Å; M514-L519 HydrophobicContact SD-CB 4.21Å; M514-L519 PolarHBondContact SD-N 2.84Å; L519-Y521 HydrophobicContact CD1-CE1 4.27Å; L519-Y521 HydrophobicContact CD2-CE1 3.79Å; L519-Y521 HydrophobicContact CG-CD1 4.38Å; L519-Y521 HydrophobicContact CG-CE1 3.85Å; L519-R536 PolarHBondContact O-NH1 2.86Å; L519-R536 PolarHBondContact O-NH2 2.84Å; L519-R536 VanDerWaalsContact O-NH2 3.12Å; L519-V541 HydrophobicContact CD2-CG1 3.59Å; L519-L543 HydrophobicContact CD2-CD2 4.49Å |
| 520 | E | 81.9 | Confident | 80 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.9 | 175 | -70 | -175.1 | 171.5 | 0 | 0 | 109.7 | E513 K518 | E513-E520 PolarHBondContact N-O 3.26Å; E513-E520 PolarHBondContact O-N 2.88Å; K518-E520 PolarHBondContact O-N 3.37Å |
| 521 | Y | 85.5 | Confident | 80.4 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 13% | 0.129 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.5 | 178.3 | -74.3 | -13.5 | 0 | 0 | 0 | 110 | V510 L519 R536 V541 F542 | V510-Y521 HydrophobicContact CG1-CD1 4.34Å; V510-Y521 HydrophobicContact CG1-CD2 4.46Å; V510-Y521 HydrophobicContact CG1-CG 3.93Å; L519-Y521 HydrophobicContact CD1-CE1 4.27Å; L519-Y521 HydrophobicContact CD2-CE1 3.79Å; L519-Y521 HydrophobicContact CG-CD1 4.38Å; L519-Y521 HydrophobicContact CG-CE1 3.85Å; Y521-R536 HydrophobicContact CE2-CB 3.94Å; Y521-R536 HydrophobicContact CE2-CG 4.38Å; Y521-V541 WeakPolarHBondContact OH-CG1 3.44Å; Y521-F542 HydrophobicContact CD1-CD1 4.46Å; Y521-F542 HydrophobicContact CE1-CB 4.42Å; Y521-F542 AromaticContact CE1-CD1 3.98Å; Y521-F542 HydrophobicContact CE1-CD1 3.98Å; Y521-F542 VanDerWaalsContact CE1-O 3.22Å; Y521-F542 WeakPolarHBondContact CE1-O 3.49Å; Y521-F542 WeakPolarHBondContact OH-CA 3.46Å; Y521-F542 PolarHBondContact OH-N 3.45Å; Y521-F542 PolarHBondContact OH-O 3.49Å |
| 522 | Q | 79.8 | Confident | 80.8 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 108.1 | 173.9 | -66.6 | 176.6 | 7.2 | 0 | 0 | 107.8 | V510 M511 E513 | V510-Q522 WeakPolarHBondContact CA-O 3.34Å; M511-Q522 PolarHBondContact N-O 3.24Å; M511-Q522 PolarHBondContact O-N 3.16Å; E513-Q522 PolarHBondContact OE2-NE2 3.13Å |
| 523 | A | 77.4 | Confident | 81.2 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | trans | -111.6 | 148.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V510 S525 E528 A529 | V510-A523 HydrophobicContact CB-CB 4.43Å; V510-A523 HydrophobicContact CG1-CB 4.34Å; V510-A523 HydrophobicContact CG2-CB 3.61Å; A523-S525 VanDerWaalsContact CB-O 3.32Å; A523-S525 WeakPolarHBondContact CB-O 3.38Å; A523-E528 HydrophobicContact CB-CB 4.35Å; A523-A529 HydrophobicContact CB-CB 3.72Å | ||
| 524 | Q | 69.5 | Low | 81.9 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -75.2 | -29.6 | 173.5 | -174.4 | -179.5 | 9.2 | 0 | 0 | 112.5 | H1199 H1200 F1203 | Q524-H1199 PolarHBondContact OE1-CE1 3.23Å; Q524-H1199 PolarHBondContact OE1-NE2 3.43Å; Q524-H1199 VanDerWaalsContact OE1-NE2 3.1Å; Q524-H1200 VanDerWaalsContact NE2-CB 3.29Å; Q524-H1200 PolarHBondContact NE2-O 3.26Å; Q524-F1203 VanDerWaalsContact OE1-CB 3.32Å |
| 525 | S | 74.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -119.8 | 136 | 173.6 | 64.7 | 0 | 0 | 0 | 0 | 110 | A523 D527 E528 A529 S1198 | A523-S525 VanDerWaalsContact CB-O 3.32Å; A523-S525 WeakPolarHBondContact CB-O 3.38Å; S525-D527 PolarHBondContact O-N 3.22Å; S525-E528 PolarHBondContact O-N 3Å; S525-E528 WeakPolarHBondContact OG-CB 3.33Å; S525-E528 VanDerWaalsContact OG-CG 3.23Å; S525-E528 WeakPolarHBondContact OG-CG 3.31Å; S525-E528 PolarHBondContact OG-N 2.69Å; S525-A529 PolarHBondContact O-N 3.05Å; S525-A529 VanDerWaalsContact O-N 3.09Å; S525-S1198 VanDerWaalsContact CB-OG 3.3Å; S525-S1198 WeakPolarHBondContact CB-OG 3.4Å |
| 526 | P | 77.5 | Confident | 83.7 | Confident | 40 Ų | 40 | 38.9 Ų | 38.9 | 26% | 0.26 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -25.5 | 172.9 | 27.3 | -38 | 0 | 0 | 0 | 112.3 | M421 A529 A530 S1198 | M421-P526 HydrophobicContact CB-CB 4.14Å; M421-P526 HydrophobicContact CE-CG 4.25Å; M421-P526 HydrophobicContact CG-CB 3.6Å; M421-P526 HydrophobicContact CG-CG 3.77Å; P526-A529 WeakPolarHBondContact O-CB 3.38Å; P526-A529 PolarHBondContact O-N 3.44Å; P526-A530 WeakPolarHBondContact O-CB 3.38Å; P526-A530 PolarHBondContact O-N 3.22Å; P526-S1198 WeakPolarHBondContact CD-OG 3.25Å |
| 527 | D | 84.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 172.2 | -59.5 | -40.9 | 0 | 0 | 0 | 110.8 | S525 A530 L531 R626 I680 F1197 S1198 | S525-D527 PolarHBondContact O-N 3.22Å; D527-A530 PolarHBondContact O-N 2.83Å; D527-L531 VanDerWaalsContact O-CG 3.27Å; D527-L531 WeakPolarHBondContact O-CG 3.45Å; D527-L531 PolarHBondContact O-N 3.15Å; D527-R626 IonicContact OD1-NH1 2.7Å; D527-R626 PolarHBondContact OD1-NH1 2.8Å; D527-R626 IonicContact OD2-NH1 3.35Å; D527-I680 HydrophobicContact CB-CD1 3.89Å; D527-F1197 HydrophobicContact CB-CD2 3.84Å; D527-F1197 HydrophobicContact CB-CE2 3.93Å; D527-F1197 WeakPolarHBondContact OD2-CA 3.38Å; D527-S1198 PolarHBondContact OD2-N 2.79Å; D527-S1198 PolarHBondContact OD2-OG 3.07Å |
| 528 | E | 86.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 174.2 | -77.1 | -164.7 | 166.9 | 0 | 0 | 113.2 | T509 V510 A523 S525 A530 L531 T532 K591 F1197 H1199 | T509-E528 PolarHBondContact N-OE2 3Å; T509-E528 PolarHBondContact OG1-OE2 3.48Å; V510-E528 HydrophobicContact CG2-CB 3.98Å; A523-E528 HydrophobicContact CB-CB 4.35Å; S525-E528 PolarHBondContact O-N 3Å; S525-E528 WeakPolarHBondContact OG-CB 3.33Å; S525-E528 VanDerWaalsContact OG-CG 3.23Å; S525-E528 WeakPolarHBondContact OG-CG 3.31Å; S525-E528 PolarHBondContact OG-N 2.69Å; E528-A530 VanDerWaalsContact C-N 3.31Å; E528-A530 PolarHBondContact O-N 2.63Å; E528-L531 PolarHBondContact O-N 3.25Å; E528-T532 WeakPolarHBondContact O-CB 3.29Å; E528-T532 WeakPolarHBondContact O-CG2 3.15Å; E528-T532 PolarHBondContact O-N 2.65Å; E528-T532 PolarHBondContact O-OG1 2.81Å; E528-K591 VanDerWaalsContact CD-NZ 3.34Å; E528-K591 IonicContact OE1-NZ 2.65Å; E528-K591 PolarHBondContact OE1-NZ 2.97Å; E528-F1197 HydrophobicContact CG-CE2 3.92Å; E528-F1197 HydrophobicContact CG-CZ 3.6Å; E528-H1199 IonicContact OE1-CD2 3.65Å; E528-H1199 PolarHBondContact OE1-CD2 2.76Å; E528-H1199 IonicContact OE1-NE2 3.45Å; E528-H1199 IonicContact OE2-CD2 2.65Å; E528-H1199 IonicContact OE2-NE2 3.09Å |
| 529 | A | 87.1 | Confident | 85.9 | Confident | 25 Ų | 25 | 20.2 Ų | 20.2 | 21% | 0.207 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | A523 S525 P526 L531 T532 C533 | A523-A529 HydrophobicContact CB-CB 3.72Å; S525-A529 PolarHBondContact O-N 3.05Å; S525-A529 VanDerWaalsContact O-N 3.09Å; P526-A529 WeakPolarHBondContact O-CB 3.38Å; P526-A529 PolarHBondContact O-N 3.44Å; A529-L531 PolarHBondContact O-N 3Å; A529-T532 PolarHBondContact O-OG1 3.05Å; A529-C533 WeakPolarHBondContact O-CB 3.48Å; A529-C533 PolarHBondContact O-N 3.29Å; A529-C533 PolarHBondContact O-SG 2.94Å |
| 530 | A | 89.4 | Confident | 86.3 | Confident | 9 Ų | 9 | 19.6 Ų | 19.6 | 7% | 0.074 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M421 P526 D527 E528 A534 I680 | M421-A530 HydrophobicContact CB-CB 4.07Å; M421-A530 WeakPolarHBondContact O-CB 3.4Å; P526-A530 WeakPolarHBondContact O-CB 3.38Å; P526-A530 PolarHBondContact O-N 3.22Å; D527-A530 PolarHBondContact O-N 2.83Å; E528-A530 VanDerWaalsContact C-N 3.31Å; E528-A530 PolarHBondContact O-N 2.63Å; A530-A534 WeakPolarHBondContact O-CB 3.3Å; A530-A534 PolarHBondContact O-N 3.02Å; A530-I680 HydrophobicContact CB-CG2 4.36Å |
| 531 | L | 93.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.1 | -49.1 | 178.8 | -68.4 | 170.4 | 0 | 0 | 0 | 112.6 | F423 L504 D527 E528 A529 A534 A535 L628 T678 I680 | F423-L531 HydrophobicContact CD2-CD2 4.06Å; F423-L531 HydrophobicContact CE2-CD2 4.45Å; L504-L531 HydrophobicContact CD1-CD2 4.21Å; L504-L531 HydrophobicContact CD2-CB 4.23Å; L504-L531 HydrophobicContact CD2-CD1 4.29Å; L504-L531 HydrophobicContact CD2-CD2 3.97Å; L504-L531 HydrophobicContact CD2-CG 4.4Å; D527-L531 VanDerWaalsContact O-CG 3.27Å; D527-L531 WeakPolarHBondContact O-CG 3.45Å; D527-L531 PolarHBondContact O-N 3.15Å; E528-L531 PolarHBondContact O-N 3.25Å; A529-L531 PolarHBondContact O-N 3Å; L531-A534 WeakPolarHBondContact O-CB 3.33Å; L531-A534 PolarHBondContact O-N 3.26Å; L531-A535 PolarHBondContact O-N 2.75Å; L531-L628 HydrophobicContact CD1-CD1 3.76Å; L531-T678 HydrophobicContact CD2-CG2 3.84Å; L531-I680 HydrophobicContact CD1-CD1 4.06Å; L531-I680 HydrophobicContact CD2-CD1 3.94Å; L531-I680 HydrophobicContact CD2-CG1 4.21Å; L531-I680 HydrophobicContact CG-CD1 3.78Å |
| 532 | T | 92 | Very high | 87.2 | Confident | 4 Ų | 4 | 14.2 Ų | 14.2 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.8 | -35.6 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 112 | H508 V510 E528 A529 A535 R536 | H508-T532 HydrophobicContact CB-CG2 3.95Å; H508-T532 VanDerWaalsContact CD2-CG2 3.41Å; H508-T532 WeakPolarHBondContact CD2-CG2 3.35Å; V510-T532 HydrophobicContact CB-CG2 4.35Å; V510-T532 HydrophobicContact CG2-CG2 3.74Å; E528-T532 WeakPolarHBondContact O-CB 3.29Å; E528-T532 WeakPolarHBondContact O-CG2 3.15Å; E528-T532 PolarHBondContact O-N 2.65Å; E528-T532 PolarHBondContact O-OG1 2.81Å; A529-T532 PolarHBondContact O-OG1 3.05Å; T532-A535 PolarHBondContact O-N 2.69Å; T532-R536 VanDerWaalsContact O-CB 3.31Å; T532-R536 WeakPolarHBondContact O-CB 3.35Å; T532-R536 PolarHBondContact O-N 3.14Å |
| 533 | C | 91.3 | Very high | 87.7 | Confident | 28 Ų | 28 | 12 Ų | 12 | 19% | 0.189 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 172.5 | -73 | 0 | 0 | 0 | 0 | 112.1 | I476 A529 R536 C537 | I476-C533 HydrophobicContact CD1-CB 3.67Å; I476-C533 WeakPolarHBondContact CD1-SG 3.46Å; A529-C533 WeakPolarHBondContact O-CB 3.48Å; A529-C533 PolarHBondContact O-N 3.29Å; A529-C533 PolarHBondContact O-SG 2.94Å; C533-R536 PolarHBondContact O-N 3.03Å; C533-C537 PolarHBondContact O-N 3.19Å; C533-C537 PolarHBondContact O-SG 3.21Å |
| 534 | A | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.5 | -52 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F423 F479 W501 A530 L531 R536 C537 F538 | F423-A534 HydrophobicContact CB-CB 3.75Å; F423-A534 HydrophobicContact CD1-CB 3.98Å; F423-A534 HydrophobicContact CD2-CB 4.22Å; F423-A534 HydrophobicContact CG-CB 3.73Å; F479-A534 HydrophobicContact CE2-CB 3.78Å; F479-A534 HydrophobicContact CZ-CB 3.94Å; W501-A534 HydrophobicContact CZ3-CB 4.18Å; A530-A534 WeakPolarHBondContact O-CB 3.3Å; A530-A534 PolarHBondContact O-N 3.02Å; L531-A534 WeakPolarHBondContact O-CB 3.33Å; L531-A534 PolarHBondContact O-N 3.26Å; A534-R536 VanDerWaalsContact C-N 3.27Å; A534-R536 PolarHBondContact O-N 2.91Å; A534-C537 PolarHBondContact O-N 3.12Å; A534-F538 WeakPolarHBondContact O-CD2 3.35Å; A534-F538 PolarHBondContact O-N 2.64Å |
| 535 | A | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -53.8 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W501 L504 A505 L531 T532 C537 F538 G539 Y540 | W501-A535 HydrophobicContact CE3-CB 3.9Å; W501-A535 HydrophobicContact CZ3-CB 4.4Å; L504-A535 HydrophobicContact CB-CB 4.13Å; A505-A535 HydrophobicContact CB-CB 4.37Å; L531-A535 PolarHBondContact O-N 2.75Å; T532-A535 PolarHBondContact O-N 2.69Å; A535-C537 PolarHBondContact O-N 3.49Å; A535-F538 CarbonylContact O-C 3.45Å; A535-F538 PolarHBondContact O-N 2.81Å; A535-G539 PolarHBondContact O-N 3.09Å; A535-Y540 CarbonylContact C-O 3.55Å; A535-Y540 CarbonylContact O-C 3.51Å; A535-Y540 PolarHBondContact O-N 2.91Å |
| 536 | R | 92.6 | Very high | 89 | Confident | 19 Ų | 19 | 14.2 Ų | 14.2 | 7% | 0.072 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.3 | -45.3 | 174.9 | 166.5 | 174.9 | 172.8 | 179.5 | -0.2 | 112.8 | N472 W474 L519 Y521 T532 C533 A534 F538 G539 Y540 V541 | N472-R536 PolarHBondContact ND2-O 3.08Å; W474-R536 HydrophobicContact CB-CG 4.3Å; W474-R536 VanDerWaalsContact O-CZ 3.24Å; W474-R536 PolarHBondContact O-NE 2.84Å; W474-R536 PolarHBondContact O-NH2 3.13Å; L519-R536 PolarHBondContact O-NH1 2.86Å; L519-R536 PolarHBondContact O-NH2 2.84Å; L519-R536 VanDerWaalsContact O-NH2 3.12Å; Y521-R536 HydrophobicContact CE2-CB 3.94Å; Y521-R536 HydrophobicContact CE2-CG 4.38Å; T532-R536 VanDerWaalsContact O-CB 3.31Å; T532-R536 WeakPolarHBondContact O-CB 3.35Å; T532-R536 PolarHBondContact O-N 3.14Å; C533-R536 PolarHBondContact O-N 3.03Å; A534-R536 VanDerWaalsContact C-N 3.27Å; A534-R536 PolarHBondContact O-N 2.91Å; R536-F538 VanDerWaalsContact C-N 3.33Å; R536-F538 PolarHBondContact O-N 2.87Å; R536-G539 PolarHBondContact O-N 2.81Å; R536-Y540 WeakPolarHBondContact CA-O 3.44Å; R536-Y540 PolarHBondContact N-O 3.34Å; R536-V541 HydrophobicContact CB-CG2 4.45Å; R536-V541 HydrophobicContact CG-CG1 4.09Å; R536-V541 HydrophobicContact CG-CG2 4.09Å |
| 537 | C | 90.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.9 | -35.4 | -179.4 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | F469 N472 F479 C533 A534 A535 G539 | F469-C537 HydrophobicContact CD1-CB 4.41Å; F469-C537 WeakPolarHBondContact CD1-O 3.45Å; F469-C537 HydrophobicContact CE1-CB 4.41Å; F469-C537 HydrophobicContact CG-CB 4.49Å; N472-C537 PolarHBondContact ND2-O 2.89Å; F479-C537 VanDerWaalsContact CB-SG 3.58Å; F479-C537 HydrophobicContact CD1-CB 3.57Å; F479-C537 HydrophobicContact CE1-CB 3.84Å; F479-C537 HydrophobicContact CG-CB 4.12Å; F479-C537 VanDerWaalsContact CG-SG 3.58Å; C533-C537 PolarHBondContact O-N 3.19Å; C533-C537 PolarHBondContact O-SG 3.21Å; A534-C537 PolarHBondContact O-N 3.12Å; A535-C537 PolarHBondContact O-N 3.49Å; C537-G539 PolarHBondContact O-N 3.49Å |
| 538 | F | 91.2 | Very high | 89 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 2% | 0.022 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.8 | 174.9 | -77.2 | -82.4 | 0 | 0 | 0 | 114.4 | F469 F479 F481 L486 L487 T490 W501 A534 A535 R536 | F469-F538 HydrophobicContact CE1-CD1 4.1Å; F469-F538 HydrophobicContact CE1-CD2 4.46Å; F469-F538 HydrophobicContact CE1-CE1 4.02Å; F469-F538 HydrophobicContact CE1-CE2 4.4Å; F469-F538 HydrophobicContact CE1-CG 4.32Å; F469-F538 HydrophobicContact CE1-CZ 4.18Å; F469-F538 HydrophobicContact CZ-CE1 4.25Å; F469-F538 HydrophobicContact CZ-CE2 4.16Å; F469-F538 AromaticContact CZ-CZ 3.97Å; F469-F538 HydrophobicContact CZ-CZ 3.97Å; F479-F538 AromaticContact CE1-CE2 3.99Å; F479-F538 HydrophobicContact CE1-CE2 3.99Å; F479-F538 HydrophobicContact CZ-CE2 4.04Å; F481-F538 HydrophobicContact CB-CZ 4.49Å; F481-F538 HydrophobicContact CD1-CE2 4.44Å; F481-F538 AromaticContact CD1-CZ 3.67Å; F481-F538 HydrophobicContact CD1-CZ 3.67Å; F481-F538 AromaticContact CE1-CZ 3.97Å; F481-F538 HydrophobicContact CE1-CZ 3.97Å; F481-F538 HydrophobicContact CG-CE2 4.42Å; F481-F538 HydrophobicContact CG-CZ 4.06Å; L486-F538 HydrophobicContact CB-CE1 4.31Å; L486-F538 HydrophobicContact CD2-CE1 4.13Å; L486-F538 HydrophobicContact CD2-CE2 4.24Å; L486-F538 HydrophobicContact CD2-CZ 3.78Å; L486-F538 HydrophobicContact CG-CE1 3.91Å; L486-F538 HydrophobicContact CG-CZ 4.09Å; L487-F538 HydrophobicContact CB-CE1 4.15Å; L487-F538 HydrophobicContact CD1-CD1 4.18Å; L487-F538 HydrophobicContact CD1-CE1 4.33Å; T490-F538 HydrophobicContact CG2-CB 4.34Å; T490-F538 WeakPolarHBondContact CG2-O 3.29Å; W501-F538 HydrophobicContact CD2-CB 4.21Å; W501-F538 AromaticContact CE2-CG 3.9Å; W501-F538 HydrophobicContact CH2-CB 4.14Å; W501-F538 AromaticContact CH2-CD2 3.22Å; W501-F538 HydrophobicContact CH2-CD2 3.22Å; W501-F538 AromaticContact CH2-CE2 3.67Å; W501-F538 HydrophobicContact CH2-CE2 3.67Å; W501-F538 AromaticContact CH2-CG 3.74Å; W501-F538 HydrophobicContact CH2-CG 3.74Å; W501-F538 HydrophobicContact CH2-CZ 4.49Å; W501-F538 HydrophobicContact CZ2-CB 3.71Å; W501-F538 AromaticContact CZ2-CD1 3.84Å; W501-F538 HydrophobicContact CZ2-CD1 3.84Å; W501-F538 AromaticContact CZ2-CD2 3.34Å; W501-F538 HydrophobicContact CZ2-CD2 3.34Å; W501-F538 HydrophobicContact CZ2-CE1 4.29Å; W501-F538 AromaticContact CZ2-CE2 3.84Å; W501-F538 HydrophobicContact CZ2-CE2 3.84Å; W501-F538 AromaticContact CZ2-CG 3.34Å; W501-F538 HydrophobicContact CZ2-CG 3.34Å; W501-F538 HydrophobicContact CZ2-CZ 4.28Å; W501-F538 HydrophobicContact CZ3-CD2 4.05Å; A534-F538 WeakPolarHBondContact O-CD2 3.35Å; A534-F538 PolarHBondContact O-N 2.64Å; A535-F538 CarbonylContact O-C 3.45Å; A535-F538 PolarHBondContact O-N 2.81Å; R536-F538 VanDerWaalsContact C-N 3.33Å; R536-F538 PolarHBondContact O-N 2.87Å |
| 539 | G | 90 | Very high | 89.2 | Confident | 8 Ų | 8 | 23.4 Ų | 23.4 | 8% | 0.082 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | 10.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A535 R536 C537 E553 M555 | A535-G539 PolarHBondContact O-N 3.09Å; R536-G539 PolarHBondContact O-N 2.81Å; C537-G539 PolarHBondContact O-N 3.49Å; G539-E553 VanDerWaalsContact O-O 3.1Å; G539-M555 PolarHBondContact O-N 3.44Å |
| 540 | Y | 93.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 86.2 | 174.5 | -68.3 | -104.4 | 0 | 0 | 0 | 108.7 | T490 E498 W501 R502 A535 R536 V554 | T490-Y540 HydrophobicContact CG2-CE2 3.89Å; E498-Y540 WeakPolarHBondContact CB-OH 3.47Å; E498-Y540 HydrophobicContact CG-CE1 4.12Å; E498-Y540 WeakPolarHBondContact CG-OH 3.43Å; W501-Y540 HydrophobicContact CB-CD1 3.77Å; W501-Y540 HydrophobicContact CB-CD2 3.42Å; W501-Y540 VanDerWaalsContact CB-CD2 3.42Å; W501-Y540 HydrophobicContact CB-CE1 3.98Å; W501-Y540 HydrophobicContact CB-CE2 3.67Å; W501-Y540 HydrophobicContact CB-CG 3.49Å; W501-Y540 VanDerWaalsContact CB-CG 3.49Å; W501-Y540 AromaticContact CD1-CD2 3.95Å; W501-Y540 AromaticContact CD1-CE2 3.64Å; W501-Y540 AromaticContact CG-CD2 3.75Å; W501-Y540 HydrophobicContact CG-CD2 3.75Å; W501-Y540 AromaticContact CG-CE2 3.87Å; W501-Y540 HydrophobicContact CG-CE2 3.87Å; W501-Y540 HydrophobicContact CG-CG 4.29Å; R502-Y540 HydrophobicContact CG-CD1 4.16Å; R502-Y540 HydrophobicContact CG-CE1 3.96Å; A535-Y540 CarbonylContact C-O 3.55Å; A535-Y540 CarbonylContact O-C 3.51Å; A535-Y540 PolarHBondContact O-N 2.91Å; R536-Y540 WeakPolarHBondContact CA-O 3.44Å; R536-Y540 PolarHBondContact N-O 3.34Å; Y540-V554 HydrophobicContact CD1-CB 4.46Å; Y540-V554 HydrophobicContact CD1-CG1 3.95Å; Y540-V554 HydrophobicContact CD1-CG2 3.96Å; Y540-V554 HydrophobicContact CE1-CB 4.48Å; Y540-V554 HydrophobicContact CE1-CG1 3.53Å; Y540-V554 HydrophobicContact CE1-CG2 4.24Å |
| 541 | V | 93.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.5 | -166.8 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | W474 L519 Y521 R536 L543 I552 E553 | W474-V541 HydrophobicContact CB-CG1 4.11Å; W474-V541 HydrophobicContact CB-CG2 4Å; W474-V541 HydrophobicContact CG-CG1 3.96Å; W474-V541 HydrophobicContact CG-CG2 4.19Å; L519-V541 HydrophobicContact CD2-CG1 3.59Å; Y521-V541 WeakPolarHBondContact OH-CG1 3.44Å; R536-V541 HydrophobicContact CB-CG2 4.45Å; R536-V541 HydrophobicContact CG-CG1 4.09Å; R536-V541 HydrophobicContact CG-CG2 4.09Å; V541-L543 HydrophobicContact CG1-CD2 4.11Å; V541-L543 PolarHBondContact O-N 3.24Å; V541-I552 CarbonylContact O-C 3.46Å; V541-I552 VanDerWaalsContact O-CA 3.25Å; V541-I552 WeakPolarHBondContact O-CA 3.28Å; V541-E553 HydrophobicContact CB-CB 4.24Å; V541-E553 PolarHBondContact N-O 3.05Å; V541-E553 PolarHBondContact O-N 2.89Å |
| 542 | F | 93.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 119.6 | 168 | 168.7 | -115.7 | 0 | 0 | 0 | 110.1 | H508 V510 Y521 S544 R545 I550 I552 | H508-F542 AromaticContact CE1-CD1 3.62Å; H508-F542 AromaticContact CE1-CD2 3.89Å; H508-F542 AromaticContact CE1-CE1 3.86Å; H508-F542 AromaticContact CE1-CG 3.63Å; H508-F542 AromaticContact NE2-CG 3.77Å; V510-F542 WeakPolarHBondContact O-CE1 3.45Å; V510-F542 WeakPolarHBondContact O-CZ 3.24Å; Y521-F542 HydrophobicContact CD1-CD1 4.46Å; Y521-F542 HydrophobicContact CE1-CB 4.42Å; Y521-F542 AromaticContact CE1-CD1 3.98Å; Y521-F542 HydrophobicContact CE1-CD1 3.98Å; Y521-F542 VanDerWaalsContact CE1-O 3.22Å; Y521-F542 WeakPolarHBondContact CE1-O 3.49Å; Y521-F542 WeakPolarHBondContact OH-CA 3.46Å; Y521-F542 PolarHBondContact OH-N 3.45Å; Y521-F542 PolarHBondContact OH-O 3.49Å; F542-S544 VanDerWaalsContact CE2-O 3.29Å; F542-S544 WeakPolarHBondContact CE2-O 3.31Å; F542-R545 HydrophobicContact CE2-CB 3.94Å; F542-R545 HydrophobicContact CZ-CB 3.84Å; F542-I550 HydrophobicContact CD2-CG2 3.95Å; F542-I550 HydrophobicContact CE2-CG2 3.91Å; F542-I552 HydrophobicContact CD2-CG2 4.48Å |
| 543 | L | 88.9 | Confident | 89.5 | Confident | 32 Ų | 32 | 22.6 Ų | 22.6 | 17% | 0.168 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -51.6 | -175.3 | -70.3 | -179.1 | 0 | 0 | 0 | 112.6 | W474 S512 L519 V541 T551 E553 E558 | W474-L543 HydrophobicContact CZ2-CD2 4.47Å; S512-L543 VanDerWaalsContact CB-O 3.29Å; S512-L543 WeakPolarHBondContact CB-O 3.45Å; S512-L543 VanDerWaalsContact OG-C 3.32Å; S512-L543 PolarHBondContact OG-O 2.99Å; L519-L543 HydrophobicContact CD2-CD2 4.49Å; V541-L543 HydrophobicContact CG1-CD2 4.11Å; V541-L543 PolarHBondContact O-N 3.24Å; L543-T551 HydrophobicContact CB-CG2 4.33Å; L543-T551 HydrophobicContact CD1-CG2 4.26Å; L543-T551 PolarHBondContact N-O 3.13Å; L543-E553 HydrophobicContact CD1-CB 3.87Å; L543-E553 HydrophobicContact CD2-CB 4.46Å; L543-E553 HydrophobicContact CG-CB 4.08Å; L543-E558 HydrophobicContact CD1-CG 4.22Å |
| 544 | S | 85.5 | Confident | 89.5 | Confident | 43 Ų | 43 | 21.4 Ų | 21.4 | 30% | 0.301 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 163 | -178.8 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | S512 F542 T551 | S512-S544 WeakPolarHBondContact OG-CA 3.43Å; F542-S544 VanDerWaalsContact CE2-O 3.29Å; F542-S544 WeakPolarHBondContact CE2-O 3.31Å; S544-T551 PolarHBondContact N-O 2.81Å; S544-T551 PolarHBondContact O-N 3.39Å |
| 545 | R | 82.4 | Confident | 89.2 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.7 | 175.7 | -179 | 176.2 | -59.7 | -173.6 | -1.2 | 109.7 | H508 F542 S549 I550 I1207 M1213 | H508-R545 PolarHBondContact CE1-NH2 3.25Å; H508-R545 PolarHBondContact ND1-NH2 3.34Å; H508-R545 VanDerWaalsContact O-CZ 3.31Å; H508-R545 PolarHBondContact O-NH1 3.37Å; H508-R545 PolarHBondContact O-NH2 2.9Å; F542-R545 HydrophobicContact CE2-CB 3.94Å; F542-R545 HydrophobicContact CZ-CB 3.84Å; R545-S549 CarbonylContact C-O 3.6Å; R545-S549 WeakPolarHBondContact CA-O 3.43Å; R545-S549 WeakPolarHBondContact CG-O 3.49Å; R545-I550 HydrophobicContact CG-CG1 4Å; R545-I1207 VanDerWaalsContact CD-CG2 3.46Å; R545-I1207 HydrophobicContact CG-CG2 4.32Å; R545-M1213 HydrophobicContact CG-CE 4.4Å |
| 546 | T | 81 | Confident | 88.8 | Confident | 60 Ų | 60 | 28.3 Ų | 28.3 | 37% | 0.368 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 168.6 | 163 | 78.2 | 0 | 0 | 0 | 0 | 108.9 | K548 S549 M1213 | T546-K548 PolarHBondContact O-N 3.45Å; T546-K548 PolarHBondContact OG1-N 3.22Å; T546-S549 PolarHBondContact N-O 2.87Å; T546-S549 PolarHBondContact O-N 3.35Å; T546-S549 VanDerWaalsContact O-O 3.09Å; T546-S549 PolarHBondContact OG1-N 2.89Å; T546-S549 PolarHBondContact OG1-OG 3.1Å; T546-M1213 WeakPolarHBondContact CA-SD 3.17Å |
| 547 | P | 79.3 | Confident | 88.6 | Confident | 47 Ų | 47 | 30 Ų | 30 | 31% | 0.305 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.4 | 179.5 | -21.3 | 34.7 | 0 | 0 | 0 | 113.2 | M1213 | P547-M1213 HydrophobicContact CB-CE 4.13Å; P547-M1213 WeakPolarHBondContact CD-SD 3.5Å; P547-M1213 HydrophobicContact CG-CE 3.69Å; P547-M1213 HydrophobicContact CG-SD 3.8Å; P547-M1213 VanDerWaalsContact N-CE 3.26Å; P547-M1213 VanDerWaalsContact N-SD 3.43Å |
| 548 | K | 82.9 | Confident | 88.6 | Confident | 164 Ų | 164 | 36.3 Ų | 36.3 | 71% | 0.713 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.4 | 0.2 | -177.7 | -61.4 | -171.2 | 176.2 | -172.3 | 0 | 114.3 | T546 L563 | T546-K548 PolarHBondContact O-N 3.45Å; T546-K548 PolarHBondContact OG1-N 3.22Å; K548-L563 PolarHBondContact O-N 2.95Å |
| 549 | S | 88.8 | Confident | 88.7 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148.3 | -177.9 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | R545 T546 Y561 | R545-S549 CarbonylContact C-O 3.6Å; R545-S549 WeakPolarHBondContact CA-O 3.43Å; R545-S549 WeakPolarHBondContact CG-O 3.49Å; T546-S549 PolarHBondContact N-O 2.87Å; T546-S549 PolarHBondContact O-N 3.35Å; T546-S549 VanDerWaalsContact O-O 3.09Å; T546-S549 PolarHBondContact OG1-N 2.89Å; T546-S549 PolarHBondContact OG1-OG 3.1Å; S549-Y561 CarbonylContact C-O 3.49Å; S549-Y561 WeakPolarHBondContact CA-O 2.91Å; S549-Y561 WeakPolarHBondContact CB-O 3.47Å |
| 550 | I | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.3 | 170.6 | -61.6 | 175.5 | 0 | 0 | 0 | 107.6 | L506 F542 R545 I552 Y561 L563 V578 | L506-I550 HydrophobicContact CD2-CB 4.35Å; L506-I550 HydrophobicContact CD2-CG2 3.87Å; F542-I550 HydrophobicContact CD2-CG2 3.95Å; F542-I550 HydrophobicContact CE2-CG2 3.91Å; R545-I550 HydrophobicContact CG-CG1 4Å; I550-I552 HydrophobicContact CG2-CG2 4.06Å; I550-Y561 PolarHBondContact N-O 2.87Å; I550-Y561 PolarHBondContact O-N 3.44Å; I550-L563 HydrophobicContact CD1-CD1 3.92Å; I550-L563 HydrophobicContact CD1-CD2 4.4Å; I550-L563 HydrophobicContact CG1-CB 4.32Å; I550-L563 HydrophobicContact CG1-CD2 4.35Å; I550-V578 HydrophobicContact CD1-CG1 4.48Å |
| 551 | T | 91.5 | Very high | 88.6 | Confident | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.6 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | L543 S544 E558 E559 V560 | L543-T551 HydrophobicContact CB-CG2 4.33Å; L543-T551 HydrophobicContact CD1-CG2 4.26Å; L543-T551 PolarHBondContact N-O 3.13Å; S544-T551 PolarHBondContact N-O 2.81Å; S544-T551 PolarHBondContact O-N 3.39Å; T551-E558 HydrophobicContact CG2-CG 3.52Å; T551-E558 WeakPolarHBondContact CG2-OE1 3.2Å; T551-E559 WeakPolarHBondContact CA-O 3.34Å; T551-V560 HydrophobicContact CG2-CG2 4.28Å |
| 552 | I | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.3 | 175.8 | 64.9 | 171.6 | 0 | 0 | 0 | 110.2 | A505 L506 V541 F542 I550 V554 E559 Y561 | A505-I552 HydrophobicContact CB-CG2 4.49Å; L506-I552 HydrophobicContact CD2-CD1 4.17Å; L506-I552 HydrophobicContact CD2-CG2 3.97Å; L506-I552 HydrophobicContact CG-CD1 4.38Å; V541-I552 CarbonylContact O-C 3.46Å; V541-I552 VanDerWaalsContact O-CA 3.25Å; V541-I552 WeakPolarHBondContact O-CA 3.28Å; F542-I552 HydrophobicContact CD2-CG2 4.48Å; I550-I552 HydrophobicContact CG2-CG2 4.06Å; I552-V554 HydrophobicContact CD1-CG2 3.67Å; I552-V554 HydrophobicContact CG1-CG2 3.98Å; I552-E559 HydrophobicContact CG1-CB 4.26Å; I552-E559 PolarHBondContact N-O 2.99Å; I552-E559 PolarHBondContact O-N 2.75Å; I552-Y561 HydrophobicContact CD1-CD2 4.23Å; I552-Y561 HydrophobicContact CD1-CE2 3.64Å; I552-Y561 HydrophobicContact CG1-CD2 4.15Å; I552-Y561 HydrophobicContact CG1-CE2 3.91Å |
| 553 | E | 92.5 | Very high | 88.5 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.2 | 169.1 | 175.1 | -176.7 | 156.1 | 0 | 0 | 108.3 | R473 W474 G539 V541 L543 A557 | R473-E553 IonicContact CZ-OE1 3.46Å; R473-E553 IonicContact CZ-OE2 2.81Å; R473-E553 IonicContact NE-OE1 3.59Å; R473-E553 PolarHBondContact NE-OE1 3Å; R473-E553 IonicContact NE-OE2 2.74Å; R473-E553 VanDerWaalsContact NH2-CD 3.26Å; R473-E553 IonicContact NH2-OE1 2.71Å; R473-E553 PolarHBondContact NH2-OE1 2.84Å; R473-E553 IonicContact NH2-OE2 3.73Å; R473-E553 PolarHBondContact NH2-OE2 3.2Å; W474-E553 PolarHBondContact NE1-OE1 3.34Å; W474-E553 PolarHBondContact NE1-OE2 3.17Å; G539-E553 VanDerWaalsContact O-O 3.1Å; V541-E553 HydrophobicContact CB-CB 4.24Å; V541-E553 PolarHBondContact N-O 3.05Å; V541-E553 PolarHBondContact O-N 2.89Å; L543-E553 HydrophobicContact CD1-CB 3.87Å; L543-E553 HydrophobicContact CD2-CB 4.46Å; L543-E553 HydrophobicContact CG-CB 4.08Å; E553-A557 CarbonylContact C-O 3.58Å; E553-A557 WeakPolarHBondContact CA-O 3.49Å |
| 554 | V | 91.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109.2 | 178.6 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | Y540 I552 G556 A557 E559 | Y540-V554 HydrophobicContact CD1-CB 4.46Å; Y540-V554 HydrophobicContact CD1-CG1 3.95Å; Y540-V554 HydrophobicContact CD1-CG2 3.96Å; Y540-V554 HydrophobicContact CE1-CB 4.48Å; Y540-V554 HydrophobicContact CE1-CG1 3.53Å; Y540-V554 HydrophobicContact CE1-CG2 4.24Å; I552-V554 HydrophobicContact CD1-CG2 3.67Å; I552-V554 HydrophobicContact CG1-CG2 3.98Å; V554-G556 PolarHBondContact O-N 2.73Å; V554-G556 VanDerWaalsContact O-N 3.13Å; V554-A557 PolarHBondContact N-O 3.03Å; V554-A557 PolarHBondContact O-N 2.95Å; V554-E559 HydrophobicContact CG2-CG 4.45Å |
| 555 | M | 85.4 | Confident | 88.7 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 44% | 0.443 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.2 | 178.5 | -60 | -63.3 | -70.3 | 0 | 0 | 113.4 | K491 G539 | K491-M555 HydrophobicContact CG-CE 4.46Å; G539-M555 PolarHBondContact O-N 3.44Å |
| 556 | G | 84.2 | Confident | 88.9 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -10.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V554 | V554-G556 PolarHBondContact O-N 2.73Å; V554-G556 VanDerWaalsContact O-N 3.13Å |
| 557 | A | 90 | Very high | 89.3 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E553 V554 | E553-A557 CarbonylContact C-O 3.58Å; E553-A557 WeakPolarHBondContact CA-O 3.49Å; V554-A557 PolarHBondContact N-O 3.03Å; V554-A557 PolarHBondContact O-N 2.95Å |
| 558 | E | 90.7 | Very high | 89.5 | Confident | 134 Ų | 134 | 40.2 Ų | 40.2 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.3 | 176.7 | -169.4 | 177.3 | 155.7 | 0 | 0 | 110.9 | L543 T551 | L543-E558 HydrophobicContact CD1-CG 4.22Å; T551-E558 HydrophobicContact CG2-CG 3.52Å; T551-E558 WeakPolarHBondContact CG2-OE1 3.2Å |
| 559 | E | 92 | Very high | 89.5 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.9 | 177.7 | -61.4 | -177.7 | 167.3 | 0 | 0 | 109.7 | R502 T551 I552 V554 Y561 R582 | R502-E559 IonicContact CZ-OE1 3.93Å; R502-E559 IonicContact CZ-OE2 2.75Å; R502-E559 IonicContact NH1-OE1 3.43Å; R502-E559 IonicContact NH1-OE2 3.26Å; R502-E559 PolarHBondContact NH1-OE2 3.49Å; R502-E559 IonicContact NH2-OE1 3.05Å; R502-E559 PolarHBondContact NH2-OE1 2.78Å; R502-E559 IonicContact NH2-OE2 3.28Å; R502-E559 PolarHBondContact NH2-OE2 2.7Å; T551-E559 WeakPolarHBondContact CA-O 3.34Å; I552-E559 HydrophobicContact CG1-CB 4.26Å; I552-E559 PolarHBondContact N-O 2.99Å; I552-E559 PolarHBondContact O-N 2.75Å; V554-E559 HydrophobicContact CG2-CG 4.45Å; E559-Y561 HydrophobicContact CB-CE2 4.18Å; E559-R582 IonicContact OE1-CZ 3.53Å; E559-R582 IonicContact OE1-NH1 3.39Å; E559-R582 PolarHBondContact OE1-NH1 3.42Å; E559-R582 IonicContact OE1-NH2 2.93Å; E559-R582 PolarHBondContact OE1-NH2 3.29Å; E559-R582 IonicContact OE2-CZ 3.08Å; E559-R582 IonicContact OE2-NE 3.91Å; E559-R582 IonicContact OE2-NH1 2.88Å; E559-R582 PolarHBondContact OE2-NH1 2.91Å; E559-R582 IonicContact OE2-NH2 3.37Å; E559-R582 PolarHBondContact OE2-NH2 2.74Å |
| 560 | V | 91.1 | Very high | 88.7 | Confident | 85 Ų | 85 | 32.1 Ų | 32.1 | 52% | 0.515 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.5 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | T551 | T551-V560 HydrophobicContact CG2-CG2 4.28Å |
| 561 | Y | 92.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.3 | 174.9 | -77.4 | -101.2 | 0 | 0 | 0 | 109.6 | R502 L506 S549 I550 I552 E559 L563 V580 R582 | R502-Y561 PolarHBondContact NH1-OH 2.71Å; L506-Y561 HydrophobicContact CD1-CD1 4Å; L506-Y561 HydrophobicContact CD1-CE1 3.67Å; L506-Y561 HydrophobicContact CD1-CE2 4.27Å; L506-Y561 HydrophobicContact CD1-CG 4.39Å; L506-Y561 HydrophobicContact CD2-CD1 4.31Å; L506-Y561 HydrophobicContact CD2-CD2 3.9Å; L506-Y561 HydrophobicContact CD2-CE2 4.28Å; L506-Y561 HydrophobicContact CD2-CG 3.92Å; S549-Y561 CarbonylContact C-O 3.49Å; S549-Y561 WeakPolarHBondContact CA-O 2.91Å; S549-Y561 WeakPolarHBondContact CB-O 3.47Å; I550-Y561 PolarHBondContact N-O 2.87Å; I550-Y561 PolarHBondContact O-N 3.44Å; I552-Y561 HydrophobicContact CD1-CD2 4.23Å; I552-Y561 HydrophobicContact CD1-CE2 3.64Å; I552-Y561 HydrophobicContact CG1-CD2 4.15Å; I552-Y561 HydrophobicContact CG1-CE2 3.91Å; E559-Y561 HydrophobicContact CB-CE2 4.18Å; Y561-L563 PolarHBondContact O-N 3.49Å; Y561-V580 HydrophobicContact CD1-CB 3.87Å; Y561-V580 HydrophobicContact CD1-CG1 4.46Å; Y561-V580 HydrophobicContact CD1-CG2 3.61Å; Y561-V580 HydrophobicContact CE1-CG2 4.05Å; Y561-R582 HydrophobicContact CD1-CB 3.88Å; Y561-R582 HydrophobicContact CE1-CB 3.78Å; Y561-R582 HydrophobicContact CE1-CG 4.29Å; Y561-R582 WeakPolarHBondContact OH-CD 3.41Å; Y561-R582 PolarHBondContact OH-NH1 3.07Å; Y561-R582 VanDerWaalsContact OH-NH1 3.11Å |
| 562 | E | 92.4 | Very high | 86.6 | Confident | 88 Ų | 88 | 41 Ų | 41 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 120.6 | 168.4 | -176 | -174.2 | -174.7 | 0 | 0 | 108.2 | L564 V580 R581 | E562-L564 HydrophobicContact CG-CD2 4.02Å; E562-V580 CarbonylContact O-C 3.56Å; E562-V580 WeakPolarHBondContact O-CA 3.42Å; E562-R581 HydrophobicContact CB-CB 4.16Å; E562-R581 VanDerWaalsContact CD-NH1 3.34Å; E562-R581 PolarHBondContact N-O 3.14Å; E562-R581 PolarHBondContact O-N 3.3Å; E562-R581 IonicContact OE1-NH1 3.31Å; E562-R581 PolarHBondContact OE1-NH1 3.2Å; E562-R581 WeakPolarHBondContact OE2-CD 3.47Å; E562-R581 IonicContact OE2-CZ 2.72Å; E562-R581 IonicContact OE2-NE 3.65Å; E562-R581 IonicContact OE2-NH1 2.72Å; E562-R581 PolarHBondContact OE2-NH1 2.91Å |
| 563 | L | 90.1 | Very high | 86.1 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 113.3 | 178.3 | 178 | 62.3 | 0 | 0 | 0 | 108.7 | K548 I550 Y561 I566 V578 V580 | K548-L563 PolarHBondContact O-N 2.95Å; I550-L563 HydrophobicContact CD1-CD1 3.92Å; I550-L563 HydrophobicContact CD1-CD2 4.4Å; I550-L563 HydrophobicContact CG1-CB 4.32Å; I550-L563 HydrophobicContact CG1-CD2 4.35Å; Y561-L563 PolarHBondContact O-N 3.49Å; L563-I566 HydrophobicContact CD1-CD1 4.35Å; L563-I566 HydrophobicContact CD1-CG1 3.83Å; L563-I566 HydrophobicContact CD2-CD1 3.89Å; L563-I566 HydrophobicContact CD2-CG1 4.13Å; L563-I566 HydrophobicContact CG-CG1 4.41Å; L563-V578 HydrophobicContact CD1-CG1 3.59Å; L563-V580 HydrophobicContact CD1-CG1 4.38Å |
| 564 | L | 89.8 | Confident | 85.6 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -49.1 | -179.4 | -59.7 | -179.9 | 0 | 0 | 0 | 111.4 | E562 I579 R581 T586 F640 | E562-L564 HydrophobicContact CG-CD2 4.02Å; L564-I579 HydrophobicContact CB-CB 4.47Å; L564-I579 HydrophobicContact CB-CG2 4.23Å; L564-I579 HydrophobicContact CD1-CG2 4.11Å; L564-I579 PolarHBondContact N-O 2.91Å; L564-R581 HydrophobicContact CD1-CB 4.04Å; L564-R581 HydrophobicContact CG-CB 4.34Å; L564-T586 HydrophobicContact CD1-CG2 3.74Å; L564-F640 HydrophobicContact CB-CE1 3.96Å; L564-F640 HydrophobicContact CB-CZ 3.67Å; L564-F640 HydrophobicContact CD1-CD1 4.04Å; L564-F640 HydrophobicContact CD1-CE1 3.69Å; L564-F640 HydrophobicContact CD1-CZ 4.04Å; L564-F640 HydrophobicContact CG-CE1 4.31Å; L564-F640 HydrophobicContact CG-CZ 4.46Å |
| 565 | C | 88.7 | Confident | 85.5 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.081 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 146.2 | -178.4 | -167 | 0 | 0 | 0 | 0 | 111.8 | I579 | C565-I579 HydrophobicContact CB-CB 4.37Å; C565-I579 HydrophobicContact CB-CD1 4.31Å; C565-I579 PolarHBondContact N-O 3.43Å; C565-I579 PolarHBondContact O-N 3.4Å |
| 566 | I | 88.6 | Confident | 85.8 | Confident | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.046 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114.4 | 168.3 | -60.1 | 179.8 | 0 | 0 | 0 | 107.2 | L563 D568 M576 V578 I1207 | L563-I566 HydrophobicContact CD1-CD1 4.35Å; L563-I566 HydrophobicContact CD1-CG1 3.83Å; L563-I566 HydrophobicContact CD2-CD1 3.89Å; L563-I566 HydrophobicContact CD2-CG1 4.13Å; L563-I566 HydrophobicContact CG-CG1 4.41Å; I566-D568 PolarHBondContact O-N 3.26Å; I566-M576 HydrophobicContact CG2-CE 3.8Å; I566-V578 HydrophobicContact CG1-CG2 4.32Å; I566-V578 HydrophobicContact CG2-CG2 4.34Å; I566-I1207 HydrophobicContact CD1-CG2 4.17Å |
| 567 | L | 89.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 94.3 | 169.2 | -58.3 | -174.3 | 0 | 0 | 0 | 107.8 | S577 W643 Y647 C665 I668 E669 | L567-S577 PolarHBondContact N-O 3.31Å; L567-S577 PolarHBondContact O-N 3.15Å; L567-W643 HydrophobicContact CD1-CZ2 4.43Å; L567-W643 HydrophobicContact CD2-CH2 3.88Å; L567-W643 HydrophobicContact CD2-CZ2 4.23Å; L567-Y647 HydrophobicContact CD2-CE2 4.03Å; L567-C665 HydrophobicContact CD1-CB 4.19Å; L567-I668 HydrophobicContact CD1-CG2 4.03Å; L567-E669 HydrophobicContact CD1-CG 4.25Å |
| 568 | D | 83.5 | Confident | 86.4 | Confident | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | trans | -60.4 | 154.2 | -170.8 | -152.6 | 0.9 | 0 | 0 | 0 | 112.3 | I566 N570 R573 H1199 G1202 F1203 G1204 | I566-D568 PolarHBondContact O-N 3.26Å; D568-N570 PolarHBondContact O-N 2.94Å; D568-R573 PolarHBondContact O-NH1 3.16Å; D568-H1199 IonicContact OD1-CE1 3.21Å; D568-H1199 PolarHBondContact OD1-CE1 3.15Å; D568-H1199 VanDerWaalsContact OD1-CE1 3.29Å; D568-G1202 WeakPolarHBondContact OD2-CA 3.39Å; D568-G1202 PolarHBondContact OD2-N 2.96Å; D568-F1203 PolarHBondContact OD2-N 3.42Å; D568-G1204 PolarHBondContact OD2-N 3.29Å | ||
| 569 | F | 81.2 | Confident | 86.6 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | trans | -66.3 | 132.6 | 174.5 | 178.4 | -97 | 0 | 0 | 0 | 110 | M576 Y1195 F1197 H1199 | F569-M576 HydrophobicContact CB-CB 4.22Å; F569-Y1195 WeakPolarHBondContact CE2-OH 3.4Å; F569-Y1195 WeakPolarHBondContact CZ-OH 3.07Å; F569-F1197 HydrophobicContact CB-CE1 4.26Å; F569-F1197 HydrophobicContact CD1-CD1 4.12Å; F569-F1197 HydrophobicContact CD1-CE1 4.4Å; F569-F1197 AromaticContact CD2-CD1 3.54Å; F569-F1197 HydrophobicContact CD2-CD1 3.54Å; F569-F1197 AromaticContact CD2-CE1 3.78Å; F569-F1197 HydrophobicContact CD2-CE1 3.78Å; F569-F1197 HydrophobicContact CE1-CD1 4.08Å; F569-F1197 HydrophobicContact CE2-CB 4.42Å; F569-F1197 AromaticContact CE2-CD1 3.5Å; F569-F1197 HydrophobicContact CE2-CD1 3.5Å; F569-F1197 VanDerWaalsContact CE2-CD1 3.5Å; F569-F1197 HydrophobicContact CE2-CE1 4.23Å; F569-F1197 HydrophobicContact CE2-CG 4.39Å; F569-F1197 AromaticContact CG-CD1 3.86Å; F569-F1197 HydrophobicContact CG-CD1 3.86Å; F569-F1197 AromaticContact CG-CE1 3.88Å; F569-F1197 HydrophobicContact CG-CE1 3.88Å; F569-F1197 HydrophobicContact CZ-CB 4.35Å; F569-F1197 AromaticContact CZ-CD1 3.77Å; F569-F1197 HydrophobicContact CZ-CD1 3.77Å; F569-H1199 HydrophobicContact CB-CB 4.23Å; F569-H1199 HydrophobicContact CD1-CB 3.7Å; F569-H1199 HydrophobicContact CE1-CB 4.32Å; F569-H1199 HydrophobicContact CG-CB 4.05Å | ||
| 570 | N | 73 | Confident | 86.7 | Confident | 14 Ų | 14 | 26.2 Ų | 26.2 | 8% | 0.075 | 13% | 0.131 | C | C | . | . | trans | -133.7 | 154.2 | 164.5 | 72.2 | 15.2 | 0 | 0 | 0 | 110.1 | D568 F572 R573 K574 D662 | D568-N570 PolarHBondContact O-N 2.94Å; N570-F572 PolarHBondContact O-N 2.88Å; N570-F572 VanDerWaalsContact O-N 3.16Å; N570-F572 PolarHBondContact OD1-N 2.9Å; N570-R573 WeakPolarHBondContact ND2-CD 3.29Å; N570-R573 PolarHBondContact O-N 3.13Å; N570-R573 WeakPolarHBondContact OD1-CA 3.43Å; N570-R573 WeakPolarHBondContact OD1-CB 3.47Å; N570-R573 WeakPolarHBondContact OD1-CD 3.19Å; N570-R573 WeakPolarHBondContact OD1-CG 3.36Å; N570-R573 PolarHBondContact OD1-N 3.44Å; N570-K574 PolarHBondContact O-N 3.45Å; N570-D662 PolarHBondContact ND2-OD1 2.93Å | ||
| 571 | N | 67.9 | Low | 86.8 | Confident | 70 Ų | 70 | 24.8 Ų | 24.8 | 37% | 0.374 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.1 | -177.6 | -72.5 | -34.5 | 0 | 0 | 0 | 113.1 | K574 | N571-K574 WeakPolarHBondContact O-CG 3.24Š|
| 572 | F | 70.2 | Confident | 86.5 | Confident | 128 Ų | 128 | 27.5 Ų | 27.5 | 56% | 0.561 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -51.5 | 177.8 | -69.6 | -75.2 | 0 | 0 | 0 | 112.4 | N570 F714 | N570-F572 PolarHBondContact O-N 2.88Å; N570-F572 VanDerWaalsContact O-N 3.16Å; N570-F572 PolarHBondContact OD1-N 2.9Å; F572-F714 AromaticContact CE1-CD1 3.99Å; F572-F714 HydrophobicContact CE1-CD1 3.99Å; F572-F714 HydrophobicContact CE2-CB 3.94Å; F572-F714 AromaticContact CE2-CD1 3.95Å; F572-F714 HydrophobicContact CE2-CD1 3.95Å; F572-F714 HydrophobicContact CE2-CD2 4.48Å; F572-F714 AromaticContact CE2-CG 3.87Å; F572-F714 HydrophobicContact CE2-CG 3.87Å; F572-F714 HydrophobicContact CZ-CB 3.56Å; F572-F714 AromaticContact CZ-CD1 3.26Å; F572-F714 HydrophobicContact CZ-CD1 3.26Å; F572-F714 HydrophobicContact CZ-CE1 4.04Å; F572-F714 AromaticContact CZ-CG 3.53Å; F572-F714 HydrophobicContact CZ-CG 3.53Å |
| 573 | R | 82.4 | Confident | 86.2 | Confident | 16 Ų | 16 | 30.3 Ų | 30.3 | 6% | 0.06 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -27 | 179.9 | -61.9 | 167.5 | 61 | -140 | -1.9 | 111.8 | D568 N570 R575 V596 D662 E669 | D568-R573 PolarHBondContact O-NH1 3.16Å; N570-R573 WeakPolarHBondContact ND2-CD 3.29Å; N570-R573 PolarHBondContact O-N 3.13Å; N570-R573 WeakPolarHBondContact OD1-CA 3.43Å; N570-R573 WeakPolarHBondContact OD1-CB 3.47Å; N570-R573 WeakPolarHBondContact OD1-CD 3.19Å; N570-R573 WeakPolarHBondContact OD1-CG 3.36Å; N570-R573 PolarHBondContact OD1-N 3.44Å; R573-R575 HydrophobicContact CB-CG 4.18Å; R573-R575 PolarHBondContact O-N 3.15Å; R573-R575 VanDerWaalsContact O-N 3.15Å; R573-R575 PolarHBondContact O-NH1 3.35Å; R573-R575 VanDerWaalsContact O-NH1 3.11Å; R573-V596 WeakPolarHBondContact O-CG1 3.49Å; R573-D662 WeakPolarHBondContact CD-OD1 3.34Å; R573-E669 IonicContact CZ-OE1 2.73Å; R573-E669 IonicContact CZ-OE2 3.54Å; R573-E669 IonicContact NE-OE2 3.99Å; R573-E669 IonicContact NH2-OE1 3.54Å; R573-E669 PolarHBondContact NH2-OE1 2.82Å; R573-E669 IonicContact NH2-OE2 3.51Å; R573-E669 PolarHBondContact NH2-OE2 3.43Å |
| 574 | K | 83.4 | Confident | 85.8 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | trans | 50.9 | 32.6 | -178.4 | -60.3 | -177.4 | 175.4 | -172.9 | 0 | 113.9 | N570 N571 G592 A593 V596 A721 Y1195 | N570-K574 PolarHBondContact O-N 3.45Å; N571-K574 WeakPolarHBondContact O-CG 3.24Å; K574-G592 VanDerWaalsContact O-CA 3.3Å; K574-G592 WeakPolarHBondContact O-CA 3.18Å; K574-A593 HydrophobicContact CB-CB 4.24Å; K574-A593 HydrophobicContact CD-CB 4.43Å; K574-A593 PolarHBondContact O-N 3.28Å; K574-V596 HydrophobicContact CB-CG2 4.15Å; K574-V596 HydrophobicContact CD-CG2 4.23Å; K574-A721 VanDerWaalsContact NZ-CB 3.31Å; K574-Y1195 HydrophobicContact CB-CE1 4.07Å; K574-Y1195 HydrophobicContact CD-CD1 4.45Å; K574-Y1195 HydrophobicContact CD-CE1 4Å; K574-Y1195 HydrophobicContact CG-CE1 4.21Å; K574-Y1195 PolarHBondContact O-OH 3.09Å | ||
| 575 | R | 90 | Very high | 85.8 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 160.2 | 179.1 | 68.4 | -166.7 | 179.1 | -95.9 | 1.7 | 109.9 | R573 K591 I597 R600 E666 E669 | R573-R575 HydrophobicContact CB-CG 4.18Å; R573-R575 PolarHBondContact O-N 3.15Å; R573-R575 VanDerWaalsContact O-N 3.15Å; R573-R575 PolarHBondContact O-NH1 3.35Å; R573-R575 VanDerWaalsContact O-NH1 3.11Å; R575-K591 CarbonylContact C-O 3.57Å; R575-K591 WeakPolarHBondContact CA-O 3.46Å; R575-K591 WeakPolarHBondContact CB-O 3.31Å; R575-I597 HydrophobicContact CB-CD1 4.1Å; R575-R600 VanDerWaalsContact CZ-NE 3.35Å; R575-R600 VanDerWaalsContact NH1-CZ 3.28Å; R575-R600 VanDerWaalsContact NH1-NH2 3.15Å; R575-E666 IonicContact CZ-OE2 2.81Å; R575-E666 IonicContact NH1-OE2 2.63Å; R575-E666 PolarHBondContact NH1-OE2 2.95Å; R575-E666 IonicContact NH2-OE2 2.69Å; R575-E666 PolarHBondContact NH2-OE2 3.08Å; R575-E669 IonicContact CZ-OE2 3.18Å; R575-E669 IonicContact NE-OE1 3.5Å; R575-E669 IonicContact NE-OE2 3.24Å; R575-E669 PolarHBondContact NE-OE2 3.03Å; R575-E669 IonicContact NH2-OE2 3.59Å; R575-E669 PolarHBondContact NH2-OE2 3.14Å |
| 576 | M | 91.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.2 | 175.4 | -176.4 | -168 | -160.9 | 0 | 0 | 107.6 | C507 T509 I566 F569 C590 K591 | C507-M576 PolarHBondContact SG-O 3.46Å; T509-M576 HydrophobicContact CG2-CE 3.35Å; I566-M576 HydrophobicContact CG2-CE 3.8Å; F569-M576 HydrophobicContact CB-CB 4.22Å; M576-C590 WeakPolarHBondContact O-CA 3.48Å; M576-K591 HydrophobicContact CB-CG 4.22Å; M576-K591 PolarHBondContact N-O 3.18Å; M576-K591 PolarHBondContact O-N 3.39Å; M576-K591 VanDerWaalsContact SD-CE 3.58Å |
| 577 | S | 93.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.5 | 175.2 | -53 | 0 | 0 | 0 | 0 | 111.9 | L567 Y589 C590 E669 | L567-S577 PolarHBondContact N-O 3.31Å; L567-S577 PolarHBondContact O-N 3.15Å; S577-Y589 CarbonylContact C-O 3.56Å; S577-Y589 WeakPolarHBondContact CA-O 3.29Å; S577-Y589 WeakPolarHBondContact CB-O 3.43Å; S577-C590 WeakPolarHBondContact OG-CB 3.39Å; S577-C590 PolarHBondContact OG-SG 3.39Å; S577-E669 VanDerWaalsContact CB-OE1 3.24Å; S577-E669 WeakPolarHBondContact CB-OE1 3.44Å; S577-E669 PolarHBondContact OG-OE1 2.91Å |
| 578 | V | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.9 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | C507 I550 L563 I566 V580 Y589 | C507-V578 HydrophobicContact CB-CB 4.48Å; C507-V578 HydrophobicContact CB-CG2 4.28Å; I550-V578 HydrophobicContact CD1-CG1 4.48Å; L563-V578 HydrophobicContact CD1-CG1 3.59Å; I566-V578 HydrophobicContact CG1-CG2 4.32Å; I566-V578 HydrophobicContact CG2-CG2 4.34Å; V578-V580 HydrophobicContact CG1-CG1 3.79Å; V578-Y589 PolarHBondContact N-O 3.23Å; V578-Y589 PolarHBondContact O-N 3.43Å |
| 579 | I | 94.2 | Very high | 87 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.3 | 177.2 | -55.3 | 173.1 | 0 | 0 | 0 | 108 | L564 C565 T586 E587 L588 F640 W643 I668 | L564-I579 HydrophobicContact CB-CB 4.47Å; L564-I579 HydrophobicContact CB-CG2 4.23Å; L564-I579 HydrophobicContact CD1-CG2 4.11Å; L564-I579 PolarHBondContact N-O 2.91Å; C565-I579 HydrophobicContact CB-CB 4.37Å; C565-I579 HydrophobicContact CB-CD1 4.31Å; C565-I579 PolarHBondContact N-O 3.43Å; C565-I579 PolarHBondContact O-N 3.4Å; I579-T586 HydrophobicContact CG2-CG2 3.66Å; I579-E587 WeakPolarHBondContact CA-O 3.33Å; I579-L588 HydrophobicContact CD1-CD1 4.02Å; I579-L588 HydrophobicContact CG1-CD1 3.43Å; I579-L588 VanDerWaalsContact CG1-CD1 3.43Å; I579-F640 HydrophobicContact CB-CE2 4.3Å; I579-F640 HydrophobicContact CD1-CD2 4.15Å; I579-F640 HydrophobicContact CD1-CE2 3.62Å; I579-F640 HydrophobicContact CG2-CD2 4.03Å; I579-F640 HydrophobicContact CG2-CE2 3.74Å; I579-F640 HydrophobicContact CG2-CZ 4.32Å; I579-W643 HydrophobicContact CD1-CH2 4.34Å; I579-W643 HydrophobicContact CD1-CZ3 4.16Å; I579-I668 HydrophobicContact CD1-CD1 3.68Å |
| 580 | V | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 154.9 | -178.6 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | L506 Y561 E562 L563 V578 T586 E587 Y589 | L506-V580 HydrophobicContact CD1-CG2 4.41Å; Y561-V580 HydrophobicContact CD1-CB 3.87Å; Y561-V580 HydrophobicContact CD1-CG1 4.46Å; Y561-V580 HydrophobicContact CD1-CG2 3.61Å; Y561-V580 HydrophobicContact CE1-CG2 4.05Å; E562-V580 CarbonylContact O-C 3.56Å; E562-V580 WeakPolarHBondContact O-CA 3.42Å; L563-V580 HydrophobicContact CD1-CG1 4.38Å; V578-V580 HydrophobicContact CG1-CG1 3.79Å; V580-T586 WeakPolarHBondContact O-CA 3.4Å; V580-E587 HydrophobicContact CG2-CB 4.21Å; V580-E587 PolarHBondContact N-O 3.49Å; V580-E587 PolarHBondContact O-N 3.48Å; V580-Y589 HydrophobicContact CG2-CD2 4.07Å; V580-Y589 HydrophobicContact CG2-CE2 3.82Å |
| 581 | R | 93 | Very high | 88.6 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.4 | 170.5 | -171.7 | -174.2 | -60.8 | 139 | -5 | 110.8 | E562 L564 K585 | E562-R581 HydrophobicContact CB-CB 4.16Å; E562-R581 VanDerWaalsContact CD-NH1 3.34Å; E562-R581 PolarHBondContact N-O 3.14Å; E562-R581 PolarHBondContact O-N 3.3Å; E562-R581 IonicContact OE1-NH1 3.31Å; E562-R581 PolarHBondContact OE1-NH1 3.2Å; E562-R581 WeakPolarHBondContact OE2-CD 3.47Å; E562-R581 IonicContact OE2-CZ 2.72Å; E562-R581 IonicContact OE2-NE 3.65Å; E562-R581 IonicContact OE2-NH1 2.72Å; E562-R581 PolarHBondContact OE2-NH1 2.91Å; L564-R581 HydrophobicContact CD1-CB 4.04Å; L564-R581 HydrophobicContact CG-CB 4.34Å; R581-K585 VanDerWaalsContact CA-O 3.31Å; R581-K585 WeakPolarHBondContact CA-O 3.27Å; R581-K585 WeakPolarHBondContact CG-O 3.44Å |
| 582 | R | 87.7 | Confident | 89.7 | Confident | 60 Ų | 60 | 33.2 Ų | 33.2 | 23% | 0.226 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 135.5 | 174.1 | -179.7 | -179.7 | 174.2 | -161.9 | 3.9 | 109.9 | R502 E559 Y561 G584 K585 | R502-R582 VanDerWaalsContact CZ-NH1 3.28Å; E559-R582 IonicContact OE1-CZ 3.53Å; E559-R582 IonicContact OE1-NH1 3.39Å; E559-R582 PolarHBondContact OE1-NH1 3.42Å; E559-R582 IonicContact OE1-NH2 2.93Å; E559-R582 PolarHBondContact OE1-NH2 3.29Å; E559-R582 IonicContact OE2-CZ 3.08Å; E559-R582 IonicContact OE2-NE 3.91Å; E559-R582 IonicContact OE2-NH1 2.88Å; E559-R582 PolarHBondContact OE2-NH1 2.91Å; E559-R582 IonicContact OE2-NH2 3.37Å; E559-R582 PolarHBondContact OE2-NH2 2.74Å; Y561-R582 HydrophobicContact CD1-CB 3.88Å; Y561-R582 HydrophobicContact CE1-CB 3.78Å; Y561-R582 HydrophobicContact CE1-CG 4.29Å; Y561-R582 WeakPolarHBondContact OH-CD 3.41Å; Y561-R582 PolarHBondContact OH-NH1 3.07Å; Y561-R582 VanDerWaalsContact OH-NH1 3.11Å; R582-G584 PolarHBondContact O-N 3.23Å; R582-G584 VanDerWaalsContact O-N 3.09Å; R582-K585 PolarHBondContact N-O 3.43Å; R582-K585 PolarHBondContact O-N 3.03Å |
| 583 | N | 85.4 | Confident | 90.5 | Very high | 147 Ų | 147 | 27.1 Ų | 27.1 | 79% | 0.786 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 37.1 | 177.5 | -60.2 | -14 | 0 | 0 | 0 | 113.5 | K585 | N583-K585 VanDerWaalsContact C-N 3.25Å; N583-K585 PolarHBondContact O-N 2.95Å |
| 584 | G | 81.5 | Confident | 90.7 | Very high | 62 Ų | 62 | 26.6 Ų | 26.6 | 64% | 0.639 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | -8.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R582 | R582-G584 PolarHBondContact O-N 3.23Å; R582-G584 VanDerWaalsContact O-N 3.09Å |
| 585 | K | 89.3 | Confident | 90.8 | Very high | 128 Ų | 128 | 27.5 Ų | 27.5 | 56% | 0.557 | 15% | 0.147 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 133.6 | 176.2 | -62.9 | -175.9 | 179.2 | -176.6 | 0 | 110.7 | R581 R582 N583 | R581-K585 VanDerWaalsContact CA-O 3.31Å; R581-K585 WeakPolarHBondContact CA-O 3.27Å; R581-K585 WeakPolarHBondContact CG-O 3.44Å; R582-K585 PolarHBondContact N-O 3.43Å; R582-K585 PolarHBondContact O-N 3.03Å; N583-K585 VanDerWaalsContact C-N 3.25Å; N583-K585 PolarHBondContact O-N 2.95Å |
| 586 | T | 92.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.5 | 172.8 | -51.8 | 0 | 0 | 0 | 0 | 108.7 | L564 I579 V580 V635 F640 | L564-T586 HydrophobicContact CD1-CG2 3.74Å; I579-T586 HydrophobicContact CG2-CG2 3.66Å; V580-T586 WeakPolarHBondContact O-CA 3.4Å; T586-V635 WeakPolarHBondContact CB-O 3.19Å; T586-V635 HydrophobicContact CG2-CB 4.23Å; T586-V635 PolarHBondContact O-N 3.42Å; T586-F640 HydrophobicContact CG2-CG 4.42Å |
| 587 | E | 92.8 | Very high | 90.7 | Very high | 38 Ų | 38 | 28 Ų | 28 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.7 | -173.6 | -61.2 | 176.2 | 165.6 | 0 | 0 | 109.5 | I579 V580 Y589 | I579-E587 WeakPolarHBondContact CA-O 3.33Å; V580-E587 HydrophobicContact CG2-CB 4.21Å; V580-E587 PolarHBondContact N-O 3.49Å; V580-E587 PolarHBondContact O-N 3.48Å; E587-Y589 HydrophobicContact CB-CD2 4.42Å; E587-Y589 HydrophobicContact CB-CE2 3.76Å; E587-Y589 WeakPolarHBondContact OE2-CE2 3.43Å; E587-Y589 PolarHBondContact OE2-OH 2.93Å |
| 588 | L | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.1 | 170.9 | 174.6 | 78.2 | 0 | 0 | 0 | 108.3 | I579 Y632 K633 V635 E669 M672 | I579-L588 HydrophobicContact CD1-CD1 4.02Å; I579-L588 HydrophobicContact CG1-CD1 3.43Å; I579-L588 VanDerWaalsContact CG1-CD1 3.43Å; L588-Y632 CarbonylContact O-C 3.46Å; L588-Y632 WeakPolarHBondContact O-CA 3.32Å; L588-K633 HydrophobicContact CB-CB 4.25Å; L588-K633 HydrophobicContact CD2-CB 4.12Å; L588-K633 HydrophobicContact CD2-CD 4.33Å; L588-K633 PolarHBondContact N-O 2.88Å; L588-K633 PolarHBondContact O-N 2.75Å; L588-V635 HydrophobicContact CB-CG2 3.8Å; L588-E669 HydrophobicContact CD2-CG 4.47Å; L588-M672 HydrophobicContact CD2-CG 4.44Å; L588-M672 HydrophobicContact CD2-SD 4.12Å |
| 589 | Y | 95.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.5 | 169.4 | -66.3 | -84.1 | 0 | 0 | 0 | 108.9 | C503 L506 S577 V578 V580 E587 | C503-Y589 HydrophobicContact CB-CD1 3.7Å; C503-Y589 HydrophobicContact CB-CE1 4.35Å; L506-Y589 HydrophobicContact CD1-CD2 4.26Å; L506-Y589 HydrophobicContact CD1-CE2 3.85Å; S577-Y589 CarbonylContact C-O 3.56Å; S577-Y589 WeakPolarHBondContact CA-O 3.29Å; S577-Y589 WeakPolarHBondContact CB-O 3.43Å; V578-Y589 PolarHBondContact N-O 3.23Å; V578-Y589 PolarHBondContact O-N 3.43Å; V580-Y589 HydrophobicContact CG2-CD2 4.07Å; V580-Y589 HydrophobicContact CG2-CE2 3.82Å; E587-Y589 HydrophobicContact CB-CD2 4.42Å; E587-Y589 HydrophobicContact CB-CE2 3.76Å; E587-Y589 WeakPolarHBondContact OE2-CE2 3.43Å; E587-Y589 PolarHBondContact OE2-OH 2.93Å |
| 590 | C | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138 | -178.4 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | M576 S577 I597 L630 A631 M672 | M576-C590 WeakPolarHBondContact O-CA 3.48Å; S577-C590 WeakPolarHBondContact OG-CB 3.39Å; S577-C590 PolarHBondContact OG-SG 3.39Å; C590-I597 WeakPolarHBondContact SG-CD1 3.02Å; C590-L630 WeakPolarHBondContact O-CA 3.36Å; C590-A631 PolarHBondContact N-O 3.32Å; C590-A631 PolarHBondContact O-N 2.92Å; C590-M672 HydrophobicContact CB-CE 4.12Å; C590-M672 HydrophobicContact CB-SD 3.54Å; C590-M672 VanDerWaalsContact CB-SD 3.54Å |
| 591 | K | 93.7 | Very high | 89.7 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.2 | 171 | 69.7 | -176 | -176 | -174.5 | 0 | 110.4 | C507 E528 R575 M576 C629 L630 | C507-K591 WeakPolarHBondContact O-CD 3.31Å; C507-K591 WeakPolarHBondContact O-CE 3.38Å; C507-K591 PolarHBondContact O-NZ 2.88Å; E528-K591 VanDerWaalsContact CD-NZ 3.34Å; E528-K591 IonicContact OE1-NZ 2.65Å; E528-K591 PolarHBondContact OE1-NZ 2.97Å; R575-K591 CarbonylContact C-O 3.57Å; R575-K591 WeakPolarHBondContact CA-O 3.46Å; R575-K591 WeakPolarHBondContact CB-O 3.31Å; M576-K591 HydrophobicContact CB-CG 4.22Å; M576-K591 PolarHBondContact N-O 3.18Å; M576-K591 PolarHBondContact O-N 3.39Å; M576-K591 VanDerWaalsContact SD-CE 3.58Å; K591-C629 WeakPolarHBondContact CA-O 3.3Å; K591-L630 HydrophobicContact CB-CD2 3.43Å; K591-L630 VanDerWaalsContact CB-CD2 3.43Å |
| 592 | G | 91 | Very high | 89.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | -166.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K574 L628 C629 | K574-G592 VanDerWaalsContact O-CA 3.3Å; K574-G592 WeakPolarHBondContact O-CA 3.18Å; G592-L628 WeakPolarHBondContact O-CA 3.46Å; G592-C629 PolarHBondContact N-O 2.92Å; G592-C629 PolarHBondContact O-N 3.02Å |
| 593 | A | 88.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -62.5 | 142.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K574 T595 V596 I597 Y1195 | K574-A593 HydrophobicContact CB-CB 4.24Å; K574-A593 HydrophobicContact CD-CB 4.43Å; K574-A593 PolarHBondContact O-N 3.28Å; A593-T595 VanDerWaalsContact C-N 3.35Å; A593-T595 PolarHBondContact O-N 2.9Å; A593-V596 HydrophobicContact CB-CB 4.1Å; A593-V596 HydrophobicContact CB-CG2 3.98Å; A593-V596 PolarHBondContact O-N 3.42Å; A593-I597 WeakPolarHBondContact O-CB 3.32Å; A593-I597 WeakPolarHBondContact O-CG1 3.35Å; A593-I597 PolarHBondContact O-N 3.33Å; A593-Y1195 VanDerWaalsContact CA-CE2 3.47Å; A593-Y1195 HydrophobicContact CB-CD1 3.54Å; A593-Y1195 HydrophobicContact CB-CD2 3.37Å; A593-Y1195 HydrophobicContact CB-CE1 3.82Å; A593-Y1195 HydrophobicContact CB-CE2 3.6Å; A593-Y1195 HydrophobicContact CB-CG 3.28Å; A593-Y1195 VanDerWaalsContact N-CE2 3.32Å | ||
| 594 | D | 86.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.1 | -50.9 | 171.8 | 55.8 | -10.2 | 0 | 0 | 0 | 111.9 | V596 I597 M598 L617 C629 S1193 | D594-V596 PolarHBondContact O-N 3.31Å; D594-I597 PolarHBondContact O-N 2.71Å; D594-M598 WeakPolarHBondContact O-CB 3.3Å; D594-M598 WeakPolarHBondContact O-CG 3.47Å; D594-M598 PolarHBondContact O-N 2.98Å; D594-L617 HydrophobicContact CB-CD1 3.79Å; D594-L617 HydrophobicContact CB-CD2 4.42Å; D594-C629 VanDerWaalsContact CA-SG 3.52Å; D594-S1193 WeakPolarHBondContact OD1-CB 3.28Å; D594-S1193 PolarHBondContact OD1-OG 3.07Å; D594-S1193 WeakPolarHBondContact OD2-CA 3.38Å; D594-S1193 WeakPolarHBondContact OD2-CB 3.32Å; D594-S1193 PolarHBondContact OD2-OG 3.06Å |
| 595 | T | 85.4 | Confident | 86.4 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.1 | -20.4 | 178.1 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | A593 Q599 | A593-T595 VanDerWaalsContact C-N 3.35Å; A593-T595 PolarHBondContact O-N 2.9Å; T595-Q599 VanDerWaalsContact O-CG 3.32Å; T595-Q599 WeakPolarHBondContact O-CG 3.4Å; T595-Q599 PolarHBondContact O-NE2 3.13Å |
| 596 | V | 88.4 | Confident | 85 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -101.9 | -48 | -176.2 | 172.7 | 0 | 0 | 0 | 0 | 111 | R573 K574 A593 D594 Q599 R600 | R573-V596 WeakPolarHBondContact O-CG1 3.49Å; K574-V596 HydrophobicContact CB-CG2 4.15Å; K574-V596 HydrophobicContact CD-CG2 4.23Å; A593-V596 HydrophobicContact CB-CB 4.1Å; A593-V596 HydrophobicContact CB-CG2 3.98Å; A593-V596 PolarHBondContact O-N 3.42Å; D594-V596 PolarHBondContact O-N 3.31Å; V596-Q599 PolarHBondContact O-N 3.5Å; V596-R600 VanDerWaalsContact CG1-NH1 3.25Å; V596-R600 PolarHBondContact O-NH1 2.88Å |
| 597 | I | 90.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -43.3 | -179.5 | -62.5 | -63.7 | 0 | 0 | 0 | 109.7 | R575 C590 A593 D594 Q599 R600 I601 C629 A631 M672 | R575-I597 HydrophobicContact CB-CD1 4.1Å; C590-I597 WeakPolarHBondContact SG-CD1 3.02Å; A593-I597 WeakPolarHBondContact O-CB 3.32Å; A593-I597 WeakPolarHBondContact O-CG1 3.35Å; A593-I597 PolarHBondContact O-N 3.33Å; D594-I597 PolarHBondContact O-N 2.71Å; I597-Q599 PolarHBondContact O-N 3Å; I597-Q599 VanDerWaalsContact O-N 3.09Å; I597-R600 PolarHBondContact O-N 3.04Å; I597-I601 HydrophobicContact CG2-CD1 3.64Å; I597-I601 HydrophobicContact CG2-CG1 4.25Å; I597-I601 WeakPolarHBondContact O-CD1 3.43Å; I597-I601 WeakPolarHBondContact O-CG1 3.26Å; I597-I601 PolarHBondContact O-N 3.48Å; I597-C629 HydrophobicContact CB-CB 3.76Å; I597-C629 HydrophobicContact CG1-CB 4.12Å; I597-C629 HydrophobicContact CG2-CB 3.73Å; I597-A631 HydrophobicContact CG2-CB 3.87Å; I597-M672 HydrophobicContact CD1-CE 4.27Å |
| 598 | M | 87.1 | Confident | 83.7 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.8 | 178.8 | -66.3 | -62.6 | -167.7 | 0 | 0 | 113.8 | D594 I601 Y610 T613 L617 L674 | D594-M598 WeakPolarHBondContact O-CB 3.3Å; D594-M598 WeakPolarHBondContact O-CG 3.47Å; D594-M598 PolarHBondContact O-N 2.98Å; M598-I601 HydrophobicContact SD-CD1 4.02Å; M598-Y610 HydrophobicContact CB-CE2 3.96Å; M598-Y610 HydrophobicContact CG-CE2 4.18Å; M598-Y610 HydrophobicContact SD-CD2 3.81Å; M598-Y610 HydrophobicContact SD-CE2 3.42Å; M598-Y610 WeakPolarHBondContact SD-CE2 3.29Å; M598-T613 HydrophobicContact CE-CG2 4.05Å; M598-L617 HydrophobicContact CE-CD1 3.56Å; M598-L674 HydrophobicContact CE-CD1 4.48Å; M598-L674 HydrophobicContact CE-CD2 4.01Å; M598-L674 HydrophobicContact SD-CD1 4.47Å; M598-L674 HydrophobicContact SD-CD2 4.06Å |
| 599 | Q | 88 | Confident | 83.2 | Confident | 152 Ų | 152 | 42.9 Ų | 42.9 | 71% | 0.71 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.6 | 175.6 | -68.6 | 176.9 | -9.2 | 0 | 0 | 113.7 | T595 V596 I597 | T595-Q599 VanDerWaalsContact O-CG 3.32Å; T595-Q599 WeakPolarHBondContact O-CG 3.4Å; T595-Q599 PolarHBondContact O-NE2 3.13Å; V596-Q599 PolarHBondContact O-N 3.5Å; I597-Q599 PolarHBondContact O-N 3Å; I597-Q599 VanDerWaalsContact O-N 3.09Å |
| 600 | R | 89.9 | Confident | 82.8 | Confident | 34 Ų | 34 | 45 Ų | 45 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -112 | 4 | -173.9 | -70.2 | 169.1 | -179.8 | 69 | 3.1 | 113.2 | R575 V596 I597 E666 G671 M672 | R575-R600 VanDerWaalsContact CZ-NE 3.35Å; R575-R600 VanDerWaalsContact NH1-CZ 3.28Å; R575-R600 VanDerWaalsContact NH1-NH2 3.15Å; V596-R600 VanDerWaalsContact CG1-NH1 3.25Å; V596-R600 PolarHBondContact O-NH1 2.88Å; I597-R600 PolarHBondContact O-N 3.04Å; R600-E666 IonicContact CZ-OE1 2.76Å; R600-E666 IonicContact CZ-OE2 3.57Å; R600-E666 IonicContact NE-OE1 2.81Å; R600-E666 PolarHBondContact NE-OE1 3.17Å; R600-E666 IonicContact NE-OE2 2.65Å; R600-E666 PolarHBondContact NE-OE2 3.1Å; R600-E666 IonicContact NH2-OE1 2.64Å; R600-E666 PolarHBondContact NH2-OE1 3.3Å; R600-E666 IonicContact NH2-OE2 2.69Å; R600-E666 PolarHBondContact NH2-OE2 3.35Å; R600-G671 WeakPolarHBondContact O-CA 3.12Å; R600-G671 PolarHBondContact O-N 2.82Å; R600-M672 HydrophobicContact CB-CE 3.87Å; R600-M672 PolarHBondContact O-N 3.08Å |
| 601 | I | 88.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.092 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 141.8 | -179.8 | -75.6 | 160.9 | 0 | 0 | 0 | 109.8 | I597 M598 E603 M672 L674 | I597-I601 HydrophobicContact CG2-CD1 3.64Å; I597-I601 HydrophobicContact CG2-CG1 4.25Å; I597-I601 WeakPolarHBondContact O-CD1 3.43Å; I597-I601 WeakPolarHBondContact O-CG1 3.26Å; I597-I601 PolarHBondContact O-N 3.48Å; M598-I601 HydrophobicContact SD-CD1 4.02Å; I601-E603 HydrophobicContact CG2-CB 3.72Å; I601-E603 HydrophobicContact CG2-CG 4.24Å; I601-E603 WeakPolarHBondContact CG2-OE2 3.44Å; I601-M672 CarbonylContact C-O 3.5Å; I601-M672 VanDerWaalsContact CA-O 3.28Å; I601-M672 WeakPolarHBondContact CA-O 3.3Å; I601-L674 HydrophobicContact CD1-CB 3.58Å; I601-L674 HydrophobicContact CD1-CD1 3.64Å; I601-L674 HydrophobicContact CD1-CD2 4.37Å; I601-L674 HydrophobicContact CD1-CG 4.05Å; I601-L674 HydrophobicContact CG1-CB 4.19Å; I601-L674 HydrophobicContact CG2-CB 4.18Å |
| 602 | N | 81.5 | Confident | 82.2 | Confident | 110 Ų | 110 | 52.9 Ų | 52.9 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -73 | -31.1 | 176.5 | -77.1 | -28.4 | 0 | 0 | 0 | 112.6 | T604 G671 M672 | N602-T604 PolarHBondContact O-N 2.91Å; N602-G671 PolarHBondContact ND2-O 2.99Å; N602-G671 VanDerWaalsContact ND2-O 3.13Å; N602-G671 WeakPolarHBondContact OD1-CA 3.38Å; N602-M672 PolarHBondContact N-O 3.04Å |
| 603 | E | 69.5 | Low | 82.2 | Confident | 35 Ų | 35 | 52.9 Ų | 52.9 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | trans | -61.5 | 123.3 | 175.8 | -60.9 | 99.6 | -138.3 | 0 | 0 | 110.4 | I601 D607 M609 S673 L674 | I601-E603 HydrophobicContact CG2-CB 3.72Å; I601-E603 HydrophobicContact CG2-CG 4.24Å; I601-E603 WeakPolarHBondContact CG2-OE2 3.44Å; E603-D607 HydrophobicContact CB-CB 4.06Å; E603-D607 WeakPolarHBondContact CG-OD2 3.41Å; E603-M609 HydrophobicContact CG-CE 4.17Å; E603-M609 WeakPolarHBondContact OE2-CE 3.48Å; E603-S673 WeakPolarHBondContact OE1-CA 3.36Å; E603-S673 VanDerWaalsContact OE1-CB 3.22Å; E603-S673 WeakPolarHBondContact OE1-CB 3.48Å; E603-S673 PolarHBondContact OE1-OG 2.85Å; E603-L674 WeakPolarHBondContact OE2-CB 3.31Å; E603-L674 PolarHBondContact OE2-N 2.9Å | ||
| 604 | T | 64.7 | Low | 82.2 | Confident | 102 Ų | 102 | 55.4 Ų | 55.4 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | trans | -84 | 167.2 | 175.6 | 16 | 0 | 0 | 0 | 0 | 110.3 | N602 A606 D607 | N602-T604 PolarHBondContact O-N 2.91Å; T604-A606 PolarHBondContact O-N 3.42Å; T604-D607 WeakPolarHBondContact O-CB 3.49Å; T604-D607 PolarHBondContact O-N 3.26Å | ||
| 605 | S | 62.4 | Low | 82.3 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 63% | 0.629 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -11.7 | 173.8 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | D607 T611 | S605-D607 VanDerWaalsContact C-N 3.3Å; S605-T611 PolarHBondContact O-OG1 3.09Å |
| 606 | A | 59.7 | Low | 82.6 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -19.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T604 | T604-A606 PolarHBondContact O-N 3.42Š|
| 607 | D | 77.2 | Confident | 82.6 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -74 | 123 | 176.7 | -165.3 | -36.4 | 0 | 0 | 0 | 110 | E603 T604 S605 M609 Y610 T611 | E603-D607 HydrophobicContact CB-CB 4.06Å; E603-D607 WeakPolarHBondContact CG-OD2 3.41Å; T604-D607 WeakPolarHBondContact O-CB 3.49Å; T604-D607 PolarHBondContact O-N 3.26Å; S605-D607 VanDerWaalsContact C-N 3.3Å; D607-M609 PolarHBondContact O-N 2.93Å; D607-M609 VanDerWaalsContact OD1-CB 3.27Å; D607-M609 WeakPolarHBondContact OD1-CB 3.38Å; D607-M609 PolarHBondContact OD1-N 3.32Å; D607-Y610 WeakPolarHBondContact O-CB 3.26Å; D607-Y610 PolarHBondContact O-N 3.37Å; D607-Y610 VanDerWaalsContact O-N 3.16Å; D607-T611 PolarHBondContact O-N 3.24Å |
| 608 | P | 81.5 | Confident | 82.3 | Confident | 83 Ų | 83 | 57 Ų | 57 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.6 | -33.8 | 175.4 | 22.5 | -33.6 | 0 | 0 | 0 | 112.3 | Y610 T611 H612 | P608-Y610 PolarHBondContact O-N 3.35Å; P608-T611 PolarHBondContact O-N 3.2Å; P608-H612 WeakPolarHBondContact O-CB 3.43Å; P608-H612 PolarHBondContact O-CD2 3.08Å; P608-H612 VanDerWaalsContact O-CG 3.3Å; P608-H612 PolarHBondContact O-N 3.05Å |
| 609 | M | 84.5 | Confident | 82.2 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 179 | -171.6 | -166.8 | 64 | 0 | 0 | 111.9 | E603 D607 T613 L674 | E603-M609 HydrophobicContact CG-CE 4.17Å; E603-M609 WeakPolarHBondContact OE2-CE 3.48Å; D607-M609 PolarHBondContact O-N 2.93Å; D607-M609 VanDerWaalsContact OD1-CB 3.27Å; D607-M609 WeakPolarHBondContact OD1-CB 3.38Å; D607-M609 PolarHBondContact OD1-N 3.32Å; M609-T613 WeakPolarHBondContact O-CB 3.27Å; M609-T613 PolarHBondContact O-N 3.09Å; M609-T613 PolarHBondContact O-OG1 2.67Å; M609-L674 HydrophobicContact CE-CB 3.61Å; M609-L674 HydrophobicContact CE-CD2 4.09Å; M609-L674 HydrophobicContact CE-CG 4.09Å; M609-L674 VanDerWaalsContact CE-O 3.28Å; M609-L674 WeakPolarHBondContact CE-O 3.32Å |
| 610 | Y | 86.1 | Confident | 82.1 | Confident | 49 Ų | 49 | 54 Ų | 54 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | 176.8 | -177.3 | -82.8 | 0 | 0 | 0 | 110.4 | M598 D607 P608 H612 T613 Q614 | M598-Y610 HydrophobicContact CB-CE2 3.96Å; M598-Y610 HydrophobicContact CG-CE2 4.18Å; M598-Y610 HydrophobicContact SD-CD2 3.81Å; M598-Y610 HydrophobicContact SD-CE2 3.42Å; M598-Y610 WeakPolarHBondContact SD-CE2 3.29Å; D607-Y610 WeakPolarHBondContact O-CB 3.26Å; D607-Y610 PolarHBondContact O-N 3.37Å; D607-Y610 VanDerWaalsContact O-N 3.16Å; P608-Y610 PolarHBondContact O-N 3.35Å; Y610-H612 PolarHBondContact O-N 3.35Å; Y610-T613 PolarHBondContact O-N 3.09Å; Y610-Q614 PolarHBondContact O-N 2.92Å |
| 611 | T | 86.7 | Confident | 81.5 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | -177.7 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | S605 D607 P608 Q614 A615 | S605-T611 PolarHBondContact O-OG1 3.09Å; D607-T611 PolarHBondContact O-N 3.24Å; P608-T611 PolarHBondContact O-N 3.2Å; T611-Q614 PolarHBondContact O-N 2.6Å; T611-A615 PolarHBondContact O-N 2.55Å |
| 612 | H | 90 | Very high | 80.5 | Confident | 98 Ų | 98 | 55.2 Ų | 55.2 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 176.6 | -70.8 | -50.1 | 0 | 0 | 0 | 111.9 | P608 Y610 Q614 A615 H616 | P608-H612 WeakPolarHBondContact O-CB 3.43Å; P608-H612 PolarHBondContact O-CD2 3.08Å; P608-H612 VanDerWaalsContact O-CG 3.3Å; P608-H612 PolarHBondContact O-N 3.05Å; Y610-H612 PolarHBondContact O-N 3.35Å; H612-Q614 PolarHBondContact O-N 2.79Å; H612-A615 PolarHBondContact O-N 3.17Å; H612-H616 PolarHBondContact O-CD2 3.14Å; H612-H616 VanDerWaalsContact O-CD2 3.23Å; H612-H616 PolarHBondContact O-N 3.16Å; H612-H616 PolarHBondContact O-ND1 3.3Å |
| 613 | T | 89.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | M598 M609 Y610 H616 L617 L674 A677 | M598-T613 HydrophobicContact CE-CG2 4.05Å; M609-T613 WeakPolarHBondContact O-CB 3.27Å; M609-T613 PolarHBondContact O-N 3.09Å; M609-T613 PolarHBondContact O-OG1 2.67Å; Y610-T613 PolarHBondContact O-N 3.09Å; T613-H616 WeakPolarHBondContact O-CB 3.39Å; T613-H616 PolarHBondContact O-N 2.88Å; T613-L617 HydrophobicContact CG2-CD1 4.28Å; T613-L617 VanDerWaalsContact O-CG 3.32Å; T613-L617 WeakPolarHBondContact O-CG 3.34Å; T613-L617 PolarHBondContact O-N 2.95Å; T613-L674 HydrophobicContact CG2-CD2 4.12Å; T613-A677 HydrophobicContact CG2-CB 4.02Å |
| 614 | Q | 88 | Confident | 80.2 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.2 | -172.5 | 59.7 | 45.7 | 0 | 0 | 112.1 | Y610 T611 H612 H616 L617 D618 | Y610-Q614 PolarHBondContact O-N 2.92Å; T611-Q614 PolarHBondContact O-N 2.6Å; H612-Q614 PolarHBondContact O-N 2.79Å; Q614-H616 PolarHBondContact O-N 2.69Å; Q614-L617 WeakPolarHBondContact O-CB 3.31Å; Q614-L617 PolarHBondContact O-N 3.37Å; Q614-L617 VanDerWaalsContact O-N 3.16Å; Q614-D618 PolarHBondContact NE2-OD1 2.98Å; Q614-D618 PolarHBondContact O-N 3.33Å |
| 615 | A | 88.8 | Confident | 81.1 | Confident | 54 Ų | 54 | 47 Ų | 47 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.5 | -34.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | T611 H612 R619 | T611-A615 PolarHBondContact O-N 2.55Å; H612-A615 PolarHBondContact O-N 3.17Å; A615-R619 PolarHBondContact O-N 3.49Å |
| 616 | H | 91.4 | Very high | 82.1 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 12% | 0.12 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.2 | -41.8 | 174.5 | -63 | 169.6 | 0 | 0 | 0 | 112.1 | S427 G430 M432 H612 T613 Q614 R619 F620 | S427-H616 PolarHBondContact OG-ND1 3.06Å; G430-H616 PolarHBondContact O-CE1 3.32Å; M432-H616 HydrophobicContact CE-CB 4.49Å; M432-H616 WeakPolarHBondContact CE-CD2 3.26Å; H612-H616 PolarHBondContact O-CD2 3.14Å; H612-H616 VanDerWaalsContact O-CD2 3.23Å; H612-H616 PolarHBondContact O-N 3.16Å; H612-H616 PolarHBondContact O-ND1 3.3Å; T613-H616 WeakPolarHBondContact O-CB 3.39Å; T613-H616 PolarHBondContact O-N 2.88Å; Q614-H616 PolarHBondContact O-N 2.69Å; H616-R619 WeakPolarHBondContact O-CB 3.36Å; H616-R619 PolarHBondContact O-N 2.98Å; H616-F620 HydrophobicContact CB-CE2 4.21Å; H616-F620 HydrophobicContact CB-CZ 4.22Å; H616-F620 WeakPolarHBondContact O-CD1 3.48Å; H616-F620 WeakPolarHBondContact O-CD2 3.47Å; H616-F620 WeakPolarHBondContact O-CG 3.29Å; H616-F620 PolarHBondContact O-N 3.47Å |
| 617 | L | 88.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 175.4 | -73.8 | 163.5 | 0 | 0 | 0 | 111.7 | D594 M598 T613 Q614 R619 F620 A621 T627 A677 | D594-L617 HydrophobicContact CB-CD1 3.79Å; D594-L617 HydrophobicContact CB-CD2 4.42Å; M598-L617 HydrophobicContact CE-CD1 3.56Å; T613-L617 HydrophobicContact CG2-CD1 4.28Å; T613-L617 VanDerWaalsContact O-CG 3.32Å; T613-L617 WeakPolarHBondContact O-CG 3.34Å; T613-L617 PolarHBondContact O-N 2.95Å; Q614-L617 WeakPolarHBondContact O-CB 3.31Å; Q614-L617 PolarHBondContact O-N 3.37Å; Q614-L617 VanDerWaalsContact O-N 3.16Å; L617-R619 VanDerWaalsContact C-N 3.28Å; L617-R619 PolarHBondContact O-N 3.35Å; L617-F620 PolarHBondContact O-N 3.05Å; L617-A621 WeakPolarHBondContact O-CB 3.25Å; L617-A621 PolarHBondContact O-N 3.35Å; L617-T627 VanDerWaalsContact CD2-CB 3.5Å; L617-T627 HydrophobicContact CD2-CG2 3.77Å; L617-A677 HydrophobicContact CD2-CB 3.66Å; L617-A677 HydrophobicContact CG-CB 4.15Å |
| 618 | D | 84.3 | Confident | 84.3 | Confident | 34 Ų | 34 | 36.6 Ų | 36.6 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | 176.9 | -66.5 | -19.8 | 0 | 0 | 0 | 111.6 | Q614 A621 S622 | Q614-D618 PolarHBondContact NE2-OD1 2.98Å; Q614-D618 PolarHBondContact O-N 3.33Å; D618-A621 WeakPolarHBondContact O-CB 3.45Å; D618-A621 PolarHBondContact O-N 2.82Å; D618-S622 PolarHBondContact O-N 3.25Å |
| 619 | R | 84.4 | Confident | 84.9 | Confident | 104 Ų | 104 | 32.7 Ų | 32.7 | 39% | 0.392 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.3 | -45.4 | 174.7 | -177.1 | 175.9 | 175.6 | 157.6 | -7.5 | 111.7 | D435 A615 H616 L617 A621 S622 D623 | D435-R619 IonicContact OD2-CZ 3.94Å; D435-R619 IonicContact OD2-NE 3.86Å; D435-R619 PolarHBondContact OD2-NE 3.33Å; D435-R619 IonicContact OD2-NH2 2.66Å; D435-R619 PolarHBondContact OD2-NH2 3.4Å; A615-R619 PolarHBondContact O-N 3.49Å; H616-R619 WeakPolarHBondContact O-CB 3.36Å; H616-R619 PolarHBondContact O-N 2.98Å; L617-R619 VanDerWaalsContact C-N 3.28Å; L617-R619 PolarHBondContact O-N 3.35Å; R619-A621 VanDerWaalsContact C-N 3.26Å; R619-A621 PolarHBondContact O-N 2.84Å; R619-S622 PolarHBondContact O-N 3.2Å; R619-S622 PolarHBondContact O-OG 2.96Å; R619-D623 PolarHBondContact O-N 2.82Å; R619-D623 VanDerWaalsContact O-N 3.13Å |
| 620 | F | 86.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 176.4 | -61.7 | -22.5 | 0 | 0 | 0 | 111.3 | K425 M432 H616 L617 D623 G624 L625 T627 A679 | K425-F620 HydrophobicContact CB-CD1 4.21Å; K425-F620 HydrophobicContact CB-CE1 3.6Å; K425-F620 HydrophobicContact CB-CZ 3.85Å; K425-F620 HydrophobicContact CD-CD1 3.83Å; K425-F620 HydrophobicContact CD-CE1 3.59Å; K425-F620 HydrophobicContact CG-CE1 4.23Å; M432-F620 HydrophobicContact CG-CE1 3.97Å; M432-F620 HydrophobicContact CG-CZ 3.94Å; M432-F620 HydrophobicContact SD-CE1 4.12Å; H616-F620 HydrophobicContact CB-CE2 4.21Å; H616-F620 HydrophobicContact CB-CZ 4.22Å; H616-F620 WeakPolarHBondContact O-CD1 3.48Å; H616-F620 WeakPolarHBondContact O-CD2 3.47Å; H616-F620 WeakPolarHBondContact O-CG 3.29Å; H616-F620 PolarHBondContact O-N 3.47Å; L617-F620 PolarHBondContact O-N 3.05Å; F620-D623 PolarHBondContact O-N 3.21Å; F620-G624 PolarHBondContact O-N 2.84Å; F620-L625 HydrophobicContact CB-CB 4.28Å; F620-L625 HydrophobicContact CB-CD1 4.37Å; F620-L625 HydrophobicContact CD1-CD1 4.33Å; F620-L625 WeakPolarHBondContact O-CB 3.46Å; F620-L625 PolarHBondContact O-N 3.13Å; F620-T627 HydrophobicContact CB-CG2 3.56Å; F620-T627 HydrophobicContact CD2-CG2 4.1Å; F620-T627 HydrophobicContact CG-CG2 4.35Å; F620-A679 HydrophobicContact CB-CB 4.12Å; F620-A679 HydrophobicContact CD1-CB 4.24Å; F620-A679 HydrophobicContact CD2-CB 3.68Å; F620-A679 HydrophobicContact CE2-CB 4.08Å; F620-A679 HydrophobicContact CG-CB 3.75Å |
| 621 | A | 75.9 | Confident | 85.7 | Confident | 9 Ų | 9 | 29.2 Ų | 29.2 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L617 D618 R619 D623 G624 R1192 | L617-A621 WeakPolarHBondContact O-CB 3.25Å; L617-A621 PolarHBondContact O-N 3.35Å; D618-A621 WeakPolarHBondContact O-CB 3.45Å; D618-A621 PolarHBondContact O-N 2.82Å; R619-A621 VanDerWaalsContact C-N 3.26Å; R619-A621 PolarHBondContact O-N 2.84Å; A621-D623 PolarHBondContact O-N 3.43Å; A621-G624 PolarHBondContact O-N 3.2Å; A621-R1192 WeakPolarHBondContact CB-O 3.37Å |
| 622 | S | 69 | Low | 86 | Confident | 69 Ų | 69 | 29 Ų | 29 | 48% | 0.483 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65 | -26.3 | 178.5 | 76 | 0 | 0 | 0 | 0 | 114 | D618 R619 G624 | D618-S622 PolarHBondContact O-N 3.25Å; R619-S622 PolarHBondContact O-N 3.2Å; R619-S622 PolarHBondContact O-OG 2.96Å; S622-G624 VanDerWaalsContact C-N 3.27Å |
| 623 | D | 72.2 | Confident | 86.1 | Confident | 61 Ų | 61 | 26.4 Ų | 26.4 | 33% | 0.326 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.6 | 173.9 | -72.7 | -14.6 | 0 | 0 | 0 | 112 | K425 R619 F620 A621 L625 | K425-D623 IonicContact NZ-OD2 3.23Å; K425-D623 PolarHBondContact NZ-OD2 3.26Å; R619-D623 PolarHBondContact O-N 2.82Å; R619-D623 VanDerWaalsContact O-N 3.13Å; F620-D623 PolarHBondContact O-N 3.21Å; A621-D623 PolarHBondContact O-N 3.43Å; D623-L625 HydrophobicContact CB-CD1 4.34Å; D623-L625 HydrophobicContact CB-CG 4.16Å |
| 624 | G | 73 | Confident | 86.2 | Confident | 7 Ų | 7 | 31.4 Ų | 31.4 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 17.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F620 A621 S622 S732 | F620-G624 PolarHBondContact O-N 2.84Å; A621-G624 PolarHBondContact O-N 3.2Å; S622-G624 VanDerWaalsContact C-N 3.27Å; G624-S732 PolarHBondContact O-OG 3.45Å |
| 625 | L | 83.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | trans | -84.3 | 140.1 | 179.9 | -55.9 | 175.1 | 0 | 0 | 0 | 111.1 | N424 K425 F620 D623 A679 E681 S1194 | N424-L625 HydrophobicContact CB-CD2 4.34Å; K425-L625 HydrophobicContact CD-CD1 3.87Å; K425-L625 HydrophobicContact CG-CD1 4.12Å; F620-L625 HydrophobicContact CB-CB 4.28Å; F620-L625 HydrophobicContact CB-CD1 4.37Å; F620-L625 HydrophobicContact CD1-CD1 4.33Å; F620-L625 WeakPolarHBondContact O-CB 3.46Å; F620-L625 PolarHBondContact O-N 3.13Å; D623-L625 HydrophobicContact CB-CD1 4.34Å; D623-L625 HydrophobicContact CB-CG 4.16Å; L625-A679 HydrophobicContact CB-CB 4Å; L625-A679 HydrophobicContact CD1-CB 3.81Å; L625-E681 HydrophobicContact CD2-CB 3.65Å; L625-E681 HydrophobicContact CD2-CG 4.01Å; L625-S1194 WeakPolarHBondContact O-CB 3.45Å; L625-S1194 PolarHBondContact O-OG 3.11Å | ||
| 626 | R | 84.3 | Confident | 86.5 | Confident | 13 Ų | 13 | 31.3 Ų | 31.3 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.9 | 173.9 | -56 | -177.3 | 177.7 | -165.8 | 0.6 | 109.5 | M421 D527 A679 I680 D682 S1194 A1196 | M421-R626 VanDerWaalsContact CE-CZ 3.47Å; D527-R626 IonicContact OD1-NH1 2.7Å; D527-R626 PolarHBondContact OD1-NH1 2.8Å; D527-R626 IonicContact OD2-NH1 3.35Å; R626-A679 CarbonylContact O-C 3.57Å; R626-A679 WeakPolarHBondContact O-CA 3.49Å; R626-I680 HydrophobicContact CB-CB 4.37Å; R626-I680 PolarHBondContact N-O 3.05Å; R626-I680 PolarHBondContact O-N 3.45Å; R626-D682 IonicContact CZ-OD2 3.92Å; R626-D682 IonicContact NE-OD2 3.56Å; R626-D682 IonicContact NH2-OD2 3.4Å; R626-D682 PolarHBondContact NH2-OD2 3.12Å; R626-S1194 WeakPolarHBondContact CA-O 3.37Å; R626-A1196 HydrophobicContact CB-CB 4.19Å; R626-A1196 HydrophobicContact CG-CB 3.87Å |
| 627 | T | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 144.3 | -174.5 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | L617 F620 T678 S1194 Y1195 | L617-T627 VanDerWaalsContact CD2-CB 3.5Å; L617-T627 HydrophobicContact CD2-CG2 3.77Å; F620-T627 HydrophobicContact CB-CG2 3.56Å; F620-T627 HydrophobicContact CD2-CG2 4.1Å; F620-T627 HydrophobicContact CG-CG2 4.35Å; T627-T678 VanDerWaalsContact CA-O 3.31Å; T627-T678 WeakPolarHBondContact CA-O 3.33Å; T627-S1194 PolarHBondContact N-O 2.9Å; T627-S1194 PolarHBondContact OG1-O 2.73Å; T627-Y1195 WeakPolarHBondContact O-CD2 3.45Å |
| 628 | L | 91.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.2 | 171 | -67.5 | 166.6 | 0 | 0 | 0 | 109.6 | L531 G592 A677 T678 I680 Y1195 F1197 | L531-L628 HydrophobicContact CD1-CD1 3.76Å; G592-L628 WeakPolarHBondContact O-CA 3.46Å; L628-A677 CarbonylContact O-C 3.13Å; L628-A677 WeakPolarHBondContact O-CA 3.29Å; L628-T678 PolarHBondContact N-O 2.85Å; L628-T678 PolarHBondContact O-N 3.45Å; L628-I680 HydrophobicContact CD1-CD1 4.27Å; L628-Y1195 HydrophobicContact CD2-CD2 3.77Å; L628-Y1195 HydrophobicContact CD2-CE2 3.42Å; L628-Y1195 VanDerWaalsContact CD2-CE2 3.42Å; L628-F1197 HydrophobicContact CD1-CD2 3.85Å; L628-F1197 HydrophobicContact CD1-CE2 4.07Å; L628-F1197 HydrophobicContact CD2-CB 4.33Å; L628-F1197 HydrophobicContact CD2-CD2 4.19Å; L628-F1197 HydrophobicContact CD2-CG 4.42Å |
| 629 | C | 93.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.3 | 171.5 | -70.7 | 0 | 0 | 0 | 0 | 110.4 | K591 G592 D594 I597 L674 | K591-C629 WeakPolarHBondContact CA-O 3.3Å; G592-C629 PolarHBondContact N-O 2.92Å; G592-C629 PolarHBondContact O-N 3.02Å; D594-C629 VanDerWaalsContact CA-SG 3.52Å; I597-C629 HydrophobicContact CB-CB 3.76Å; I597-C629 HydrophobicContact CG1-CB 4.12Å; I597-C629 HydrophobicContact CG2-CB 3.73Å; C629-L674 HydrophobicContact CB-CD1 4.46Å |
| 630 | L | 94.7 | Very high | 87 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.7 | 178.5 | -55 | -178.5 | 0 | 0 | 0 | 109.3 | F500 L504 C590 K591 I675 G676 T678 | F500-L630 HydrophobicContact CD2-CD1 3.52Å; F500-L630 HydrophobicContact CE2-CD1 3.48Å; F500-L630 VanDerWaalsContact CE2-CD1 3.48Å; F500-L630 HydrophobicContact CG-CD1 4.31Å; F500-L630 HydrophobicContact CZ-CD1 4.26Å; L504-L630 HydrophobicContact CD2-CD1 3.7Å; L504-L630 HydrophobicContact CD2-CD2 3.93Å; L504-L630 HydrophobicContact CD2-CG 4.47Å; L504-L630 HydrophobicContact CG-CD1 4.01Å; C590-L630 WeakPolarHBondContact O-CA 3.36Å; K591-L630 HydrophobicContact CB-CD2 3.43Å; K591-L630 VanDerWaalsContact CB-CD2 3.43Å; L630-I675 HydrophobicContact CB-CB 4.27Å; L630-I675 HydrophobicContact CB-CD1 4.41Å; L630-I675 PolarHBondContact O-N 2.79Å; L630-G676 PolarHBondContact N-O 3.2Å; L630-G676 PolarHBondContact O-N 3.02Å; L630-T678 HydrophobicContact CD1-CG2 3.94Å; L630-T678 HydrophobicContact CG-CG2 4.29Å |
| 631 | A | 94.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | C590 I597 M672 S673 | C590-A631 PolarHBondContact N-O 3.32Å; C590-A631 PolarHBondContact O-N 2.92Å; I597-A631 HydrophobicContact CG2-CB 3.87Å; A631-M672 HydrophobicContact CB-CB 3.87Å; A631-M672 HydrophobicContact CB-CE 3.94Å; A631-M672 HydrophobicContact CB-SD 4.09Å; A631-S673 CarbonylContact C-O 3.54Å; A631-S673 VanDerWaalsContact CA-O 3.25Å; A631-S673 WeakPolarHBondContact CA-O 3.36Å |
| 632 | Y | 92.7 | Very high | 87.8 | Confident | 69 Ų | 69 | 48 Ų | 48 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 156.1 | 177.3 | 88.5 | -83.4 | 0 | 0 | 0 | 111.6 | L499 L588 I634 S673 I675 | L499-Y632 HydrophobicContact CD1-CE1 4.44Å; L588-Y632 CarbonylContact O-C 3.46Å; L588-Y632 WeakPolarHBondContact O-CA 3.32Å; Y632-I634 HydrophobicContact CE2-CG1 4.43Å; Y632-S673 PolarHBondContact N-O 2.83Å; Y632-S673 PolarHBondContact O-N 3.21Å; Y632-I675 HydrophobicContact CD1-CD1 4.26Å; Y632-I675 HydrophobicContact CD1-CG1 3.68Å; Y632-I675 HydrophobicContact CG-CD1 4.43Å; Y632-I675 HydrophobicContact CG-CG1 4.33Å |
| 633 | K | 92.9 | Very high | 88.9 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 136.5 | 173.2 | -178.2 | 178 | 175.5 | -175.2 | 0 | 110.4 | L588 V635 I668 T670 M672 | L588-K633 HydrophobicContact CB-CB 4.25Å; L588-K633 HydrophobicContact CD2-CB 4.12Å; L588-K633 HydrophobicContact CD2-CD 4.33Å; L588-K633 PolarHBondContact N-O 2.88Å; L588-K633 PolarHBondContact O-N 2.75Å; K633-V635 HydrophobicContact CG-CG2 4.5Å; K633-I668 PolarHBondContact NZ-O 2.83Å; K633-T670 PolarHBondContact NZ-O 3.42Å; K633-M672 HydrophobicContact CB-CB 4.42Å; K633-M672 HydrophobicContact CB-CG 4.08Å; K633-M672 HydrophobicContact CD-CG 4.28Å |
| 634 | I | 92 | Very high | 89.7 | Confident | 107 Ų | 107 | 44.1 Ų | 44.1 | 55% | 0.549 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.7 | 169.1 | -60.1 | 174.2 | 0 | 0 | 0 | 107.2 | Y632 | Y632-I634 HydrophobicContact CE2-CG1 4.43Å |
| 635 | V | 90.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.1 | -176.8 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | T586 L588 K633 Y639 F640 I668 | T586-V635 WeakPolarHBondContact CB-O 3.19Å; T586-V635 HydrophobicContact CG2-CB 4.23Å; T586-V635 PolarHBondContact O-N 3.42Å; L588-V635 HydrophobicContact CB-CG2 3.8Å; K633-V635 HydrophobicContact CG-CG2 4.5Å; V635-Y639 HydrophobicContact CG1-CD1 3.75Å; V635-Y639 HydrophobicContact CG1-CE1 4.34Å; V635-F640 HydrophobicContact CG1-CB 4.03Å; V635-I668 HydrophobicContact CG1-CD1 4.21Å |
| 636 | D | 90.9 | Very high | 90.8 | Very high | 99 Ų | 99 | 53 Ų | 53 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | trans | -64.6 | 143.3 | 174.6 | -179.2 | 68.3 | 0 | 0 | 0 | 111.3 | D638 Y639 F640 | D636-D638 WeakPolarHBondContact OD2-CB 3.42Å; D636-D638 PolarHBondContact OD2-N 2.85Å; D636-Y639 PolarHBondContact OD2-N 2.86Å; D636-F640 WeakPolarHBondContact O-CB 3.35Å; D636-F640 PolarHBondContact O-N 3.34Å | ||
| 637 | K | 87.5 | Confident | 90.9 | Very high | 117 Ų | 117 | 54.2 Ų | 54.2 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | -174.1 | -175.4 | -175.8 | 173 | -169.2 | 0 | 112 | T641 | K637-T641 PolarHBondContact O-N 3.4Å; K637-T641 VanDerWaalsContact O-N 3.15Å; K637-T641 PolarHBondContact O-OG1 2.98Å |
| 638 | D | 89.2 | Confident | 90.4 | Very high | 122 Ų | 122 | 58 Ų | 58 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -74.5 | -43 | -177.8 | -62.9 | -24.9 | 0 | 0 | 0 | 109.3 | D636 F640 T641 E642 | D636-D638 WeakPolarHBondContact OD2-CB 3.42Å; D636-D638 PolarHBondContact OD2-N 2.85Å; D638-F640 PolarHBondContact O-N 3.39Å; D638-T641 PolarHBondContact O-N 2.88Å; D638-T641 VanDerWaalsContact O-N 3.14Å; D638-E642 PolarHBondContact O-N 3.23Å; D638-E642 VanDerWaalsContact O-N 3.09Å |
| 639 | Y | 91.5 | Very high | 90.1 | Very high | 69 Ų | 69 | 63.3 Ų | 63.3 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.3 | -44.7 | 171.8 | 178.2 | -97.6 | 0 | 0 | 0 | 112.6 | V635 D636 T641 E642 W643 E667 I668 | V635-Y639 HydrophobicContact CG1-CD1 3.75Å; V635-Y639 HydrophobicContact CG1-CE1 4.34Å; D636-Y639 PolarHBondContact OD2-N 2.86Å; Y639-T641 VanDerWaalsContact C-N 3.29Å; Y639-T641 PolarHBondContact O-N 3.38Å; Y639-E642 PolarHBondContact O-N 3.36Å; Y639-W643 HydrophobicContact CE1-CB 4.44Å; Y639-W643 VanDerWaalsContact O-CB 3.3Å; Y639-W643 WeakPolarHBondContact O-CB 3.41Å; Y639-W643 PolarHBondContact O-N 3.25Å; Y639-E667 PolarHBondContact OH-OE1 3.24Å; Y639-I668 HydrophobicContact CE1-CD1 4.42Å; Y639-I668 HydrophobicContact CE1-CG1 4.27Å |
| 640 | F | 90.5 | Very high | 89.5 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 177.7 | 178.1 | -99.6 | 0 | 0 | 0 | 112.1 | L564 I579 T586 V635 D636 D638 W643 N644 I668 | L564-F640 HydrophobicContact CB-CE1 3.96Å; L564-F640 HydrophobicContact CB-CZ 3.67Å; L564-F640 HydrophobicContact CD1-CD1 4.04Å; L564-F640 HydrophobicContact CD1-CE1 3.69Å; L564-F640 HydrophobicContact CD1-CZ 4.04Å; L564-F640 HydrophobicContact CG-CE1 4.31Å; L564-F640 HydrophobicContact CG-CZ 4.46Å; I579-F640 HydrophobicContact CB-CE2 4.3Å; I579-F640 HydrophobicContact CD1-CD2 4.15Å; I579-F640 HydrophobicContact CD1-CE2 3.62Å; I579-F640 HydrophobicContact CG2-CD2 4.03Å; I579-F640 HydrophobicContact CG2-CE2 3.74Å; I579-F640 HydrophobicContact CG2-CZ 4.32Å; T586-F640 HydrophobicContact CG2-CG 4.42Å; V635-F640 HydrophobicContact CG1-CB 4.03Å; D636-F640 WeakPolarHBondContact O-CB 3.35Å; D636-F640 PolarHBondContact O-N 3.34Å; D638-F640 PolarHBondContact O-N 3.39Å; F640-W643 AromaticContact CD2-CE3 3.98Å; F640-W643 HydrophobicContact CD2-CE3 3.98Å; F640-W643 HydrophobicContact CD2-CZ3 4.48Å; F640-W643 AromaticContact CE2-CE3 3.71Å; F640-W643 HydrophobicContact CE2-CE3 3.71Å; F640-W643 AromaticContact CE2-CZ3 3.78Å; F640-W643 HydrophobicContact CE2-CZ3 3.78Å; F640-W643 HydrophobicContact CZ-CZ3 4.46Å; F640-W643 PolarHBondContact O-N 3.03Å; F640-N644 HydrophobicContact CE1-CB 4.36Å; F640-N644 HydrophobicContact CZ-CB 4.37Å; F640-N644 VanDerWaalsContact O-CB 3.29Å; F640-N644 WeakPolarHBondContact O-CB 3.33Å; F640-N644 PolarHBondContact O-N 3.1Å; F640-I668 HydrophobicContact CD2-CD1 4.17Å |
| 641 | T | 89.5 | Confident | 88.6 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 179.7 | -53.6 | 0 | 0 | 0 | 0 | 111 | K637 D638 Y639 K645 | K637-T641 PolarHBondContact O-N 3.4Å; K637-T641 VanDerWaalsContact O-N 3.15Å; K637-T641 PolarHBondContact O-OG1 2.98Å; D638-T641 PolarHBondContact O-N 2.88Å; D638-T641 VanDerWaalsContact O-N 3.14Å; Y639-T641 VanDerWaalsContact C-N 3.29Å; Y639-T641 PolarHBondContact O-N 3.38Å; T641-K645 PolarHBondContact O-N 2.93Å |
| 642 | E | 91 | Very high | 87.9 | Confident | 123 Ų | 123 | 71 Ų | 71 | 58% | 0.575 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -68 | -43.1 | 174.4 | -176.2 | 175.2 | -168.9 | 0 | 0 | 112.4 | D638 Y639 N644 K645 R646 | D638-E642 PolarHBondContact O-N 3.23Å; D638-E642 VanDerWaalsContact O-N 3.09Å; Y639-E642 PolarHBondContact O-N 3.36Å; E642-N644 VanDerWaalsContact C-N 3.35Å; E642-N644 PolarHBondContact O-N 3.04Å; E642-K645 PolarHBondContact O-N 3.13Å; E642-R646 PolarHBondContact O-N 3.46Å |
| 643 | W | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.2 | 176.8 | 87.7 | 0 | 0 | 0 | 111.7 | L567 I579 Y639 F640 K645 R646 Y647 V664 I668 | L567-W643 HydrophobicContact CD1-CZ2 4.43Å; L567-W643 HydrophobicContact CD2-CH2 3.88Å; L567-W643 HydrophobicContact CD2-CZ2 4.23Å; I579-W643 HydrophobicContact CD1-CH2 4.34Å; I579-W643 HydrophobicContact CD1-CZ3 4.16Å; Y639-W643 HydrophobicContact CE1-CB 4.44Å; Y639-W643 VanDerWaalsContact O-CB 3.3Å; Y639-W643 WeakPolarHBondContact O-CB 3.41Å; Y639-W643 PolarHBondContact O-N 3.25Å; F640-W643 AromaticContact CD2-CE3 3.98Å; F640-W643 HydrophobicContact CD2-CE3 3.98Å; F640-W643 HydrophobicContact CD2-CZ3 4.48Å; F640-W643 AromaticContact CE2-CE3 3.71Å; F640-W643 HydrophobicContact CE2-CE3 3.71Å; F640-W643 AromaticContact CE2-CZ3 3.78Å; F640-W643 HydrophobicContact CE2-CZ3 3.78Å; F640-W643 HydrophobicContact CZ-CZ3 4.46Å; F640-W643 PolarHBondContact O-N 3.03Å; W643-K645 VanDerWaalsContact C-N 3.3Å; W643-K645 PolarHBondContact O-N 3.12Å; W643-R646 PolarHBondContact O-N 2.79Å; W643-R646 VanDerWaalsContact O-N 3.15Å; W643-Y647 HydrophobicContact CH2-CD1 4.4Å; W643-Y647 AromaticContact CH2-CD2 3.84Å; W643-Y647 HydrophobicContact CH2-CD2 3.84Å; W643-Y647 HydrophobicContact CH2-CE2 4.42Å; W643-Y647 AromaticContact CH2-CG 3.81Å; W643-Y647 HydrophobicContact CH2-CG 3.81Å; W643-Y647 AromaticContact CZ2-CD2 3.83Å; W643-Y647 HydrophobicContact CZ2-CD2 3.83Å; W643-Y647 HydrophobicContact CZ2-CG 4.14Å; W643-Y647 HydrophobicContact CZ3-CG 4.33Å; W643-Y647 WeakPolarHBondContact O-CB 3.24Å; W643-Y647 PolarHBondContact O-N 3.48Å; W643-V664 HydrophobicContact CZ2-CG1 4.14Å; W643-V664 VanDerWaalsContact NE1-CG1 3.29Å; W643-V664 PolarHBondContact NE1-O 3.47Å; W643-I668 HydrophobicContact CD2-CB 4.36Å; W643-I668 HydrophobicContact CD2-CD1 3.66Å; W643-I668 HydrophobicContact CD2-CG2 4.46Å; W643-I668 HydrophobicContact CE3-CD1 3.97Å; W643-I668 HydrophobicContact CG-CB 4.38Å; W643-I668 HydrophobicContact CG-CD1 3.93Å; W643-I668 HydrophobicContact CZ2-CB 4.46Å; W643-I668 HydrophobicContact CZ2-CG2 3.71Å |
| 644 | N | 88.4 | Confident | 86.4 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 179.9 | -168.9 | 81.2 | 0 | 0 | 0 | 111.5 | F640 E642 R646 Y647 D648 | F640-N644 HydrophobicContact CE1-CB 4.36Å; F640-N644 HydrophobicContact CZ-CB 4.37Å; F640-N644 VanDerWaalsContact O-CB 3.29Å; F640-N644 WeakPolarHBondContact O-CB 3.33Å; F640-N644 PolarHBondContact O-N 3.1Å; E642-N644 VanDerWaalsContact C-N 3.35Å; E642-N644 PolarHBondContact O-N 3.04Å; N644-R646 PolarHBondContact O-N 2.97Å; N644-Y647 PolarHBondContact O-N 2.98Å; N644-D648 PolarHBondContact ND2-OD2 2.88Å; N644-D648 WeakPolarHBondContact O-CB 3.22Å; N644-D648 VanDerWaalsContact O-CG 3.27Å; N644-D648 PolarHBondContact O-N 2.99Å |
| 645 | K | 88.3 | Confident | 85.8 | Confident | 132 Ų | 132 | 76.7 Ų | 76.7 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 174.4 | -174.1 | -175.6 | 174.5 | -169.7 | 0 | 111.7 | T641 E642 W643 Y647 D648 E649 | T641-K645 PolarHBondContact O-N 2.93Å; E642-K645 PolarHBondContact O-N 3.13Å; W643-K645 VanDerWaalsContact C-N 3.3Å; W643-K645 PolarHBondContact O-N 3.12Å; K645-Y647 VanDerWaalsContact C-N 3.34Å; K645-D648 PolarHBondContact O-N 2.59Å; K645-E649 VanDerWaalsContact CE-OE1 3.29Å; K645-E649 WeakPolarHBondContact CE-OE1 3.49Å; K645-E649 WeakPolarHBondContact O-CG 3.29Å; K645-E649 PolarHBondContact O-N 3.12Å |
| 646 | R | 89.7 | Confident | 85.1 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 26% | 0.26 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 177.4 | -69.2 | -174.6 | -69.8 | 138.1 | 0.9 | 112.5 | E642 W643 N644 E649 A650 E667 | E642-R646 PolarHBondContact O-N 3.46Å; W643-R646 PolarHBondContact O-N 2.79Å; W643-R646 VanDerWaalsContact O-N 3.15Å; N644-R646 PolarHBondContact O-N 2.97Å; R646-E649 PolarHBondContact O-N 3.21Å; R646-A650 WeakPolarHBondContact O-CB 3.33Å; R646-A650 PolarHBondContact O-N 3.18Å; R646-E667 IonicContact CZ-OE1 2.71Å; R646-E667 IonicContact CZ-OE2 3.67Å; R646-E667 VanDerWaalsContact NH1-CD 3.27Å; R646-E667 IonicContact NH1-OE1 3.45Å; R646-E667 PolarHBondContact NH1-OE1 3.15Å; R646-E667 VanDerWaalsContact NH1-OE1 3.09Å; R646-E667 IonicContact NH1-OE2 3.69Å; R646-E667 PolarHBondContact NH1-OE2 3.5Å; R646-E667 IonicContact NH2-OE1 3.01Å; R646-E667 PolarHBondContact NH2-OE1 2.83Å; R646-E667 IonicContact NH2-OE2 2.9Å |
| 647 | Y | 86.6 | Confident | 84.4 | Confident | 39 Ų | 39 | 82.5 Ų | 82.5 | 15% | 0.153 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 174.3 | -174.6 | -97.9 | 0 | 0 | 0 | 111.8 | L567 W643 N644 K645 A650 S651 M661 V664 | L567-Y647 HydrophobicContact CD2-CE2 4.03Å; W643-Y647 HydrophobicContact CH2-CD1 4.4Å; W643-Y647 AromaticContact CH2-CD2 3.84Å; W643-Y647 HydrophobicContact CH2-CD2 3.84Å; W643-Y647 HydrophobicContact CH2-CE2 4.42Å; W643-Y647 AromaticContact CH2-CG 3.81Å; W643-Y647 HydrophobicContact CH2-CG 3.81Å; W643-Y647 AromaticContact CZ2-CD2 3.83Å; W643-Y647 HydrophobicContact CZ2-CD2 3.83Å; W643-Y647 HydrophobicContact CZ2-CG 4.14Å; W643-Y647 HydrophobicContact CZ3-CG 4.33Å; W643-Y647 WeakPolarHBondContact O-CB 3.24Å; W643-Y647 PolarHBondContact O-N 3.48Å; N644-Y647 PolarHBondContact O-N 2.98Å; K645-Y647 VanDerWaalsContact C-N 3.34Å; Y647-A650 PolarHBondContact O-N 3.09Å; Y647-S651 WeakPolarHBondContact O-CB 3.45Å; Y647-S651 PolarHBondContact O-N 3.41Å; Y647-M661 HydrophobicContact CE1-CE 4.32Å; Y647-M661 HydrophobicContact CE2-CB 4.49Å; Y647-M661 HydrophobicContact CE2-CE 3.98Å; Y647-M661 WeakPolarHBondContact OH-CE 3.2Å; Y647-V664 HydrophobicContact CD2-CG1 4.16Å |
| 648 | D | 80.8 | Confident | 83.8 | Confident | 79 Ų | 79 | 81 Ų | 81 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.9 | -71.3 | -25.1 | 0 | 0 | 0 | 111 | N644 K645 A650 S651 V652 | N644-D648 PolarHBondContact ND2-OD2 2.88Å; N644-D648 WeakPolarHBondContact O-CB 3.22Å; N644-D648 VanDerWaalsContact O-CG 3.27Å; N644-D648 PolarHBondContact O-N 2.99Å; K645-D648 PolarHBondContact O-N 2.59Å; D648-A650 VanDerWaalsContact C-N 3.32Å; D648-A650 PolarHBondContact O-N 3.49Å; D648-S651 PolarHBondContact O-N 2.87Å; D648-S651 VanDerWaalsContact O-N 3.09Å; D648-S651 PolarHBondContact O-OG 3.05Å; D648-V652 WeakPolarHBondContact O-CG2 3.47Å; D648-V652 PolarHBondContact O-N 2.79Å |
| 649 | E | 84 | Confident | 83.4 | Confident | 114 Ų | 114 | 80.9 Ų | 80.9 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 173.8 | -73.8 | 170.7 | -170.6 | 0 | 0 | 112.1 | K645 R646 S651 V652 A653 | K645-E649 VanDerWaalsContact CE-OE1 3.29Å; K645-E649 WeakPolarHBondContact CE-OE1 3.49Å; K645-E649 WeakPolarHBondContact O-CG 3.29Å; K645-E649 PolarHBondContact O-N 3.12Å; R646-E649 PolarHBondContact O-N 3.21Å; E649-S651 VanDerWaalsContact C-N 3.34Å; E649-V652 PolarHBondContact O-N 3.4Å; E649-A653 PolarHBondContact O-N 3.47Å |
| 650 | A | 82 | Confident | 83 | Confident | 6 Ų | 6 | 83.9 Ų | 83.9 | 5% | 0.05 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66 | -35.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R646 Y647 D648 V652 A653 R657 R660 M661 V664 | R646-A650 WeakPolarHBondContact O-CB 3.33Å; R646-A650 PolarHBondContact O-N 3.18Å; Y647-A650 PolarHBondContact O-N 3.09Å; D648-A650 VanDerWaalsContact C-N 3.32Å; D648-A650 PolarHBondContact O-N 3.49Å; A650-V652 VanDerWaalsContact C-N 3.33Å; A650-V652 PolarHBondContact O-N 3.49Å; A650-A653 WeakPolarHBondContact O-CB 3.41Å; A650-A653 PolarHBondContact O-N 3.12Å; A650-R657 WeakPolarHBondContact O-CG 3.3Å; A650-R660 HydrophobicContact CB-CB 3.96Å; A650-M661 HydrophobicContact CB-CG 3.91Å; A650-V664 HydrophobicContact CB-CG2 4.37Å |
| 651 | S | 74.9 | Confident | 82.6 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.7 | -23.8 | -179.6 | 81.2 | 0 | 0 | 0 | 0 | 114.2 | Y647 D648 E649 R657 | Y647-S651 WeakPolarHBondContact O-CB 3.45Å; Y647-S651 PolarHBondContact O-N 3.41Å; D648-S651 PolarHBondContact O-N 2.87Å; D648-S651 VanDerWaalsContact O-N 3.09Å; D648-S651 PolarHBondContact O-OG 3.05Å; E649-S651 VanDerWaalsContact C-N 3.34Å; S651-R657 VanDerWaalsContact O-CD 3.25Å; S651-R657 WeakPolarHBondContact O-CD 3.37Å |
| 652 | V | 78.9 | Confident | 82.4 | Confident | 115 Ų | 115 | 82.2 Ų | 82.2 | 70% | 0.697 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -94.4 | -7.6 | 178.9 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | D648 E649 A650 L654 | D648-V652 WeakPolarHBondContact O-CG2 3.47Å; D648-V652 PolarHBondContact O-N 2.79Å; E649-V652 PolarHBondContact O-N 3.4Å; A650-V652 VanDerWaalsContact C-N 3.33Å; A650-V652 PolarHBondContact O-N 3.49Å; V652-L654 PolarHBondContact O-N 2.89Å |
| 653 | A | 78.2 | Confident | 82.2 | Confident | 15 Ų | 15 | 79.4 Ų | 79.4 | 12% | 0.124 | 39% | 0.394 | C | S | . | . | trans | -60 | 130.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | E649 A650 R657 | E649-A653 PolarHBondContact O-N 3.47Å; A650-A653 WeakPolarHBondContact O-CB 3.41Å; A650-A653 PolarHBondContact O-N 3.12Å; A653-R657 WeakPolarHBondContact O-CB 3.35Å; A653-R657 WeakPolarHBondContact O-CG 3.23Å | ||
| 654 | L | 77.5 | Confident | 82.1 | Confident | 180 Ų | 180 | 80.4 Ų | 80.4 | 94% | 0.942 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -75.6 | -31 | 177.3 | -68.5 | 169.5 | 0 | 0 | 0 | 112.5 | V652 | V652-L654 PolarHBondContact O-N 2.89Š|
| 655 | E | 78.4 | Confident | 82.1 | Confident | 144 Ų | 144 | 78.3 Ų | 78.3 | 67% | 0.673 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -116.3 | 140.3 | -178.2 | -65 | -177.8 | 171.8 | 0 | 0 | 111.1 | R657 | E655-R657 PolarHBondContact O-N 3.22Š|
| 656 | N | 76.9 | Confident | 82.1 | Confident | 102 Ų | 102 | 74.9 Ų | 74.9 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 48.8 | 31 | 179.6 | -59.7 | -10.8 | 0 | 0 | 0 | 114.2 | Q658 E659 R660 | N656-Q658 VanDerWaalsContact C-N 3.28Å; N656-Q658 PolarHBondContact O-N 3.5Å; N656-E659 HydrophobicContact CB-CB 4.47Å; N656-E659 PolarHBondContact O-N 2.96Å; N656-E659 VanDerWaalsContact O-N 3.16Å; N656-R660 WeakPolarHBondContact O-CG 3.41Å; N656-R660 PolarHBondContact O-N 3.26Å |
| 657 | R | 76 | Confident | 82.2 | Confident | 126 Ų | 126 | 74.8 Ų | 74.8 | 48% | 0.475 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -47.6 | -50.3 | -178.1 | -168.3 | -177.5 | 69.5 | 168.3 | 2.8 | 112.1 | A650 S651 A653 E655 R660 M661 | A650-R657 WeakPolarHBondContact O-CG 3.3Å; S651-R657 VanDerWaalsContact O-CD 3.25Å; S651-R657 WeakPolarHBondContact O-CD 3.37Å; A653-R657 WeakPolarHBondContact O-CB 3.35Å; A653-R657 WeakPolarHBondContact O-CG 3.23Å; E655-R657 PolarHBondContact O-N 3.22Å; R657-R660 PolarHBondContact O-N 3.48Å; R657-M661 HydrophobicContact CG-SD 3.97Å; R657-M661 WeakPolarHBondContact O-CB 3.41Å; R657-M661 WeakPolarHBondContact O-CG 3.33Å; R657-M661 PolarHBondContact O-N 3.3Å |
| 658 | Q | 73.9 | Confident | 82.5 | Confident | 85 Ų | 85 | 73 Ų | 73 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | -176.6 | -168.5 | 61.3 | 41.2 | 0 | 0 | 112.4 | N656 M661 D662 | N656-Q658 VanDerWaalsContact C-N 3.28Å; N656-Q658 PolarHBondContact O-N 3.5Å; Q658-M661 PolarHBondContact O-N 3.31Å; Q658-D662 PolarHBondContact NE2-OD1 2.86Å; Q658-D662 WeakPolarHBondContact O-CB 3.3Å; Q658-D662 PolarHBondContact O-N 3.07Å |
| 659 | E | 81.8 | Confident | 83 | Confident | 120 Ų | 120 | 69.2 Ų | 69.2 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.4 | -40.9 | 179.2 | -63.9 | -178.5 | 167.6 | 0 | 0 | 111.6 | N656 D662 A663 | N656-E659 HydrophobicContact CB-CB 4.47Å; N656-E659 PolarHBondContact O-N 2.96Å; N656-E659 VanDerWaalsContact O-N 3.16Å; E659-D662 PolarHBondContact O-N 3.46Å; E659-A663 WeakPolarHBondContact O-CB 3.44Å; E659-A663 PolarHBondContact O-N 3.33Å |
| 660 | R | 83.5 | Confident | 83.4 | Confident | 131 Ų | 131 | 66.7 Ų | 66.7 | 49% | 0.494 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.2 | -68.4 | -176.6 | -175.5 | -175.1 | 5 | 111.5 | A650 N656 R657 A663 V664 | A650-R660 HydrophobicContact CB-CB 3.96Å; N656-R660 WeakPolarHBondContact O-CG 3.41Å; N656-R660 PolarHBondContact O-N 3.26Å; R657-R660 PolarHBondContact O-N 3.48Å; R660-A663 PolarHBondContact O-N 2.96Å; R660-V664 WeakPolarHBondContact O-CG2 3.44Å; R660-V664 PolarHBondContact O-N 2.93Å; R660-V664 VanDerWaalsContact O-N 3.12Å |
| 661 | M | 82.1 | Confident | 83.7 | Confident | 28 Ų | 28 | 67.4 Ų | 67.4 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.1 | -72.3 | 177.3 | 72.6 | 0 | 0 | 111.4 | Y647 A650 R657 Q658 A663 V664 C665 | Y647-M661 HydrophobicContact CE1-CE 4.32Å; Y647-M661 HydrophobicContact CE2-CB 4.49Å; Y647-M661 HydrophobicContact CE2-CE 3.98Å; Y647-M661 WeakPolarHBondContact OH-CE 3.2Å; A650-M661 HydrophobicContact CB-CG 3.91Å; R657-M661 HydrophobicContact CG-SD 3.97Å; R657-M661 WeakPolarHBondContact O-CB 3.41Å; R657-M661 WeakPolarHBondContact O-CG 3.33Å; R657-M661 PolarHBondContact O-N 3.3Å; Q658-M661 PolarHBondContact O-N 3.31Å; M661-A663 VanDerWaalsContact C-N 3.33Å; M661-A663 PolarHBondContact O-N 3.15Å; M661-V664 PolarHBondContact O-N 3.22Å; M661-C665 WeakPolarHBondContact O-CB 3.26Å; M661-C665 PolarHBondContact O-N 3.46Å; M661-C665 PolarHBondContact O-SG 3.35Å |
| 662 | D | 84 | Confident | 84.5 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 179.4 | -72.5 | -20.7 | 0 | 0 | 0 | 111.5 | N570 R573 Q658 E659 C665 E666 | N570-D662 PolarHBondContact ND2-OD1 2.93Å; R573-D662 WeakPolarHBondContact CD-OD1 3.34Å; Q658-D662 PolarHBondContact NE2-OD1 2.86Å; Q658-D662 WeakPolarHBondContact O-CB 3.3Å; Q658-D662 PolarHBondContact O-N 3.07Å; E659-D662 PolarHBondContact O-N 3.46Å; D662-C665 WeakPolarHBondContact O-CB 3.43Å; D662-C665 PolarHBondContact O-N 2.89Å; D662-E666 WeakPolarHBondContact O-CB 3.36Å; D662-E666 PolarHBondContact O-N 3.24Å |
| 663 | A | 87.5 | Confident | 85.1 | Confident | 64 Ų | 64 | 61.6 Ų | 61.6 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E659 R660 M661 C665 E666 E667 | E659-A663 WeakPolarHBondContact O-CB 3.44Å; E659-A663 PolarHBondContact O-N 3.33Å; R660-A663 PolarHBondContact O-N 2.96Å; M661-A663 VanDerWaalsContact C-N 3.33Å; M661-A663 PolarHBondContact O-N 3.15Å; A663-C665 VanDerWaalsContact C-N 3.34Å; A663-E666 WeakPolarHBondContact O-CB 3.17Å; A663-E666 PolarHBondContact O-N 3Å; A663-E667 PolarHBondContact O-N 3.5Å |
| 664 | V | 89.8 | Confident | 85.8 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | W643 Y647 A650 R660 M661 E667 | W643-V664 HydrophobicContact CZ2-CG1 4.14Å; W643-V664 VanDerWaalsContact NE1-CG1 3.29Å; W643-V664 PolarHBondContact NE1-O 3.47Å; Y647-V664 HydrophobicContact CD2-CG1 4.16Å; A650-V664 HydrophobicContact CB-CG2 4.37Å; R660-V664 WeakPolarHBondContact O-CG2 3.44Å; R660-V664 PolarHBondContact O-N 2.93Å; R660-V664 VanDerWaalsContact O-N 3.12Å; M661-V664 PolarHBondContact O-N 3.22Å; V664-E667 PolarHBondContact O-N 2.88Å |
| 665 | C | 89.5 | Confident | 86.5 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.2 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | L567 M661 D662 A663 E667 I668 E669 | L567-C665 HydrophobicContact CD1-CB 4.19Å; M661-C665 WeakPolarHBondContact O-CB 3.26Å; M661-C665 PolarHBondContact O-N 3.46Å; M661-C665 PolarHBondContact O-SG 3.35Å; D662-C665 WeakPolarHBondContact O-CB 3.43Å; D662-C665 PolarHBondContact O-N 2.89Å; A663-C665 VanDerWaalsContact C-N 3.34Å; C665-E667 VanDerWaalsContact C-N 3.27Å; C665-E667 PolarHBondContact O-N 3.12Å; C665-I668 WeakPolarHBondContact O-CG2 3.17Å; C665-I668 PolarHBondContact O-N 3.06Å; C665-E669 WeakPolarHBondContact O-CB 3.39Å; C665-E669 VanDerWaalsContact O-CG 3.24Å; C665-E669 WeakPolarHBondContact O-CG 3.42Å; C665-E669 PolarHBondContact O-N 3.36Å |
| 666 | E | 89.2 | Confident | 87.2 | Confident | 61 Ų | 61 | 45.7 Ų | 45.7 | 29% | 0.285 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.7 | -42.9 | 178.3 | -173.7 | 67.6 | -148 | 0 | 0 | 111.5 | R575 R600 D662 A663 I668 E669 T670 | R575-E666 IonicContact CZ-OE2 2.81Å; R575-E666 IonicContact NH1-OE2 2.63Å; R575-E666 PolarHBondContact NH1-OE2 2.95Å; R575-E666 IonicContact NH2-OE2 2.69Å; R575-E666 PolarHBondContact NH2-OE2 3.08Å; R600-E666 IonicContact CZ-OE1 2.76Å; R600-E666 IonicContact CZ-OE2 3.57Å; R600-E666 IonicContact NE-OE1 2.81Å; R600-E666 PolarHBondContact NE-OE1 3.17Å; R600-E666 IonicContact NE-OE2 2.65Å; R600-E666 PolarHBondContact NE-OE2 3.1Å; R600-E666 IonicContact NH2-OE1 2.64Å; R600-E666 PolarHBondContact NH2-OE1 3.3Å; R600-E666 IonicContact NH2-OE2 2.69Å; R600-E666 PolarHBondContact NH2-OE2 3.35Å; D662-E666 WeakPolarHBondContact O-CB 3.36Å; D662-E666 PolarHBondContact O-N 3.24Å; A663-E666 WeakPolarHBondContact O-CB 3.17Å; A663-E666 PolarHBondContact O-N 3Å; E666-I668 PolarHBondContact O-N 3.27Å; E666-E669 PolarHBondContact O-N 3.38Å; E666-T670 WeakPolarHBondContact O-CG2 3.42Å; E666-T670 PolarHBondContact O-N 2.77Å |
| 667 | E | 90.8 | Very high | 88 | Confident | 67 Ų | 67 | 40.9 Ų | 40.9 | 31% | 0.313 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.4 | -50 | -179 | -172.3 | -172.2 | 151.8 | 0 | 0 | 113.1 | Y639 R646 A663 V664 C665 E669 T670 | Y639-E667 PolarHBondContact OH-OE1 3.24Å; R646-E667 IonicContact CZ-OE1 2.71Å; R646-E667 IonicContact CZ-OE2 3.67Å; R646-E667 VanDerWaalsContact NH1-CD 3.27Å; R646-E667 IonicContact NH1-OE1 3.45Å; R646-E667 PolarHBondContact NH1-OE1 3.15Å; R646-E667 VanDerWaalsContact NH1-OE1 3.09Å; R646-E667 IonicContact NH1-OE2 3.69Å; R646-E667 PolarHBondContact NH1-OE2 3.5Å; R646-E667 IonicContact NH2-OE1 3.01Å; R646-E667 PolarHBondContact NH2-OE1 2.83Å; R646-E667 IonicContact NH2-OE2 2.9Å; A663-E667 PolarHBondContact O-N 3.5Å; V664-E667 PolarHBondContact O-N 2.88Å; C665-E667 VanDerWaalsContact C-N 3.27Å; C665-E667 PolarHBondContact O-N 3.12Å; E667-E669 VanDerWaalsContact C-N 3.28Å; E667-E669 PolarHBondContact O-N 2.69Å; E667-T670 PolarHBondContact O-N 2.56Å; E667-T670 PolarHBondContact O-OG1 3.05Å |
| 668 | I | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.7 | -28.4 | -178.2 | -168 | 159.3 | 0 | 0 | 0 | 112.6 | L567 I579 K633 V635 Y639 F640 W643 C665 E666 T670 | L567-I668 HydrophobicContact CD1-CG2 4.03Å; I579-I668 HydrophobicContact CD1-CD1 3.68Å; K633-I668 PolarHBondContact NZ-O 2.83Å; V635-I668 HydrophobicContact CG1-CD1 4.21Å; Y639-I668 HydrophobicContact CE1-CD1 4.42Å; Y639-I668 HydrophobicContact CE1-CG1 4.27Å; F640-I668 HydrophobicContact CD2-CD1 4.17Å; W643-I668 HydrophobicContact CD2-CB 4.36Å; W643-I668 HydrophobicContact CD2-CD1 3.66Å; W643-I668 HydrophobicContact CD2-CG2 4.46Å; W643-I668 HydrophobicContact CE3-CD1 3.97Å; W643-I668 HydrophobicContact CG-CB 4.38Å; W643-I668 HydrophobicContact CG-CD1 3.93Å; W643-I668 HydrophobicContact CZ2-CB 4.46Å; W643-I668 HydrophobicContact CZ2-CG2 3.71Å; C665-I668 WeakPolarHBondContact O-CG2 3.17Å; C665-I668 PolarHBondContact O-N 3.06Å; E666-I668 PolarHBondContact O-N 3.27Å; I668-T670 VanDerWaalsContact C-N 3.33Å |
| 669 | E | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.2 | -178.5 | -64.8 | 175.7 | 141.7 | 0 | 0 | 113.9 | L567 R573 R575 S577 L588 C665 E666 E667 M672 | L567-E669 HydrophobicContact CD1-CG 4.25Å; R573-E669 IonicContact CZ-OE1 2.73Å; R573-E669 IonicContact CZ-OE2 3.54Å; R573-E669 IonicContact NE-OE2 3.99Å; R573-E669 IonicContact NH2-OE1 3.54Å; R573-E669 PolarHBondContact NH2-OE1 2.82Å; R573-E669 IonicContact NH2-OE2 3.51Å; R573-E669 PolarHBondContact NH2-OE2 3.43Å; R575-E669 IonicContact CZ-OE2 3.18Å; R575-E669 IonicContact NE-OE1 3.5Å; R575-E669 IonicContact NE-OE2 3.24Å; R575-E669 PolarHBondContact NE-OE2 3.03Å; R575-E669 IonicContact NH2-OE2 3.59Å; R575-E669 PolarHBondContact NH2-OE2 3.14Å; S577-E669 VanDerWaalsContact CB-OE1 3.24Å; S577-E669 WeakPolarHBondContact CB-OE1 3.44Å; S577-E669 PolarHBondContact OG-OE1 2.91Å; L588-E669 HydrophobicContact CD2-CG 4.47Å; C665-E669 WeakPolarHBondContact O-CB 3.39Å; C665-E669 VanDerWaalsContact O-CG 3.24Å; C665-E669 WeakPolarHBondContact O-CG 3.42Å; C665-E669 PolarHBondContact O-N 3.36Å; E666-E669 PolarHBondContact O-N 3.38Å; E667-E669 VanDerWaalsContact C-N 3.28Å; E667-E669 PolarHBondContact O-N 2.69Å; E669-M672 WeakPolarHBondContact O-CE 3.39Å; E669-M672 WeakPolarHBondContact O-CG 3.46Å |
| 670 | T | 90.8 | Very high | 90 | Very high | 62 Ų | 62 | 25.1 Ų | 25.1 | 38% | 0.38 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -86.8 | 144.8 | 172.9 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | K633 E666 E667 I668 | K633-T670 PolarHBondContact NZ-O 3.42Å; E666-T670 WeakPolarHBondContact O-CG2 3.42Å; E666-T670 PolarHBondContact O-N 2.77Å; E667-T670 PolarHBondContact O-N 2.56Å; E667-T670 PolarHBondContact O-OG1 3.05Å; I668-T670 VanDerWaalsContact C-N 3.33Å |
| 671 | G | 88.9 | Confident | 90 | Very high | 21 Ų | 21 | 22 Ų | 22 | 22% | 0.216 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 71.7 | 45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R600 N602 | R600-G671 WeakPolarHBondContact O-CA 3.12Å; R600-G671 PolarHBondContact O-N 2.82Å; N602-G671 PolarHBondContact ND2-O 2.99Å; N602-G671 VanDerWaalsContact ND2-O 3.13Å; N602-G671 WeakPolarHBondContact OD1-CA 3.38Å |
| 672 | M | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 169.4 | 173.6 | -56.1 | -178.5 | -66.4 | 0 | 0 | 111 | L588 C590 I597 R600 I601 N602 A631 K633 E669 | L588-M672 HydrophobicContact CD2-CG 4.44Å; L588-M672 HydrophobicContact CD2-SD 4.12Å; C590-M672 HydrophobicContact CB-CE 4.12Å; C590-M672 HydrophobicContact CB-SD 3.54Å; C590-M672 VanDerWaalsContact CB-SD 3.54Å; I597-M672 HydrophobicContact CD1-CE 4.27Å; R600-M672 HydrophobicContact CB-CE 3.87Å; R600-M672 PolarHBondContact O-N 3.08Å; I601-M672 CarbonylContact C-O 3.5Å; I601-M672 VanDerWaalsContact CA-O 3.28Å; I601-M672 WeakPolarHBondContact CA-O 3.3Å; N602-M672 PolarHBondContact N-O 3.04Å; A631-M672 HydrophobicContact CB-CB 3.87Å; A631-M672 HydrophobicContact CB-CE 3.94Å; A631-M672 HydrophobicContact CB-SD 4.09Å; K633-M672 HydrophobicContact CB-CB 4.42Å; K633-M672 HydrophobicContact CB-CG 4.08Å; K633-M672 HydrophobicContact CD-CG 4.28Å; E669-M672 WeakPolarHBondContact O-CE 3.39Å; E669-M672 WeakPolarHBondContact O-CG 3.46Å |
| 673 | S | 91.3 | Very high | 89.8 | Confident | 31 Ų | 31 | 23.1 Ų | 23.1 | 22% | 0.217 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.5 | 172.3 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | E603 A631 Y632 I675 | E603-S673 WeakPolarHBondContact OE1-CA 3.36Å; E603-S673 VanDerWaalsContact OE1-CB 3.22Å; E603-S673 WeakPolarHBondContact OE1-CB 3.48Å; E603-S673 PolarHBondContact OE1-OG 2.85Å; A631-S673 CarbonylContact C-O 3.54Å; A631-S673 VanDerWaalsContact CA-O 3.25Å; A631-S673 WeakPolarHBondContact CA-O 3.36Å; Y632-S673 PolarHBondContact N-O 2.83Å; Y632-S673 PolarHBondContact O-N 3.21Å; S673-I675 PolarHBondContact O-N 2.84Å |
| 674 | L | 92.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 124.4 | -178 | 178.6 | 66.2 | 0 | 0 | 0 | 110.2 | M598 I601 E603 M609 T613 C629 | M598-L674 HydrophobicContact CE-CD1 4.48Å; M598-L674 HydrophobicContact CE-CD2 4.01Å; M598-L674 HydrophobicContact SD-CD1 4.47Å; M598-L674 HydrophobicContact SD-CD2 4.06Å; I601-L674 HydrophobicContact CD1-CB 3.58Å; I601-L674 HydrophobicContact CD1-CD1 3.64Å; I601-L674 HydrophobicContact CD1-CD2 4.37Å; I601-L674 HydrophobicContact CD1-CG 4.05Å; I601-L674 HydrophobicContact CG1-CB 4.19Å; I601-L674 HydrophobicContact CG2-CB 4.18Å; E603-L674 WeakPolarHBondContact OE2-CB 3.31Å; E603-L674 PolarHBondContact OE2-N 2.9Å; M609-L674 HydrophobicContact CE-CB 3.61Å; M609-L674 HydrophobicContact CE-CD2 4.09Å; M609-L674 HydrophobicContact CE-CG 4.09Å; M609-L674 VanDerWaalsContact CE-O 3.28Å; M609-L674 WeakPolarHBondContact CE-O 3.32Å; T613-L674 HydrophobicContact CG2-CD2 4.12Å; C629-L674 HydrophobicContact CB-CD1 4.46Å |
| 675 | I | 92.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -41.9 | 172.3 | -56.4 | 167.4 | 0 | 0 | 0 | 109.8 | N429 L499 F500 C503 L630 Y632 S673 | N429-I675 PolarHBondContact N-O 2.92Å; L499-I675 HydrophobicContact CB-CG2 4.48Å; F500-I675 HydrophobicContact CB-CG2 3.78Å; F500-I675 HydrophobicContact CD2-CG2 4.29Å; C503-I675 HydrophobicContact CB-CD1 4.02Å; L630-I675 HydrophobicContact CB-CB 4.27Å; L630-I675 HydrophobicContact CB-CD1 4.41Å; L630-I675 PolarHBondContact O-N 2.79Å; Y632-I675 HydrophobicContact CD1-CD1 4.26Å; Y632-I675 HydrophobicContact CD1-CG1 3.68Å; Y632-I675 HydrophobicContact CG-CD1 4.43Å; Y632-I675 HydrophobicContact CG-CG1 4.33Å; S673-I675 PolarHBondContact O-N 2.84Å |
| 676 | G | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | -157.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S427 L630 | S427-G676 CarbonylContact O-C 3.57Å; S427-G676 WeakPolarHBondContact O-CA 3.47Å; L630-G676 PolarHBondContact N-O 3.2Å; L630-G676 PolarHBondContact O-N 3.02Å |
| 677 | A | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 149.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C426 S427 T613 L617 L628 | C426-A677 CarbonylContact C-O 3.57Å; C426-A677 VanDerWaalsContact CA-O 3.24Å; C426-A677 WeakPolarHBondContact CA-O 3.32Å; C426-A677 VanDerWaalsContact CB-O 3.29Å; C426-A677 WeakPolarHBondContact CB-O 3.44Å; S427-A677 PolarHBondContact N-O 3.49Å; S427-A677 PolarHBondContact O-N 2.96Å; T613-A677 HydrophobicContact CG2-CB 4.02Å; L617-A677 HydrophobicContact CD2-CB 3.66Å; L617-A677 HydrophobicContact CG-CB 4.15Å; L628-A677 CarbonylContact O-C 3.13Å; L628-A677 WeakPolarHBondContact O-CA 3.29Å |
| 678 | T | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 149.7 | 173.4 | 71.2 | 0 | 0 | 0 | 0 | 110.6 | F423 F500 L504 L531 T627 L628 L630 | F423-T678 HydrophobicContact CE2-CG2 4.11Å; F500-T678 HydrophobicContact CE2-CG2 3.78Å; F500-T678 HydrophobicContact CZ-CG2 3.63Å; L504-T678 HydrophobicContact CD1-CG2 4.25Å; L504-T678 HydrophobicContact CD2-CG2 4.19Å; L531-T678 HydrophobicContact CD2-CG2 3.84Å; T627-T678 VanDerWaalsContact CA-O 3.31Å; T627-T678 WeakPolarHBondContact CA-O 3.33Å; L628-T678 PolarHBondContact N-O 2.85Å; L628-T678 PolarHBondContact O-N 3.45Å; L630-T678 HydrophobicContact CD1-CG2 3.94Å; L630-T678 HydrophobicContact CG-CG2 4.29Å |
| 679 | A | 91.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N424 K425 F620 L625 R626 | N424-A679 PolarHBondContact N-O 3.33Å; K425-A679 HydrophobicContact CB-CB 3.96Å; K425-A679 PolarHBondContact N-O 2.96Å; K425-A679 WeakPolarHBondContact O-CA 3.49Å; K425-A679 WeakPolarHBondContact O-CB 3.36Å; K425-A679 PolarHBondContact O-N 2.98Å; F620-A679 HydrophobicContact CB-CB 4.12Å; F620-A679 HydrophobicContact CD1-CB 4.24Å; F620-A679 HydrophobicContact CD2-CB 3.68Å; F620-A679 HydrophobicContact CE2-CB 4.08Å; F620-A679 HydrophobicContact CG-CB 3.75Å; L625-A679 HydrophobicContact CB-CB 4Å; L625-A679 HydrophobicContact CD1-CB 3.81Å; R626-A679 CarbonylContact O-C 3.57Å; R626-A679 WeakPolarHBondContact O-CA 3.49Å |
| 680 | I | 88.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.7 | -179 | -55.2 | 174.2 | 0 | 0 | 0 | 108.3 | M421 T422 D527 A530 L531 R626 L628 | M421-I680 HydrophobicContact CB-CG2 3.78Å; T422-I680 WeakPolarHBondContact O-CA 3.42Å; D527-I680 HydrophobicContact CB-CD1 3.89Å; A530-I680 HydrophobicContact CB-CG2 4.36Å; L531-I680 HydrophobicContact CD1-CD1 4.06Å; L531-I680 HydrophobicContact CD2-CD1 3.94Å; L531-I680 HydrophobicContact CD2-CG1 4.21Å; L531-I680 HydrophobicContact CG-CD1 3.78Å; R626-I680 HydrophobicContact CB-CB 4.37Å; R626-I680 PolarHBondContact N-O 3.05Å; R626-I680 PolarHBondContact O-N 3.45Å; L628-I680 HydrophobicContact CD1-CD1 4.27Å |
| 681 | E | 84.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 23.4 Ų | 23.4 | 30% | 0.299 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.2 | 173.5 | -174.2 | -177 | -176.5 | 0 | 0 | 109.9 | M421 T422 N424 L625 K683 | M421-E681 WeakPolarHBondContact CA-O 3.31Å; T422-E681 PolarHBondContact N-O 3.09Å; T422-E681 PolarHBondContact O-N 3.34Å; N424-E681 HydrophobicContact CB-CB 4.07Å; N424-E681 PolarHBondContact ND2-OE2 3.06Å; L625-E681 HydrophobicContact CD2-CB 3.65Å; L625-E681 HydrophobicContact CD2-CG 4.01Å; E681-K683 HydrophobicContact CG-CG 4.35Å; E681-K683 PolarHBondContact O-N 3.17Å |
| 682 | D | 80.7 | Confident | 88.3 | Confident | 14 Ų | 14 | 22.5 Ų | 22.5 | 8% | 0.075 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 98.4 | 164.3 | -171.4 | -4.3 | 0 | 0 | 0 | 107.6 | K412 M421 R626 L684 | K412-D682 IonicContact NZ-OD2 2.69Å; M421-D682 HydrophobicContact CE-CB 4.07Å; M421-D682 VanDerWaalsContact CE-CG 3.47Å; M421-D682 HydrophobicContact SD-CB 3.6Å; R626-D682 IonicContact CZ-OD2 3.92Å; R626-D682 IonicContact NE-OD2 3.56Å; R626-D682 IonicContact NH2-OD2 3.4Å; R626-D682 PolarHBondContact NH2-OD2 3.12Å; D682-L684 PolarHBondContact O-N 3.47Å |
| 683 | K | 81.8 | Confident | 88 | Confident | 72 Ų | 72 | 24.4 Ų | 24.4 | 31% | 0.313 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 124.2 | -168.6 | -76.8 | -168.3 | 165.8 | -179.1 | 0 | 111.4 | T417 Q418 I420 T422 E681 | T417-K683 CarbonylContact C-O 3.57Å; T417-K683 WeakPolarHBondContact CA-O 3.36Å; Q418-K683 PolarHBondContact N-O 3.42Å; I420-K683 WeakPolarHBondContact O-CB 3.39Å; I420-K683 PolarHBondContact O-N 3.46Å; T422-K683 HydrophobicContact CG2-CD 3.81Å; T422-K683 VanDerWaalsContact CG2-CE 3.46Å; T422-K683 HydrophobicContact CG2-CG 4.27Å; T422-K683 VanDerWaalsContact OG1-CE 3.23Å; T422-K683 WeakPolarHBondContact OG1-CE 3.48Å; E681-K683 HydrophobicContact CG-CG 4.35Å; E681-K683 PolarHBondContact O-N 3.17Å |
| 684 | L | 85.8 | Confident | 87.8 | Confident | 29 Ų | 29 | 25.2 Ų | 25.2 | 15% | 0.152 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 155.4 | 168.6 | -59.6 | -176.7 | 0 | 0 | 0 | 111.3 | L416 T417 Q418 D682 V688 P689 S732 C733 | L416-L684 CarbonylContact O-C 3.46Å; L416-L684 WeakPolarHBondContact O-CA 3.47Å; T417-L684 HydrophobicContact CG2-CD2 4.09Å; Q418-L684 PolarHBondContact NE2-O 3.42Å; D682-L684 PolarHBondContact O-N 3.47Å; L684-V688 HydrophobicContact CB-CB 4.45Å; L684-V688 HydrophobicContact CD1-CG1 4.49Å; L684-P689 HydrophobicContact CD1-CG 3.89Å; L684-S732 WeakPolarHBondContact CD1-O 3.49Å; L684-C733 VanDerWaalsContact CD2-SG 3.59Å |
| 685 | Q | 86.3 | Confident | 87.7 | Confident | 17 Ų | 17 | 25 Ų | 25 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 153.5 | 164.9 | -61.7 | -164.6 | 4.1 | 0 | 0 | 110.3 | G414 T415 L416 Q418 G687 V688 Q908 | G414-Q685 PolarHBondContact O-NE2 3.13Å; T415-Q685 PolarHBondContact O-NE2 3.43Å; L416-Q685 PolarHBondContact O-N 3.49Å; Q418-Q685 HydrophobicContact CG-CB 4.39Å; Q418-Q685 HydrophobicContact CG-CG 3.97Å; Q685-G687 PolarHBondContact O-N 2.86Å; Q685-V688 HydrophobicContact CB-CG2 3.66Å; Q685-V688 WeakPolarHBondContact O-CG2 3.2Å; Q685-V688 PolarHBondContact O-N 3.13Å; Q685-Q908 VanDerWaalsContact OE1-CA 3.28Å |
| 686 | E | 85.4 | Confident | 87.5 | Confident | 99 Ų | 99 | 27.9 Ų | 27.9 | 46% | 0.463 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 131 | 177.8 | -64.7 | -178.7 | 179.2 | 0 | 0 | 111.1 | V688 R910 | E686-V688 VanDerWaalsContact C-N 3.32Å; E686-V688 PolarHBondContact O-N 2.96Å; E686-R910 WeakPolarHBondContact O-CB 3.35Å; E686-R910 IonicContact OE2-CZ 2.72Å; E686-R910 IonicContact OE2-NH1 3.54Å; E686-R910 PolarHBondContact OE2-NH1 2.76Å; E686-R910 IonicContact OE2-NH2 3.74Å |
| 687 | G | 83.9 | Confident | 87.1 | Confident | 25 Ų | 25 | 30.1 Ų | 30.1 | 26% | 0.258 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 1.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q685 E690 T691 | Q685-G687 PolarHBondContact O-N 2.86Å; G687-E690 VanDerWaalsContact CA-OE2 3.24Å; G687-E690 WeakPolarHBondContact CA-OE2 3.48Å; G687-E690 PolarHBondContact O-N 3.25Å; G687-T691 WeakPolarHBondContact O-CB 3.36Å; G687-T691 PolarHBondContact O-N 2.69Å; G687-T691 PolarHBondContact O-OG1 2.73Å |
| 688 | V | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.5 | -49.5 | -178.2 | 168.1 | 0 | 0 | 0 | 0 | 112.8 | L416 L684 Q685 E686 E690 T691 I692 F909 | L416-V688 HydrophobicContact CB-CG1 4.46Å; L416-V688 HydrophobicContact CD2-CG1 3.72Å; L684-V688 HydrophobicContact CB-CB 4.45Å; L684-V688 HydrophobicContact CD1-CG1 4.49Å; Q685-V688 HydrophobicContact CB-CG2 3.66Å; Q685-V688 WeakPolarHBondContact O-CG2 3.2Å; Q685-V688 PolarHBondContact O-N 3.13Å; E686-V688 VanDerWaalsContact C-N 3.32Å; E686-V688 PolarHBondContact O-N 2.96Å; V688-E690 VanDerWaalsContact C-N 3.35Å; V688-E690 PolarHBondContact O-N 3.39Å; V688-T691 PolarHBondContact O-N 2.62Å; V688-I692 HydrophobicContact CG1-CD1 3.74Å; V688-I692 HydrophobicContact CG1-CG1 4.47Å; V688-I692 WeakPolarHBondContact O-CB 3.29Å; V688-I692 WeakPolarHBondContact O-CG1 3.35Å; V688-I692 PolarHBondContact O-N 3.16Å; V688-F909 HydrophobicContact CB-CD1 4.4Å; V688-F909 HydrophobicContact CG1-CD1 4.35Å; V688-F909 HydrophobicContact CG2-CB 4.01Å; V688-F909 HydrophobicContact CG2-CD1 3.87Å; V688-F909 HydrophobicContact CG2-CG 4.2Å |
| 689 | P | 84.7 | Confident | 86.5 | Confident | 19 Ų | 19 | 34.4 Ų | 34.4 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -37.5 | 180 | -22.3 | 34.7 | 0 | 0 | 0 | 113.3 | L684 A693 R734 | L684-P689 HydrophobicContact CD1-CG 3.89Å; P689-A693 WeakPolarHBondContact O-CB 3.5Å; P689-A693 PolarHBondContact O-N 2.87Å; P689-R734 HydrophobicContact CB-CG 4.21Å |
| 690 | E | 86.5 | Confident | 86.4 | Confident | 92 Ų | 92 | 34.5 Ų | 34.5 | 43% | 0.43 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 177.6 | -65.7 | 73 | -158.1 | 0 | 0 | 111.3 | G687 V688 A693 N694 | G687-E690 VanDerWaalsContact CA-OE2 3.24Å; G687-E690 WeakPolarHBondContact CA-OE2 3.48Å; G687-E690 PolarHBondContact O-N 3.25Å; V688-E690 VanDerWaalsContact C-N 3.35Å; V688-E690 PolarHBondContact O-N 3.39Å; E690-A693 PolarHBondContact O-N 3.04Å; E690-N694 PolarHBondContact O-N 2.95Å |
| 691 | T | 90.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 177.5 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | G687 V688 A693 N694 L695 F909 R910 E913 | G687-T691 WeakPolarHBondContact O-CB 3.36Å; G687-T691 PolarHBondContact O-N 2.69Å; G687-T691 PolarHBondContact O-OG1 2.73Å; V688-T691 PolarHBondContact O-N 2.62Å; T691-A693 VanDerWaalsContact C-N 3.33Å; T691-A693 PolarHBondContact O-N 3.36Å; T691-N694 PolarHBondContact O-N 3.33Å; T691-L695 HydrophobicContact CG2-CD1 3.92Å; T691-L695 HydrophobicContact CG2-CG 4.31Å; T691-L695 WeakPolarHBondContact O-CB 3.45Å; T691-L695 VanDerWaalsContact O-CG 3.26Å; T691-L695 WeakPolarHBondContact O-CG 3.48Å; T691-L695 PolarHBondContact O-N 2.97Å; T691-F909 HydrophobicContact CG2-CD1 4.09Å; T691-F909 HydrophobicContact CG2-CE1 3.77Å; T691-R910 WeakPolarHBondContact OG1-CA 3.4Å; T691-R910 PolarHBondContact OG1-O 3.23Å; T691-E913 HydrophobicContact CG2-CB 3.78Å; T691-E913 PolarHBondContact OG1-OE2 3Å |
| 692 | I | 88.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 175.3 | -75.9 | 173.2 | 0 | 0 | 0 | 110.7 | L416 V688 N694 L695 M696 I702 C733 F909 | L416-I692 HydrophobicContact CD2-CD1 4.17Å; V688-I692 HydrophobicContact CG1-CD1 3.74Å; V688-I692 HydrophobicContact CG1-CG1 4.47Å; V688-I692 WeakPolarHBondContact O-CB 3.29Å; V688-I692 WeakPolarHBondContact O-CG1 3.35Å; V688-I692 PolarHBondContact O-N 3.16Å; I692-N694 PolarHBondContact O-N 3.47Å; I692-L695 PolarHBondContact O-N 3.02Å; I692-M696 HydrophobicContact CG2-CE 3.63Å; I692-M696 HydrophobicContact CG2-SD 4.2Å; I692-M696 WeakPolarHBondContact O-CB 3.3Å; I692-M696 WeakPolarHBondContact O-CG 3.44Å; I692-M696 PolarHBondContact O-N 3.11Å; I692-I702 HydrophobicContact CB-CD1 4.14Å; I692-I702 HydrophobicContact CG1-CD1 3.89Å; I692-I702 HydrophobicContact CG2-CD1 4.01Å; I692-C733 HydrophobicContact CD1-CB 3.79Å; I692-F909 HydrophobicContact CD1-CE1 4.47Å; I692-F909 HydrophobicContact CG1-CE1 3.94Å; I692-F909 HydrophobicContact CG1-CZ 4.24Å |
| 693 | A | 85 | Confident | 87.5 | Confident | 40 Ų | 40 | 34 Ų | 34 | 33% | 0.331 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P689 E690 T691 M696 A697 | P689-A693 WeakPolarHBondContact O-CB 3.5Å; P689-A693 PolarHBondContact O-N 2.87Å; E690-A693 PolarHBondContact O-N 3.04Å; T691-A693 VanDerWaalsContact C-N 3.33Å; T691-A693 PolarHBondContact O-N 3.36Å; A693-M696 PolarHBondContact O-N 3.48Å; A693-A697 WeakPolarHBondContact O-CB 3.45Å; A693-A697 PolarHBondContact O-N 3.39Å |
| 694 | N | 86.6 | Confident | 88 | Confident | 49 Ų | 49 | 31 Ų | 31 | 26% | 0.262 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.6 | -37.2 | 179.2 | -73.7 | -14.1 | 0 | 0 | 0 | 112.4 | E690 T691 I692 A697 A698 E913 L917 P996 | E690-N694 PolarHBondContact O-N 2.95Å; T691-N694 PolarHBondContact O-N 3.33Å; I692-N694 PolarHBondContact O-N 3.47Å; N694-A697 PolarHBondContact O-N 2.84Å; N694-A698 PolarHBondContact O-N 3.24Å; N694-A698 VanDerWaalsContact O-N 3.12Å; N694-E913 HydrophobicContact CB-CG 4.28Å; N694-E913 VanDerWaalsContact ND2-CD 3.33Å; N694-E913 PolarHBondContact ND2-OE1 3.5Å; N694-L917 HydrophobicContact CB-CD1 4.37Å; N694-P996 HydrophobicContact CB-CG 4.1Å; N694-P996 VanDerWaalsContact O-CB 3.23Å; N694-P996 WeakPolarHBondContact O-CB 3.3Å |
| 695 | L | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 174.3 | -69.3 | 178 | 0 | 0 | 0 | 111.8 | T691 I692 A697 A698 E699 V700 I702 L912 L916 | T691-L695 HydrophobicContact CG2-CD1 3.92Å; T691-L695 HydrophobicContact CG2-CG 4.31Å; T691-L695 WeakPolarHBondContact O-CB 3.45Å; T691-L695 VanDerWaalsContact O-CG 3.26Å; T691-L695 WeakPolarHBondContact O-CG 3.48Å; T691-L695 PolarHBondContact O-N 2.97Å; I692-L695 PolarHBondContact O-N 3.02Å; L695-A697 VanDerWaalsContact C-N 3.29Å; L695-A697 PolarHBondContact O-N 3.03Å; L695-A698 CarbonylContact O-C 3.56Å; L695-A698 WeakPolarHBondContact O-CA 3.44Å; L695-A698 WeakPolarHBondContact O-CB 3.5Å; L695-A698 PolarHBondContact O-N 3.33Å; L695-E699 PolarHBondContact O-N 3.39Å; L695-V700 HydrophobicContact CB-CB 4.26Å; L695-V700 WeakPolarHBondContact O-CB 3.3Å; L695-V700 PolarHBondContact O-N 3.34Å; L695-I702 HydrophobicContact CB-CD1 4.11Å; L695-I702 HydrophobicContact CD1-CD1 4.3Å; L695-L912 HydrophobicContact CD1-CD2 4.12Å; L695-L912 HydrophobicContact CD1-CG 4.44Å; L695-L916 HydrophobicContact CD2-CB 4.44Å; L695-L916 HydrophobicContact CD2-CD1 3.91Å |
| 696 | M | 87.3 | Confident | 88.1 | Confident | 62 Ų | 62 | 29.1 Ų | 29.1 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.3 | -35.5 | 173.4 | -71.2 | -172.9 | -57.9 | 0 | 0 | 111.9 | I692 A693 A698 E699 I702 L735 | I692-M696 HydrophobicContact CG2-CE 3.63Å; I692-M696 HydrophobicContact CG2-SD 4.2Å; I692-M696 WeakPolarHBondContact O-CB 3.3Å; I692-M696 WeakPolarHBondContact O-CG 3.44Å; I692-M696 PolarHBondContact O-N 3.11Å; A693-M696 PolarHBondContact O-N 3.48Å; M696-A698 PolarHBondContact O-N 3.1Å; M696-E699 WeakPolarHBondContact O-CA 3.35Å; M696-E699 PolarHBondContact O-N 2.78Å; M696-I702 HydrophobicContact CG-CD1 4.43Å; M696-L735 HydrophobicContact SD-CD1 4.36Å |
| 697 | A | 84.7 | Confident | 87.4 | Confident | 46 Ų | 46 | 25.9 Ų | 25.9 | 38% | 0.38 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.6 | -20.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A693 N694 L695 E699 P996 | A693-A697 WeakPolarHBondContact O-CB 3.45Å; A693-A697 PolarHBondContact O-N 3.39Å; N694-A697 PolarHBondContact O-N 2.84Å; L695-A697 VanDerWaalsContact C-N 3.29Å; L695-A697 PolarHBondContact O-N 3.03Å; A697-E699 VanDerWaalsContact C-N 3.29Å; A697-P996 HydrophobicContact CB-CB 4.25Å; A697-P996 HydrophobicContact CB-CG 4.28Å |
| 698 | A | 87.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 14.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113 | N694 L695 M696 V700 L917 P996 Y999 Q1003 | N694-A698 PolarHBondContact O-N 3.24Å; N694-A698 VanDerWaalsContact O-N 3.12Å; L695-A698 CarbonylContact O-C 3.56Å; L695-A698 WeakPolarHBondContact O-CA 3.44Å; L695-A698 WeakPolarHBondContact O-CB 3.5Å; L695-A698 PolarHBondContact O-N 3.33Å; M696-A698 PolarHBondContact O-N 3.1Å; A698-V700 HydrophobicContact CB-CG2 4.29Å; A698-V700 PolarHBondContact O-N 2.76Å; A698-L917 HydrophobicContact CB-CD2 3.82Å; A698-P996 HydrophobicContact CB-CB 3.88Å; A698-P996 WeakPolarHBondContact CB-O 3.45Å; A698-Y999 HydrophobicContact CB-CD1 4.34Å; A698-Y999 HydrophobicContact CB-CG 4.46Å; A698-Q1003 PolarHBondContact O-NE2 2.77Å; A698-Q1003 PolarHBondContact O-OE1 3.35Å |
| 699 | E | 88.2 | Confident | 84.5 | Confident | 90 Ų | 90 | 29.6 Ų | 29.6 | 42% | 0.421 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 25.4 | -178.1 | -60 | -176 | -180 | 0 | 0 | 114 | L695 M696 A697 R808 I1000 | L695-E699 PolarHBondContact O-N 3.39Å; M696-E699 WeakPolarHBondContact O-CA 3.35Å; M696-E699 PolarHBondContact O-N 2.78Å; A697-E699 VanDerWaalsContact C-N 3.29Å; E699-R808 IonicContact OE1-NH1 2.8Å; E699-I1000 HydrophobicContact CB-CG1 4.49Å; E699-I1000 HydrophobicContact CG-CD1 4.03Å; E699-I1000 HydrophobicContact CG-CG1 4.4Å |
| 700 | V | 90 | Very high | 82.4 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | trans | -83.4 | 120.6 | 171 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | I405 V408 L695 A698 Y999 | I405-V700 HydrophobicContact CG2-CG1 4.47Å; V408-V700 HydrophobicContact CB-CG1 4.23Å; V408-V700 HydrophobicContact CG2-CG1 3.48Å; V408-V700 VanDerWaalsContact CG2-CG1 3.48Å; L695-V700 HydrophobicContact CB-CB 4.26Å; L695-V700 WeakPolarHBondContact O-CB 3.3Å; L695-V700 PolarHBondContact O-N 3.34Å; A698-V700 HydrophobicContact CB-CG2 4.29Å; A698-V700 PolarHBondContact O-N 2.76Å; V700-Y999 HydrophobicContact CG2-CD1 4.42Å; V700-Y999 HydrophobicContact CG2-CE1 4.2Å | ||
| 701 | K | 90.7 | Very high | 80.1 | Confident | 66 Ų | 66 | 32.5 Ų | 32.5 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.8 | 176.2 | -65.1 | -179.3 | -177.2 | 178.9 | 0 | 110 | Q406 Y407 V408 T838 | Q406-K701 PolarHBondContact O-N 3.43Å; Y407-K701 WeakPolarHBondContact CA-O 3.47Å; Y407-K701 HydrophobicContact CD1-CB 3.94Å; Y407-K701 HydrophobicContact CD1-CD 4.31Å; Y407-K701 HydrophobicContact CE1-CB 4.08Å; Y407-K701 HydrophobicContact CE1-CD 3.59Å; Y407-K701 HydrophobicContact CE1-CG 4.42Å; V408-K701 PolarHBondContact N-O 2.8Å; K701-T838 PolarHBondContact NZ-O 3.06Å |
| 702 | I | 91.7 | Very high | 77.5 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.2 | -177.8 | -55.6 | -177.2 | 0 | 0 | 0 | 109.6 | V408 I692 L695 M696 L735 | V408-I702 HydrophobicContact CB-CG1 4.42Å; V408-I702 WeakPolarHBondContact O-CA 3.45Å; I692-I702 HydrophobicContact CB-CD1 4.14Å; I692-I702 HydrophobicContact CG1-CD1 3.89Å; I692-I702 HydrophobicContact CG2-CD1 4.01Å; L695-I702 HydrophobicContact CB-CD1 4.11Å; L695-I702 HydrophobicContact CD1-CD1 4.3Å; M696-I702 HydrophobicContact CG-CD1 4.43Å; I702-L735 HydrophobicContact CB-CD1 3.95Å; I702-L735 HydrophobicContact CG2-CD1 4.24Å |
| 703 | W | 94.3 | Very high | 74.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.5 | 178.2 | -69.5 | 25.7 | 0 | 0 | 0 | 108.4 | Y407 V408 F409 S410 A837 T838 V843 V856 V860 | Y407-W703 HydrophobicContact CD1-CZ2 4.38Å; Y407-W703 AromaticContact CD1-NE1 3.97Å; Y407-W703 HydrophobicContact CE1-CZ2 4.09Å; V408-W703 PolarHBondContact O-N 3.01Å; F409-W703 CarbonylContact C-O 3.5Å; F409-W703 WeakPolarHBondContact CA-O 3.16Å; F409-W703 HydrophobicContact CD1-CB 3.78Å; F409-W703 HydrophobicContact CD1-CD2 4.46Å; F409-W703 HydrophobicContact CD1-CE3 4.23Å; F409-W703 HydrophobicContact CD1-CG 4.35Å; F409-W703 HydrophobicContact CE1-CB 4.08Å; F409-W703 AromaticContact CE1-CD2 3.87Å; F409-W703 HydrophobicContact CE1-CD2 3.87Å; F409-W703 AromaticContact CE1-CE3 3.52Å; F409-W703 HydrophobicContact CE1-CE3 3.52Å; F409-W703 HydrophobicContact CE1-CG 4.16Å; F409-W703 HydrophobicContact CE1-CZ3 4.18Å; F409-W703 HydrophobicContact CZ-CE3 4.47Å; S410-W703 PolarHBondContact N-O 2.8Å; W703-A837 HydrophobicContact CH2-CB 3.4Å; W703-A837 HydrophobicContact CZ2-CB 3.72Å; W703-A837 HydrophobicContact CZ3-CB 4.14Å; W703-T838 HydrophobicContact CZ2-CG2 4.41Å; W703-V843 CarbonylContact C-O 3.5Å; W703-V843 VanDerWaalsContact CA-O 3.27Å; W703-V843 WeakPolarHBondContact CA-O 3.43Å; W703-V843 HydrophobicContact CB-CB 4.34Å; W703-V843 HydrophobicContact CD2-CB 3.72Å; W703-V843 HydrophobicContact CD2-CG1 4.21Å; W703-V843 HydrophobicContact CD2-CG2 3.88Å; W703-V843 HydrophobicContact CE3-CB 4.18Å; W703-V843 HydrophobicContact CE3-CG1 4.15Å; W703-V843 HydrophobicContact CE3-CG2 4.47Å; W703-V843 HydrophobicContact CG-CB 3.75Å; W703-V843 HydrophobicContact CG-CG2 4.17Å; W703-V843 HydrophobicContact CZ2-CG2 3.95Å; W703-V856 HydrophobicContact CE3-CG1 3.93Å; W703-V856 HydrophobicContact CZ3-CG1 3.88Å; W703-V860 HydrophobicContact CH2-CG2 3.69Å; W703-V860 HydrophobicContact CZ2-CG2 4.47Å; W703-V860 HydrophobicContact CZ3-CG2 3.74Å |
| 704 | V | 92.2 | Very high | 72.3 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.7 | -179.4 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | S410 K412 L416 L735 V843 I844 C845 | S410-V704 CarbonylContact O-C 3.55Å; S410-V704 WeakPolarHBondContact O-CA 3.26Å; K412-V704 HydrophobicContact CB-CG1 4.14Å; L416-V704 HydrophobicContact CD1-CG1 4.28Å; L416-V704 HydrophobicContact CD1-CG2 4.02Å; V704-L735 HydrophobicContact CG2-CD2 3.62Å; V704-V843 PolarHBondContact N-O 3.16Å; V704-I844 HydrophobicContact CB-CG2 4.42Å; V704-I844 CarbonylContact O-C 3.58Å; V704-I844 WeakPolarHBondContact O-CA 3.43Å; V704-C845 PolarHBondContact O-N 2.99Å |
| 705 | L | 90.5 | Very high | 69.8 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 89.3 | -178.4 | -53.4 | -175.3 | 0 | 0 | 0 | 109.3 | F409 S410 D411 C845 K853 V856 V857 M880 | F409-L705 HydrophobicContact CB-CD1 4.21Å; F409-L705 HydrophobicContact CD1-CD1 3.91Å; F409-L705 HydrophobicContact CD1-CG 4.37Å; F409-L705 HydrophobicContact CG-CD1 4.42Å; S410-L705 PolarHBondContact O-N 3.38Å; D411-L705 VanDerWaalsContact OD1-O 3.07Å; L705-C845 HydrophobicContact CD2-CB 3.56Å; L705-C845 WeakPolarHBondContact CD2-SG 3.43Å; L705-K853 HydrophobicContact CB-CD 4.2Å; L705-K853 HydrophobicContact CB-CG 4.09Å; L705-K853 HydrophobicContact CD1-CB 4.24Å; L705-K853 WeakPolarHBondContact O-CE 3.27Å; L705-K853 PolarHBondContact O-NZ 2.9Å; L705-K853 VanDerWaalsContact O-NZ 3.07Å; L705-V856 HydrophobicContact CD1-CB 4.26Å; L705-V856 HydrophobicContact CD1-CG1 4.22Å; L705-V856 HydrophobicContact CD2-CG1 4.13Å; L705-V857 HydrophobicContact CD1-CG2 4.41Å; L705-M880 HydrophobicContact CB-SD 4.4Å; L705-M880 HydrophobicContact CD1-SD 3.82Å |
| 706 | T | 83.5 | Confident | 67.2 | Low | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | trans | -98.3 | 137.2 | -174.2 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | D708 C845 C846 R847 V848 | T706-D708 PolarHBondContact OG1-N 3.2Å; T706-C845 WeakPolarHBondContact CG2-O 3.4Å; T706-C845 PolarHBondContact N-O 3.48Å; T706-C846 CarbonylContact O-C 3.55Å; T706-R847 WeakPolarHBondContact O-CA 3.41Å; T706-R847 PolarHBondContact O-N 2.94Å; T706-V848 PolarHBondContact O-N 3.14Å | ||
| 707 | G | 69.5 | Low | 64.9 | Low | 30 Ų | 30 | 64.7 Ų | 64.7 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | trans | -92.4 | 4.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | K709 V848 | G707-K709 PolarHBondContact O-N 3.45Å; G707-V848 WeakPolarHBondContact CA-O 3.38Å | ||
| 708 | D | 61.1 | Low | 63 | Low | 57 Ų | 57 | 72.9 Ų | 72.9 | 31% | 0.305 | 38% | 0.375 | S | S | . | . | trans | -54.7 | 105.1 | -162.1 | -141.7 | -7.6 | 0 | 0 | 0 | 113.2 | K412 T706 | K412-D708 IonicContact NZ-OD2 3.93Å; K412-D708 PolarHBondContact NZ-OD2 3.01Å; T706-D708 PolarHBondContact OG1-N 3.2Å | ||
| 709 | K | 51.5 | Low | 61.1 | Low | 47 Ų | 47 | 75 Ų | 75 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | trans | 34.4 | 115.1 | 176.5 | -53.3 | -164.7 | -177.4 | -174.7 | 0 | 119.5 | N184 G707 R847 H1200 | N184-K709 PolarHBondContact ND2-NZ 2.74Å; N184-K709 VanDerWaalsContact ND2-NZ 3.15Å; G707-K709 PolarHBondContact O-N 3.45Å; K709-R847 PolarHBondContact O-NE 2.85Å; K709-R847 PolarHBondContact O-NH2 3.22Å; K709-H1200 WeakPolarHBondContact CD-CE1 3.46Å | ||
| 710 | Q | 40 | Very low | 59.2 | Low | 121 Ų | 121 | 77.9 Ų | 77.9 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | trans | -78 | 121 | 154.6 | -72.1 | -173.6 | -20.9 | 0 | 0 | 109.2 | E712 | Q710-E712 PolarHBondContact O-N 3.37Š| ||
| 711 | G | 37.9 | Very low | 57.1 | Low | 50 Ų | 50 | 78.5 Ų | 78.5 | 52% | 0.515 | 40% | 0.402 | S | S | . | . | trans | -78.2 | 105.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | N713 | G711-N713 PolarHBondContact O-N 3.42Š| ||
| 712 | E | 35.2 | Very low | 55.5 | Low | 134 Ų | 134 | 78.6 Ų | 78.6 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -59.2 | 131.8 | 171.5 | -71.9 | -178 | 153.5 | 0 | 0 | 108.9 | Q710 | Q710-E712 PolarHBondContact O-N 3.37Š|
| 713 | N | 30.5 | Very low | 54.2 | Low | 150 Ų | 150 | 79 Ų | 79 | 80% | 0.802 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 78.5 | 78.4 | 175.9 | -47.2 | -38.2 | 0 | 0 | 0 | 117.2 | G711 | G711-N713 PolarHBondContact O-N 3.42Š|
| 714 | F | 34 | Very low | 52.8 | Low | 148 Ų | 148 | 80.4 Ų | 80.4 | 65% | 0.649 | 41% | 0.411 | S | S | * | . | trans | -167.9 | 146.1 | 131.3 | -135.8 | -105.9 | 0 | 0 | 0 | 114.4 | F572 | F572-F714 AromaticContact CE1-CD1 3.99Å; F572-F714 HydrophobicContact CE1-CD1 3.99Å; F572-F714 HydrophobicContact CE2-CB 3.94Å; F572-F714 AromaticContact CE2-CD1 3.95Å; F572-F714 HydrophobicContact CE2-CD1 3.95Å; F572-F714 HydrophobicContact CE2-CD2 4.48Å; F572-F714 AromaticContact CE2-CG 3.87Å; F572-F714 HydrophobicContact CE2-CG 3.87Å; F572-F714 HydrophobicContact CZ-CB 3.56Å; F572-F714 AromaticContact CZ-CD1 3.26Å; F572-F714 HydrophobicContact CZ-CD1 3.26Å; F572-F714 HydrophobicContact CZ-CE1 4.04Å; F572-F714 AromaticContact CZ-CG 3.53Å; F572-F714 HydrophobicContact CZ-CG 3.53Å | ||
| 715 | V | 34.6 | Very low | 51.4 | Low | 121 Ų | 121 | 81.4 Ų | 81.4 | 73% | 0.733 | 42% | 0.417 | S | S | * | . | trans | -62.1 | 142.8 | -177.5 | 173.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 716 | A | 35.5 | Very low | 50.3 | Low | 74 Ų | 74 | 81.8 Ų | 81.8 | 61% | 0.612 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -22.6 | 121.1 | 170 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 717 | K | 40 | Very low | 49.9 | Very low | 203 Ų | 203 | 81.4 Ų | 81.4 | 88% | 0.883 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -165 | -15 | 145.8 | -110.6 | 159 | -173.3 | 179.8 | 0 | 119.9 | ||
| 718 | R | 44.9 | Very low | 49.9 | Very low | 219 Ų | 219 | 80.2 Ų | 80.2 | 83% | 0.826 | 41% | 0.405 | S | S | * | . | trans | -152.1 | 111.5 | 172.9 | -67.4 | -165.6 | -169.1 | -150.8 | 4.2 | 115.4 | ||||
| 719 | P | 47.6 | Very low | 50.4 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 29% | 0.286 | 39% | 0.394 | S | S | . | . | trans | -80.4 | -17.3 | -177.5 | 27.6 | -32.9 | 0 | 0 | 0 | 116.8 | A721 D747 | P719-A721 PolarHBondContact O-N 2.86Å; P719-D747 HydrophobicContact CB-CB 3.86Å; P719-D747 HydrophobicContact CG-CB 4.08Å; P719-D747 WeakPolarHBondContact CG-OD2 3.18Å | ||
| 720 | Y | 48 | Very low | 51.6 | Low | 151 Ų | 151 | 76.2 Ų | 76.2 | 59% | 0.592 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.1 | -33.1 | -164.6 | -64.4 | -75.9 | 0 | 0 | 0 | 117.1 | F722 V723 | Y720-F722 PolarHBondContact O-N 3.29Å; Y720-V723 PolarHBondContact O-N 2.89Å |
| 721 | A | 46.4 | Very low | 53.4 | Low | 16 Ų | 16 | 73.3 Ų | 73.3 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -27.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K574 P719 | K574-A721 VanDerWaalsContact NZ-CB 3.31Å; P719-A721 PolarHBondContact O-N 2.86Å |
| 722 | F | 56.8 | Low | 55 | Low | 68 Ų | 68 | 72.6 Ų | 72.6 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -89.2 | -30.9 | -170.5 | -45.5 | -60.3 | 0 | 0 | 0 | 111.8 | Y720 E724 R847 | Y720-F722 PolarHBondContact O-N 3.29Å; F722-E724 PolarHBondContact O-N 3.27Å; F722-R847 VanDerWaalsContact CE1-CZ 3.49Å; F722-R847 VanDerWaalsContact CZ-NH1 3.29Å |
| 723 | V | 64.1 | Low | 56.9 | Low | 9 Ų | 9 | 66.3 Ų | 66.3 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.5 | -29.6 | 175 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | Y720 I727 I745 V815 | Y720-V723 PolarHBondContact O-N 2.89Å; V723-I727 HydrophobicContact CG1-CD1 3.51Å; V723-I727 HydrophobicContact CG1-CG1 4.41Å; V723-I727 WeakPolarHBondContact O-CB 3.44Å; V723-I727 WeakPolarHBondContact O-CD1 3.42Å; V723-I727 VanDerWaalsContact O-CG1 3.28Å; V723-I727 WeakPolarHBondContact O-CG1 3.44Å; V723-I727 PolarHBondContact O-N 3.25Å; V723-I727 VanDerWaalsContact O-N 3.09Å; V723-I745 HydrophobicContact CG1-CD1 4.04Å; V723-I745 HydrophobicContact CG1-CG1 4.36Å; V723-I745 HydrophobicContact CG1-CG2 4.15Å; V723-I745 HydrophobicContact CG2-CG2 4.5Å; V723-V815 HydrophobicContact CG1-CG1 3.99Å |
| 724 | E | 64.4 | Low | 59 | Low | 30 Ų | 30 | 65.7 Ų | 65.7 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -53 | 175.9 | -70.3 | 165 | 178.9 | 0 | 0 | 112.8 | F722 A726 I727 N728 | F722-E724 PolarHBondContact O-N 3.27Å; E724-A726 VanDerWaalsContact C-N 3.3Å; E724-A726 PolarHBondContact O-N 3.43Å; E724-I727 PolarHBondContact O-N 3Å; E724-N728 PolarHBondContact O-N 3.29Å; E724-N728 PolarHBondContact O-ND2 3.27Å; E724-N728 PolarHBondContact O-OD1 3.21Å |
| 725 | T | 63.9 | Low | 61.1 | Low | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 179.5 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | I727 N728 I729 A1196 | T725-I727 PolarHBondContact O-N 3.45Å; T725-N728 PolarHBondContact O-N 2.78Å; T725-I729 HydrophobicContact CG2-CD1 4.05Å; T725-I729 WeakPolarHBondContact O-CD1 3.39Å; T725-I729 WeakPolarHBondContact O-CG1 3.38Å; T725-I729 PolarHBondContact O-N 2.84Å; T725-I729 VanDerWaalsContact O-N 3.15Å; T725-A1196 HydrophobicContact CG2-CB 4.35Å |
| 726 | A | 68.2 | Low | 63.1 | Low | 8 Ų | 8 | 53.3 Ų | 53.3 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E724 I729 G730 I844 C846 | E724-A726 VanDerWaalsContact C-N 3.3Å; E724-A726 PolarHBondContact O-N 3.43Å; A726-I729 PolarHBondContact O-N 3.13Å; A726-G730 PolarHBondContact O-N 3.45Å; A726-I844 HydrophobicContact CB-CG2 3.92Å; A726-C846 WeakPolarHBondContact CB-SG 3.34Å |
| 727 | I | 73.4 | Confident | 64.8 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.3 | -38.2 | 177.1 | -70.1 | 167.6 | 0 | 0 | 0 | 111.3 | V723 E724 T725 I729 G730 Y731 L736 I743 I745 V815 | V723-I727 HydrophobicContact CG1-CD1 3.51Å; V723-I727 HydrophobicContact CG1-CG1 4.41Å; V723-I727 WeakPolarHBondContact O-CB 3.44Å; V723-I727 WeakPolarHBondContact O-CD1 3.42Å; V723-I727 VanDerWaalsContact O-CG1 3.28Å; V723-I727 WeakPolarHBondContact O-CG1 3.44Å; V723-I727 PolarHBondContact O-N 3.25Å; V723-I727 VanDerWaalsContact O-N 3.09Å; E724-I727 PolarHBondContact O-N 3Å; T725-I727 PolarHBondContact O-N 3.45Å; I727-I729 VanDerWaalsContact C-N 3.26Å; I727-I729 PolarHBondContact O-N 3.37Å; I727-G730 CarbonylContact O-C 3.49Å; I727-G730 WeakPolarHBondContact O-CA 3.41Å; I727-G730 PolarHBondContact O-N 3.09Å; I727-Y731 HydrophobicContact CG2-CD2 3.59Å; I727-Y731 HydrophobicContact CG2-CE2 3.39Å; I727-Y731 VanDerWaalsContact O-CD2 3.28Å; I727-Y731 WeakPolarHBondContact O-CD2 3.49Å; I727-Y731 PolarHBondContact O-N 3.4Å; I727-L736 HydrophobicContact CB-CD1 4.14Å; I727-L736 HydrophobicContact CG1-CD1 4.14Å; I727-L736 HydrophobicContact CG2-CD1 3.68Å; I727-I743 HydrophobicContact CD1-CG2 4.17Å; I727-I743 HydrophobicContact CG2-CD1 4.29Å; I727-I745 HydrophobicContact CD1-CD1 4.41Å; I727-V815 HydrophobicContact CD1-CG2 4.09Å; I727-V815 HydrophobicContact CG1-CG2 3.93Å |
| 728 | N | 70.4 | Confident | 65.9 | Low | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.5 | -44.5 | 174.3 | -66.7 | -16.7 | 0 | 0 | 0 | 111.1 | E724 T725 Y731 S732 S1194 | E724-N728 PolarHBondContact O-N 3.29Å; E724-N728 PolarHBondContact O-ND2 3.27Å; E724-N728 PolarHBondContact O-OD1 3.21Å; T725-N728 PolarHBondContact O-N 2.78Å; N728-Y731 PolarHBondContact O-N 3.07Å; N728-S732 PolarHBondContact O-N 2.91Å; N728-S732 PolarHBondContact O-OG 3.45Å; N728-S1194 PolarHBondContact ND2-OG 3.45Å; N728-S1194 PolarHBondContact OD1-OG 3.05Å |
| 729 | I | 71.6 | Confident | 66.9 | Low | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 176.1 | -62.2 | 147.2 | 0 | 0 | 0 | 111.3 | K412 T725 A726 I727 Y731 S732 C733 | K412-I729 HydrophobicContact CD-CD1 3.47Å; K412-I729 VanDerWaalsContact CD-CD1 3.47Å; K412-I729 HydrophobicContact CG-CD1 3.99Å; K412-I729 HydrophobicContact CG-CG2 4.13Å; T725-I729 HydrophobicContact CG2-CD1 4.05Å; T725-I729 WeakPolarHBondContact O-CD1 3.39Å; T725-I729 WeakPolarHBondContact O-CG1 3.38Å; T725-I729 PolarHBondContact O-N 2.84Å; T725-I729 VanDerWaalsContact O-N 3.15Å; A726-I729 PolarHBondContact O-N 3.13Å; I727-I729 VanDerWaalsContact C-N 3.26Å; I727-I729 PolarHBondContact O-N 3.37Å; I729-Y731 PolarHBondContact O-N 3.33Å; I729-S732 PolarHBondContact O-N 2.91Å; I729-C733 VanDerWaalsContact O-CB 3.3Å; I729-C733 WeakPolarHBondContact O-CB 3.39Å; I729-C733 PolarHBondContact O-N 3.01Å; I729-C733 PolarHBondContact O-SG 3.11Å; I729-C733 VanDerWaalsContact O-SG 3.38Å |
| 730 | G | 77.1 | Confident | 68.1 | Low | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.8 | -43.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A726 I727 R734 L735 L736 | A726-G730 PolarHBondContact O-N 3.45Å; I727-G730 CarbonylContact O-C 3.49Å; I727-G730 WeakPolarHBondContact O-CA 3.41Å; I727-G730 PolarHBondContact O-N 3.09Å; G730-R734 PolarHBondContact O-N 3.37Å; G730-L735 PolarHBondContact O-N 2.82Å; G730-L736 PolarHBondContact O-N 2.82Å |
| 731 | Y | 76.3 | Confident | 69.4 | Low | 61 Ų | 61 | 35.3 Ų | 35.3 | 24% | 0.239 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.7 | -45.1 | 174.3 | -78.6 | -67.1 | 0 | 0 | 0 | 112.8 | I727 N728 I729 C733 R734 L736 I743 | I727-Y731 HydrophobicContact CG2-CD2 3.59Å; I727-Y731 HydrophobicContact CG2-CE2 3.39Å; I727-Y731 VanDerWaalsContact O-CD2 3.28Å; I727-Y731 WeakPolarHBondContact O-CD2 3.49Å; I727-Y731 PolarHBondContact O-N 3.4Å; N728-Y731 PolarHBondContact O-N 3.07Å; I729-Y731 PolarHBondContact O-N 3.33Å; Y731-C733 VanDerWaalsContact C-N 3.29Å; Y731-C733 PolarHBondContact O-N 2.94Å; Y731-R734 PolarHBondContact O-N 3.11Å; Y731-L736 HydrophobicContact CD1-CB 3.97Å; Y731-L736 WeakPolarHBondContact CD1-O 3.36Å; Y731-L736 HydrophobicContact CD2-CB 4.44Å; Y731-L736 HydrophobicContact CD2-CD1 4.45Å; Y731-L736 HydrophobicContact CE1-CB 4.01Å; Y731-L736 HydrophobicContact CE2-CB 4.49Å; Y731-L736 HydrophobicContact CE2-CD1 4.44Å; Y731-L736 HydrophobicContact CG-CB 4.18Å; Y731-I743 HydrophobicContact CE2-CD1 4.26Å; Y731-I743 WeakPolarHBondContact OH-CD1 3.2Å |
| 732 | S | 72.2 | Confident | 71 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -42.8 | 177.4 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | G624 L684 N728 I729 R734 | G624-S732 PolarHBondContact O-OG 3.45Å; L684-S732 WeakPolarHBondContact CD1-O 3.49Å; N728-S732 PolarHBondContact O-N 2.91Å; N728-S732 PolarHBondContact O-OG 3.45Å; I729-S732 PolarHBondContact O-N 2.91Å; S732-R734 PolarHBondContact O-N 3.41Å |
| 733 | C | 74.7 | Confident | 72.2 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.6 | 177.6 | -69.2 | 0 | 0 | 0 | 0 | 113.7 | L684 I692 I729 Y731 L735 | L684-C733 VanDerWaalsContact CD2-SG 3.59Å; I692-C733 HydrophobicContact CD1-CB 3.79Å; I729-C733 VanDerWaalsContact O-CB 3.3Å; I729-C733 WeakPolarHBondContact O-CB 3.39Å; I729-C733 PolarHBondContact O-N 3.01Å; I729-C733 PolarHBondContact O-SG 3.11Å; I729-C733 VanDerWaalsContact O-SG 3.38Å; Y731-C733 VanDerWaalsContact C-N 3.29Å; Y731-C733 PolarHBondContact O-N 2.94Å; C733-L735 HydrophobicContact CB-CB 4.41Å; C733-L735 PolarHBondContact O-N 2.9Å |
| 734 | R | 75 | Confident | 73.3 | Confident | 137 Ų | 137 | 36.4 Ų | 36.4 | 52% | 0.517 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 23.6 | -168.8 | -56.9 | -178.3 | -175.1 | 156.5 | 5.9 | 114.1 | P689 G730 Y731 S732 L736 | P689-R734 HydrophobicContact CB-CG 4.21Å; G730-R734 PolarHBondContact O-N 3.37Å; Y731-R734 PolarHBondContact O-N 3.11Å; S732-R734 PolarHBondContact O-N 3.41Å; R734-L736 VanDerWaalsContact C-N 3.32Å |
| 735 | L | 78.5 | Confident | 74.3 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -70.5 | -38.5 | 168.3 | -175.9 | 70.5 | 0 | 0 | 0 | 109.7 | M696 I702 V704 G730 C733 A842 I844 | M696-L735 HydrophobicContact SD-CD1 4.36Å; I702-L735 HydrophobicContact CB-CD1 3.95Å; I702-L735 HydrophobicContact CG2-CD1 4.24Å; V704-L735 HydrophobicContact CG2-CD2 3.62Å; G730-L735 PolarHBondContact O-N 2.82Å; C733-L735 HydrophobicContact CB-CB 4.41Å; C733-L735 PolarHBondContact O-N 2.9Å; L735-A842 HydrophobicContact CD1-CB 3.67Å; L735-A842 HydrophobicContact CD2-CB 4.08Å; L735-A842 HydrophobicContact CG-CB 3.55Å; L735-I844 HydrophobicContact CD2-CD1 4.12Å; L735-I844 HydrophobicContact CD2-CG1 3.92Å |
| 736 | L | 77.2 | Confident | 75.3 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -99 | 113.9 | 168.4 | -56.6 | 178.1 | 0 | 0 | 0 | 108.2 | I727 G730 Y731 R734 L740 I743 A813 I844 | I727-L736 HydrophobicContact CB-CD1 4.14Å; I727-L736 HydrophobicContact CG1-CD1 4.14Å; I727-L736 HydrophobicContact CG2-CD1 3.68Å; G730-L736 PolarHBondContact O-N 2.82Å; Y731-L736 HydrophobicContact CD1-CB 3.97Å; Y731-L736 WeakPolarHBondContact CD1-O 3.36Å; Y731-L736 HydrophobicContact CD2-CB 4.44Å; Y731-L736 HydrophobicContact CD2-CD1 4.45Å; Y731-L736 HydrophobicContact CE1-CB 4.01Å; Y731-L736 HydrophobicContact CE2-CB 4.49Å; Y731-L736 HydrophobicContact CE2-CD1 4.44Å; Y731-L736 HydrophobicContact CG-CB 4.18Å; R734-L736 VanDerWaalsContact C-N 3.32Å; L736-L740 HydrophobicContact CB-CD1 4.2Å; L736-L740 HydrophobicContact CD2-CD1 3.69Å; L736-I743 HydrophobicContact CD1-CD1 4.12Å; L736-A813 HydrophobicContact CD2-CB 3.29Å; L736-I844 HydrophobicContact CD1-CD1 3.95Å; L736-I844 HydrophobicContact CD2-CD1 4.41Å; L736-I844 HydrophobicContact CG-CD1 4.18Å |
| 737 | T | 70 | Confident | 76 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | trans | -103.3 | 151.2 | 173.7 | 56.7 | 0 | 0 | 0 | 0 | 109.7 | S739 L740 | T737-S739 PolarHBondContact O-N 2.91Å; T737-S739 PolarHBondContact OG1-OG 3.27Å; T737-L740 WeakPolarHBondContact O-CB 3.38Å; T737-L740 WeakPolarHBondContact O-CG 3.05Å; T737-L740 PolarHBondContact O-N 3.43Å | ||
| 738 | P | 64.4 | Low | 76.4 | Confident | 125 Ų | 125 | 37.7 Ų | 37.7 | 81% | 0.812 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -9.3 | 170.2 | -21.3 | 32.3 | 0 | 0 | 0 | 114 | ||
| 739 | S | 65.4 | Low | 76.7 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.1 | 175.2 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | T737 | T737-S739 PolarHBondContact O-N 2.91Å; T737-S739 PolarHBondContact OG1-OG 3.27Å |
| 740 | L | 72.1 | Confident | 77.4 | Confident | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.12 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -64.8 | 141.6 | 170.1 | -68.3 | 171.9 | 0 | 0 | 0 | 109.2 | L736 T737 G811 A813 | L736-L740 HydrophobicContact CB-CD1 4.2Å; L736-L740 HydrophobicContact CD2-CD1 3.69Å; T737-L740 WeakPolarHBondContact O-CB 3.38Å; T737-L740 WeakPolarHBondContact O-CG 3.05Å; T737-L740 PolarHBondContact O-N 3.43Å; L740-G811 CarbonylContact C-O 3.58Å; L740-G811 VanDerWaalsContact CA-O 3.32Å; L740-G811 WeakPolarHBondContact CA-O 3.29Å; L740-G811 VanDerWaalsContact CD2-O 3.29Å; L740-G811 WeakPolarHBondContact CD2-O 3.34Å; L740-A813 HydrophobicContact CD1-CB 3.77Å |
| 741 | R | 74.8 | Confident | 77.9 | Confident | 81 Ų | 81 | 44.1 Ų | 44.1 | 31% | 0.306 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -66 | -47 | 178.7 | -71.6 | -170.8 | 178 | 157.7 | 11.2 | 110.8 | G768 E772 E810 G811 Y812 | R741-G768 PolarHBondContact NH1-O 3.39Å; R741-G768 VanDerWaalsContact NH1-O 3.08Å; R741-E772 IonicContact CZ-OE1 3.68Å; R741-E772 IonicContact CZ-OE2 3.47Å; R741-E772 IonicContact NH1-OE2 2.75Å; R741-E772 PolarHBondContact NH1-OE2 3.5Å; R741-E772 VanDerWaalsContact NH1-OE2 3.11Å; R741-E772 IonicContact NH2-OE1 3.74Å; R741-E772 PolarHBondContact NH2-OE1 3.41Å; R741-E772 IonicContact NH2-OE2 3.37Å; R741-E772 PolarHBondContact NH2-OE2 3.35Å; R741-E810 IonicContact CZ-OE2 3.45Å; R741-E810 IonicContact NE-OE2 3.64Å; R741-E810 PolarHBondContact NE-OE2 3.13Å; R741-E810 IonicContact NH2-OE2 3.77Å; R741-E810 PolarHBondContact NH2-OE2 3.48Å; R741-G811 PolarHBondContact N-O 3.28Å; R741-Y812 HydrophobicContact CB-CD1 4.33Å; R741-Y812 HydrophobicContact CB-CE1 3.96Å |
| 742 | D | 80.6 | Confident | 78.5 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 161.9 | 178.7 | -150.1 | -8.2 | 0 | 0 | 0 | 112.1 | Y812 A813 | D742-Y812 HydrophobicContact CB-CD1 4Å; D742-Y812 HydrophobicContact CB-CE1 4.12Å; D742-A813 PolarHBondContact O-N 3.32Å |
| 743 | I | 82.3 | Confident | 79.3 | Confident | 26 Ų | 26 | 49 Ų | 49 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 106.9 | 171.8 | -57.5 | 170.9 | 0 | 0 | 0 | 107.7 | I727 Y731 L736 I745 A813 V815 | I727-I743 HydrophobicContact CD1-CG2 4.17Å; I727-I743 HydrophobicContact CG2-CD1 4.29Å; Y731-I743 HydrophobicContact CE2-CD1 4.26Å; Y731-I743 WeakPolarHBondContact OH-CD1 3.2Å; L736-I743 HydrophobicContact CD1-CD1 4.12Å; I743-I745 HydrophobicContact CG2-CG1 4.35Å; I743-A813 CarbonylContact C-O 3.53Å; I743-V815 HydrophobicContact CG2-CG2 3.66Å |
| 744 | L | 86.2 | Confident | 79.9 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.1 | 179.1 | -54.3 | 177.5 | 0 | 0 | 0 | 109.3 | C761 I765 Y812 A813 L814 V815 | L744-C761 HydrophobicContact CD1-CB 4.03Å; L744-I765 HydrophobicContact CD1-CD1 3.71Å; L744-I765 HydrophobicContact CD1-CG1 3.83Å; L744-Y812 HydrophobicContact CD1-CD1 4.33Å; L744-Y812 HydrophobicContact CD1-CG 4.34Å; L744-Y812 HydrophobicContact CD2-CD1 4.3Å; L744-Y812 HydrophobicContact CG-CD1 4.33Å; L744-A813 PolarHBondContact N-O 3.37Å; L744-L814 HydrophobicContact CB-CD1 4.03Å; L744-L814 CarbonylContact O-C 3.56Å; L744-L814 WeakPolarHBondContact O-CA 3.46Å; L744-V815 PolarHBondContact O-N 3.11Å |
| 745 | I | 85.7 | Confident | 80.7 | Confident | 64 Ų | 64 | 47 Ų | 47 | 33% | 0.328 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.1 | -177.5 | -59.1 | 172 | 0 | 0 | 0 | 109.5 | V723 I727 I743 D747 V815 | V723-I745 HydrophobicContact CG1-CD1 4.04Å; V723-I745 HydrophobicContact CG1-CG1 4.36Å; V723-I745 HydrophobicContact CG1-CG2 4.15Å; V723-I745 HydrophobicContact CG2-CG2 4.5Å; I727-I745 HydrophobicContact CD1-CD1 4.41Å; I743-I745 HydrophobicContact CG2-CG1 4.35Å; I745-D747 HydrophobicContact CG2-CB 4.34Å; I745-V815 WeakPolarHBondContact CA-O 3.48Å |
| 746 | V | 86.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 106.3 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 109 | V754 Q757 L758 L814 V815 I816 S817 S820 | V746-V754 HydrophobicContact CG1-CG1 4.09Å; V746-Q757 HydrophobicContact CG1-CB 4.27Å; V746-Q757 HydrophobicContact CG2-CB 4.43Å; V746-L758 HydrophobicContact CG1-CG 4.48Å; V746-L758 HydrophobicContact CG2-CD2 4.01Å; V746-L814 HydrophobicContact CG2-CD1 3.83Å; V746-V815 PolarHBondContact N-O 3.02Å; V746-I816 HydrophobicContact CB-CB 4.33Å; V746-I816 HydrophobicContact CB-CD1 4.35Å; V746-I816 HydrophobicContact CB-CG1 4.04Å; V746-I816 HydrophobicContact CG1-CD1 4.1Å; V746-I816 HydrophobicContact CG1-CG1 4.12Å; V746-I816 WeakPolarHBondContact O-CA 3.41Å; V746-S817 PolarHBondContact O-N 2.94Å; V746-S820 PolarHBondContact O-OG 3.1Å |
| 747 | D | 83 | Confident | 81.9 | Confident | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | trans | -132.1 | 12.9 | -172.4 | 69.5 | -12.9 | 0 | 0 | 0 | 114 | P719 I745 Q757 S820 | P719-D747 HydrophobicContact CB-CB 3.86Å; P719-D747 HydrophobicContact CG-CB 4.08Å; P719-D747 WeakPolarHBondContact CG-OD2 3.18Å; I745-D747 HydrophobicContact CG2-CB 4.34Å; D747-Q757 PolarHBondContact OD1-NE2 2.95Å; D747-S820 VanDerWaalsContact CA-OG 3.29Å; D747-S820 WeakPolarHBondContact CA-OG 2.97Å | ||
| 748 | G | 81.1 | Confident | 82.9 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | trans | -56.5 | 139.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V754 S820 | G748-V754 WeakPolarHBondContact O-CG2 3.41Å; G748-S820 PolarHBondContact N-OG 3.29Å; G748-S820 WeakPolarHBondContact O-CB 3.46Å; G748-S820 PolarHBondContact O-OG 3.07Å | ||
| 749 | S | 77.6 | Confident | 84.2 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 51% | 0.51 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -92.9 | -18.3 | 179.2 | 49.6 | 0 | 0 | 0 | 0 | 114 | H823 | S749-H823 PolarHBondContact O-NE2 2.89Š|
| 750 | T | 85.6 | Confident | 85.3 | Confident | 58 Ų | 58 | 50 Ų | 50 | 36% | 0.356 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -114.9 | 163.3 | 178 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | E752 D753 V754 | T750-E752 PolarHBondContact O-N 2.82Å; T750-D753 PolarHBondContact N-OD2 2.94Å; T750-D753 PolarHBondContact O-N 2.99Å; T750-D753 PolarHBondContact OG1-N 2.78Å; T750-D753 PolarHBondContact OG1-OD2 2.97Å; T750-V754 VanDerWaalsContact O-CG2 3.3Å; T750-V754 WeakPolarHBondContact O-CG2 3.34Å; T750-V754 PolarHBondContact O-N 3.46Å; T750-V754 VanDerWaalsContact O-N 3.15Å |
| 751 | C | 87.6 | Confident | 86 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | -179.6 | -165.2 | 0 | 0 | 0 | 0 | 111.8 | V754 K755 H823 | C751-V754 PolarHBondContact O-N 2.7Å; C751-K755 WeakPolarHBondContact O-CB 3.23Å; C751-K755 PolarHBondContact O-N 2.82Å; C751-H823 HydrophobicContact CB-CB 4.49Å |
| 752 | E | 89 | Confident | 86.7 | Confident | 130 Ų | 130 | 46.7 Ų | 46.7 | 61% | 0.607 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -63.6 | -43.4 | 178.1 | -76.4 | 64.6 | -148.7 | 0 | 0 | 112.4 | T750 V754 K755 I756 | T750-E752 PolarHBondContact O-N 2.82Å; E752-V754 VanDerWaalsContact C-N 3.33Å; E752-V754 PolarHBondContact O-N 3.19Å; E752-K755 WeakPolarHBondContact O-CB 3.35Å; E752-K755 PolarHBondContact O-N 3.26Å; E752-I756 WeakPolarHBondContact O-CG1 3.36Å; E752-I756 PolarHBondContact O-N 3.25Å |
| 753 | D | 88.7 | Confident | 87 | Confident | 67 Ų | 67 | 48.3 Ų | 48.3 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 177.3 | -62.5 | -33.2 | 0 | 0 | 0 | 110.9 | T750 K755 I756 Q757 | T750-D753 PolarHBondContact N-OD2 2.94Å; T750-D753 PolarHBondContact O-N 2.99Å; T750-D753 PolarHBondContact OG1-N 2.78Å; T750-D753 PolarHBondContact OG1-OD2 2.97Å; D753-K755 VanDerWaalsContact C-N 3.32Å; D753-K755 PolarHBondContact O-N 2.82Å; D753-I756 PolarHBondContact O-N 3.08Å; D753-Q757 WeakPolarHBondContact O-CB 3.47Å; D753-Q757 VanDerWaalsContact O-CG 3.28Å; D753-Q757 WeakPolarHBondContact O-CG 3.47Å; D753-Q757 PolarHBondContact O-N 2.94Å |
| 754 | V | 88.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | V746 G748 T750 C751 E752 Q757 L758 H823 A824 L829 | V746-V754 HydrophobicContact CG1-CG1 4.09Å; G748-V754 WeakPolarHBondContact O-CG2 3.41Å; T750-V754 VanDerWaalsContact O-CG2 3.3Å; T750-V754 WeakPolarHBondContact O-CG2 3.34Å; T750-V754 PolarHBondContact O-N 3.46Å; T750-V754 VanDerWaalsContact O-N 3.15Å; C751-V754 PolarHBondContact O-N 2.7Å; E752-V754 VanDerWaalsContact C-N 3.33Å; E752-V754 PolarHBondContact O-N 3.19Å; V754-Q757 PolarHBondContact O-N 2.95Å; V754-L758 HydrophobicContact CG1-CD1 3.9Å; V754-L758 HydrophobicContact CG1-CG 4.35Å; V754-L758 WeakPolarHBondContact O-CB 3.37Å; V754-L758 VanDerWaalsContact O-CG 3.31Å; V754-L758 WeakPolarHBondContact O-CG 3.38Å; V754-L758 PolarHBondContact O-N 3.39Å; V754-H823 HydrophobicContact CB-CB 4.44Å; V754-H823 HydrophobicContact CG2-CB 4.32Å; V754-A824 HydrophobicContact CG1-CB 4.14Å; V754-L829 HydrophobicContact CG1-CD1 4.5Å |
| 755 | K | 91.3 | Very high | 87 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 175.7 | -177.8 | 179.6 | 173.1 | -176.9 | 0 | 111.5 | C751 E752 D753 Q757 L758 E759 L829 | C751-K755 WeakPolarHBondContact O-CB 3.23Å; C751-K755 PolarHBondContact O-N 2.82Å; E752-K755 WeakPolarHBondContact O-CB 3.35Å; E752-K755 PolarHBondContact O-N 3.26Å; D753-K755 VanDerWaalsContact C-N 3.32Å; D753-K755 PolarHBondContact O-N 2.82Å; K755-Q757 VanDerWaalsContact C-N 3.31Å; K755-Q757 PolarHBondContact O-N 2.8Å; K755-L758 PolarHBondContact O-N 2.93Å; K755-E759 WeakPolarHBondContact CE-OE1 3.45Å; K755-E759 HydrophobicContact CG-CG 4.45Å; K755-E759 IonicContact NZ-OE1 2.67Å; K755-E759 WeakPolarHBondContact O-CB 3.44Å; K755-E759 WeakPolarHBondContact O-CG 3.38Å; K755-E759 PolarHBondContact O-N 3.15Å; K755-L829 HydrophobicContact CB-CD1 4.33Å; K755-L829 HydrophobicContact CB-CD2 3.8Å; K755-L829 HydrophobicContact CD-CD2 4.13Å; K755-L829 HydrophobicContact CG-CD2 3.74Å |
| 756 | I | 91.6 | Very high | 86.9 | Confident | 109 Ų | 109 | 52.5 Ų | 52.5 | 56% | 0.559 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 179.9 | -66.8 | 165.6 | 0 | 0 | 0 | 110.5 | E752 D753 E759 S760 | E752-I756 WeakPolarHBondContact O-CG1 3.36Å; E752-I756 PolarHBondContact O-N 3.25Å; D753-I756 PolarHBondContact O-N 3.08Å; I756-E759 PolarHBondContact O-N 3.36Å; I756-S760 WeakPolarHBondContact O-CB 3.37Å; I756-S760 PolarHBondContact O-N 2.67Å |
| 757 | Q | 89.6 | Confident | 86.6 | Confident | 49 Ų | 49 | 58 Ų | 58 | 23% | 0.229 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 177.2 | -73.6 | -179.8 | -16.1 | 0 | 0 | 112 | V746 D747 D753 V754 K755 S760 C761 | V746-Q757 HydrophobicContact CG1-CB 4.27Å; V746-Q757 HydrophobicContact CG2-CB 4.43Å; D747-Q757 PolarHBondContact OD1-NE2 2.95Å; D753-Q757 WeakPolarHBondContact O-CB 3.47Å; D753-Q757 VanDerWaalsContact O-CG 3.28Å; D753-Q757 WeakPolarHBondContact O-CG 3.47Å; D753-Q757 PolarHBondContact O-N 2.94Å; V754-Q757 PolarHBondContact O-N 2.95Å; K755-Q757 VanDerWaalsContact C-N 3.31Å; K755-Q757 PolarHBondContact O-N 2.8Å; Q757-S760 PolarHBondContact O-N 2.79Å; Q757-C761 WeakPolarHBondContact O-CB 3.25Å; Q757-C761 PolarHBondContact O-N 3.29Å; Q757-C761 PolarHBondContact O-SG 2.71Å |
| 758 | L | 90 | Very high | 86 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 177.5 | -74.1 | 173 | 0 | 0 | 0 | 112.3 | V746 V754 K755 S760 C761 D762 A824 L832 F833 | V746-L758 HydrophobicContact CG1-CG 4.48Å; V746-L758 HydrophobicContact CG2-CD2 4.01Å; V754-L758 HydrophobicContact CG1-CD1 3.9Å; V754-L758 HydrophobicContact CG1-CG 4.35Å; V754-L758 WeakPolarHBondContact O-CB 3.37Å; V754-L758 VanDerWaalsContact O-CG 3.31Å; V754-L758 WeakPolarHBondContact O-CG 3.38Å; V754-L758 PolarHBondContact O-N 3.39Å; K755-L758 PolarHBondContact O-N 2.93Å; L758-S760 VanDerWaalsContact C-N 3.34Å; L758-C761 WeakPolarHBondContact O-CB 3.46Å; L758-C761 PolarHBondContact O-N 3Å; L758-D762 PolarHBondContact O-N 3.44Å; L758-A824 HydrophobicContact CD1-CB 4.31Å; L758-L832 HydrophobicContact CB-CD2 3.78Å; L758-L832 HydrophobicContact CB-CG 4.11Å; L758-F833 HydrophobicContact CD1-CB 4.15Å; L758-F833 HydrophobicContact CD2-CD2 4.23Å |
| 759 | E | 91 | Very high | 85.4 | Confident | 79 Ų | 79 | 61.6 Ų | 61.6 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.3 | -71.7 | 177 | 171.5 | 0 | 0 | 111.5 | K755 I756 C761 D762 Q763 L832 | K755-E759 WeakPolarHBondContact CE-OE1 3.45Å; K755-E759 HydrophobicContact CG-CG 4.45Å; K755-E759 IonicContact NZ-OE1 2.67Å; K755-E759 WeakPolarHBondContact O-CB 3.44Å; K755-E759 WeakPolarHBondContact O-CG 3.38Å; K755-E759 PolarHBondContact O-N 3.15Å; I756-E759 PolarHBondContact O-N 3.36Å; E759-C761 VanDerWaalsContact C-N 3.35Å; E759-D762 PolarHBondContact O-N 2.95Å; E759-Q763 WeakPolarHBondContact O-CG 3.26Å; E759-Q763 PolarHBondContact O-N 3.04Å; E759-L832 HydrophobicContact CG-CD2 3.82Å |
| 760 | S | 89.6 | Confident | 84.6 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 173.4 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | I756 Q757 L758 Q763 Q764 | I756-S760 WeakPolarHBondContact O-CB 3.37Å; I756-S760 PolarHBondContact O-N 2.67Å; Q757-S760 PolarHBondContact O-N 2.79Å; L758-S760 VanDerWaalsContact C-N 3.34Å; S760-Q763 PolarHBondContact O-N 3.16Å; S760-Q764 WeakPolarHBondContact O-CG 3.4Å; S760-Q764 PolarHBondContact O-N 3.02Å |
| 761 | C | 87.5 | Confident | 83.2 | Confident | 7 Ų | 7 | 68 Ų | 68 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 176.2 | -70.7 | 0 | 0 | 0 | 0 | 111.2 | L744 Q757 L758 E759 Q763 Q764 I765 V836 | L744-C761 HydrophobicContact CD1-CB 4.03Å; Q757-C761 WeakPolarHBondContact O-CB 3.25Å; Q757-C761 PolarHBondContact O-N 3.29Å; Q757-C761 PolarHBondContact O-SG 2.71Å; L758-C761 WeakPolarHBondContact O-CB 3.46Å; L758-C761 PolarHBondContact O-N 3Å; E759-C761 VanDerWaalsContact C-N 3.35Å; C761-Q763 VanDerWaalsContact C-N 3.35Å; C761-Q763 PolarHBondContact O-N 2.97Å; C761-Q764 PolarHBondContact O-N 3.27Å; C761-I765 VanDerWaalsContact O-CG1 3.29Å; C761-I765 WeakPolarHBondContact O-CG1 3.04Å; C761-I765 PolarHBondContact O-N 2.96Å; C761-V836 HydrophobicContact CB-CG1 3.78Å |
| 762 | D | 87.6 | Confident | 81.4 | Confident | 26 Ų | 26 | 71.9 Ų | 71.9 | 14% | 0.139 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 177 | 179.6 | 53.3 | 0 | 0 | 0 | 112 | L758 E759 Q764 I765 K766 V836 | L758-D762 PolarHBondContact O-N 3.44Å; E759-D762 PolarHBondContact O-N 2.95Å; D762-Q764 PolarHBondContact O-N 2.97Å; D762-I765 PolarHBondContact O-N 3.22Å; D762-K766 WeakPolarHBondContact O-CB 3.5Å; D762-K766 WeakPolarHBondContact O-CG 3.35Å; D762-K766 PolarHBondContact O-N 3.44Å; D762-K766 WeakPolarHBondContact OD1-CE 3.46Å; D762-K766 IonicContact OD1-NZ 2.83Å; D762-K766 PolarHBondContact OD1-NZ 2.67Å; D762-K766 VanDerWaalsContact OD2-CE 3.26Å; D762-K766 WeakPolarHBondContact OD2-CE 3.36Å; D762-K766 IonicContact OD2-NZ 2.73Å; D762-K766 PolarHBondContact OD2-NZ 3.13Å; D762-V836 HydrophobicContact CB-CG2 3.82Å |
| 763 | Q | 87.9 | Confident | 79.4 | Confident | 119 Ų | 119 | 69.5 Ų | 69.5 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 176.3 | -72.4 | 177.4 | 11.4 | 0 | 0 | 112.5 | E759 S760 C761 I765 K766 L767 | E759-Q763 WeakPolarHBondContact O-CG 3.26Å; E759-Q763 PolarHBondContact O-N 3.04Å; S760-Q763 PolarHBondContact O-N 3.16Å; C761-Q763 VanDerWaalsContact C-N 3.35Å; C761-Q763 PolarHBondContact O-N 2.97Å; Q763-I765 PolarHBondContact O-N 2.81Å; Q763-K766 PolarHBondContact O-N 3.19Å; Q763-L767 WeakPolarHBondContact O-CB 2.89Å; Q763-L767 WeakPolarHBondContact O-CD1 3.5Å; Q763-L767 VanDerWaalsContact O-CG 3.27Å; Q763-L767 WeakPolarHBondContact O-CG 3.32Å; Q763-L767 PolarHBondContact O-N 3.34Å |
| 764 | Q | 84.9 | Confident | 76.9 | Confident | 76 Ų | 76 | 69.9 Ų | 69.9 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.8 | -73.9 | 176.7 | 4.4 | 0 | 0 | 112 | S760 C761 D762 G768 Y812 | S760-Q764 WeakPolarHBondContact O-CG 3.4Å; S760-Q764 PolarHBondContact O-N 3.02Å; C761-Q764 PolarHBondContact O-N 3.27Å; D762-Q764 PolarHBondContact O-N 2.97Å; Q764-G768 PolarHBondContact O-N 2.98Å; Q764-Y812 PolarHBondContact O-OH 2.82Å |
| 765 | I | 83.3 | Confident | 74.5 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.2 | -66.3 | 168.5 | 0 | 0 | 0 | 110.3 | L744 C761 D762 Q763 G768 N769 Y812 V836 A839 | L744-I765 HydrophobicContact CD1-CD1 3.71Å; L744-I765 HydrophobicContact CD1-CG1 3.83Å; C761-I765 VanDerWaalsContact O-CG1 3.29Å; C761-I765 WeakPolarHBondContact O-CG1 3.04Å; C761-I765 PolarHBondContact O-N 2.96Å; D762-I765 PolarHBondContact O-N 3.22Å; Q763-I765 PolarHBondContact O-N 2.81Å; I765-G768 PolarHBondContact O-N 3.08Å; I765-N769 VanDerWaalsContact O-CG 3.29Å; I765-N769 PolarHBondContact O-N 2.92Å; I765-Y812 HydrophobicContact CB-CD2 4.36Å; I765-Y812 HydrophobicContact CB-CE2 4.28Å; I765-Y812 HydrophobicContact CG1-CD2 3.78Å; I765-Y812 HydrophobicContact CG1-CE2 4.09Å; I765-Y812 HydrophobicContact CG1-CG 4.05Å; I765-Y812 HydrophobicContact CG2-CD2 4.35Å; I765-Y812 HydrophobicContact CG2-CE2 4.37Å; I765-V836 HydrophobicContact CD1-CG1 4.07Å; I765-A839 HydrophobicContact CD1-CB 4.09Å; I765-A839 HydrophobicContact CG2-CB 3.94Å |
| 766 | K | 83.1 | Confident | 72.2 | Confident | 101 Ų | 101 | 76.8 Ų | 76.8 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 178.7 | -74.9 | 171.8 | 178.1 | 166.7 | 0 | 111.7 | D762 Q763 G768 N769 Y770 | D762-K766 WeakPolarHBondContact O-CB 3.5Å; D762-K766 WeakPolarHBondContact O-CG 3.35Å; D762-K766 PolarHBondContact O-N 3.44Å; D762-K766 WeakPolarHBondContact OD1-CE 3.46Å; D762-K766 IonicContact OD1-NZ 2.83Å; D762-K766 PolarHBondContact OD1-NZ 2.67Å; D762-K766 VanDerWaalsContact OD2-CE 3.26Å; D762-K766 WeakPolarHBondContact OD2-CE 3.36Å; D762-K766 IonicContact OD2-NZ 2.73Å; D762-K766 PolarHBondContact OD2-NZ 3.13Å; Q763-K766 PolarHBondContact O-N 3.19Å; K766-G768 VanDerWaalsContact C-N 3.31Å; K766-G768 PolarHBondContact O-N 3.42Å; K766-N769 PolarHBondContact O-N 3.21Å; K766-N769 VanDerWaalsContact O-N 3.16Å; K766-Y770 WeakPolarHBondContact O-CD2 3.5Å; K766-Y770 PolarHBondContact O-N 3.46Å |
| 767 | L | 79.6 | Confident | 70 | Confident | 117 Ų | 117 | 79 Ų | 79 | 61% | 0.613 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.7 | -40.4 | 178.4 | -74.3 | 164.8 | 0 | 0 | 0 | 112.4 | Q763 N769 Y770 S771 | Q763-L767 WeakPolarHBondContact O-CB 2.89Å; Q763-L767 WeakPolarHBondContact O-CD1 3.5Å; Q763-L767 VanDerWaalsContact O-CG 3.27Å; Q763-L767 WeakPolarHBondContact O-CG 3.32Å; Q763-L767 PolarHBondContact O-N 3.34Å; L767-N769 VanDerWaalsContact C-N 3.34Å; L767-Y770 PolarHBondContact O-N 2.63Å; L767-S771 PolarHBondContact O-N 3.45Å; L767-S771 PolarHBondContact O-OG 3.38Å |
| 768 | G | 70.9 | Confident | 67.8 | Low | 15 Ų | 15 | 83.8 Ų | 83.8 | 16% | 0.155 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R741 Q764 I765 K766 Y812 | R741-G768 PolarHBondContact NH1-O 3.39Å; R741-G768 VanDerWaalsContact NH1-O 3.08Å; Q764-G768 PolarHBondContact O-N 2.98Å; I765-G768 PolarHBondContact O-N 3.08Å; K766-G768 VanDerWaalsContact C-N 3.31Å; K766-G768 PolarHBondContact O-N 3.42Å; G768-Y812 WeakPolarHBondContact CA-OH 3.49Å |
| 769 | N | 69.1 | Low | 65 | Low | 89 Ų | 89 | 95.3 Ų | 95.3 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -75.6 | -34.6 | 177.4 | -68.1 | -11.6 | 0 | 0 | 0 | 112.3 | I765 K766 L767 S771 E772 | I765-N769 VanDerWaalsContact O-CG 3.29Å; I765-N769 PolarHBondContact O-N 2.92Å; K766-N769 PolarHBondContact O-N 3.21Å; K766-N769 VanDerWaalsContact O-N 3.16Å; L767-N769 VanDerWaalsContact C-N 3.34Å; N769-S771 PolarHBondContact O-N 2.93Å; N769-E772 PolarHBondContact O-N 2.67Å |
| 770 | Y | 61.2 | Low | 62.4 | Low | 171 Ų | 171 | 97.4 Ų | 97.4 | 67% | 0.671 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67 | -33.7 | 177.6 | -84.6 | -71.1 | 0 | 0 | 0 | 113.2 | K766 L767 E772 A773 A774 | K766-Y770 WeakPolarHBondContact O-CD2 3.5Å; K766-Y770 PolarHBondContact O-N 3.46Å; L767-Y770 PolarHBondContact O-N 2.63Å; Y770-E772 PolarHBondContact O-N 3.27Å; Y770-E772 VanDerWaalsContact O-N 3.15Å; Y770-A773 PolarHBondContact O-N 2.72Å; Y770-A773 VanDerWaalsContact O-N 3.14Å; Y770-A774 PolarHBondContact O-N 2.75Å |
| 771 | S | 55.1 | Low | 59.9 | Low | 96 Ų | 96 | 100.2 Ų | 100.2 | 67% | 0.671 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.2 | -17.8 | 178.8 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | L767 N769 | L767-S771 PolarHBondContact O-N 3.45Å; L767-S771 PolarHBondContact O-OG 3.38Å; N769-S771 PolarHBondContact O-N 2.93Å |
| 772 | E | 49.6 | Very low | 57.3 | Low | 110 Ų | 110 | 105.7 Ų | 105.7 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -92.6 | -19.1 | 175.9 | -73.4 | -179.6 | 127.2 | 0 | 0 | 114.2 | R741 N769 Y770 | R741-E772 IonicContact CZ-OE1 3.68Å; R741-E772 IonicContact CZ-OE2 3.47Å; R741-E772 IonicContact NH1-OE2 2.75Å; R741-E772 PolarHBondContact NH1-OE2 3.5Å; R741-E772 VanDerWaalsContact NH1-OE2 3.11Å; R741-E772 IonicContact NH2-OE1 3.74Å; R741-E772 PolarHBondContact NH2-OE1 3.41Å; R741-E772 IonicContact NH2-OE2 3.37Å; R741-E772 PolarHBondContact NH2-OE2 3.35Å; N769-E772 PolarHBondContact O-N 2.67Å; Y770-E772 PolarHBondContact O-N 3.27Å; Y770-E772 VanDerWaalsContact O-N 3.15Å |
| 773 | A | 47.9 | Very low | 54.6 | Low | 80 Ų | 80 | 111.9 Ų | 111.9 | 66% | 0.661 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -81.5 | -23.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y770 T775 | Y770-A773 PolarHBondContact O-N 2.72Å; Y770-A773 VanDerWaalsContact O-N 3.14Å; A773-T775 PolarHBondContact O-N 2.88Å; A773-T775 VanDerWaalsContact O-N 3.13Å |
| 774 | A | 35.2 | Very low | 52.1 | Low | 75 Ų | 75 | 113.5 Ų | 113.5 | 62% | 0.62 | 63% | 0.627 | S | S | * | * | trans | -85.4 | 79.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y770 | Y770-A774 PolarHBondContact O-N 2.75Š| ||
| 775 | T | 39.2 | Very low | 49.7 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | trans | -71.2 | 139.7 | 155.2 | 50.7 | 0 | 0 | 0 | 0 | 108.6 | A773 D777 | A773-T775 PolarHBondContact O-N 2.88Å; A773-T775 VanDerWaalsContact O-N 3.13Å; T775-D777 PolarHBondContact O-N 2.93Å | ||
| 776 | P | 42.4 | Very low | 47.3 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 13.8 | -166 | -17.6 | 32.2 | 0 | 0 | 0 | 117.1 | ||
| 777 | D | 45.5 | Very low | 44.8 | Very low | 154 Ų | 154 | 123.1 Ų | 123.1 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 0.3 | -167.7 | -104.2 | -14 | 0 | 0 | 0 | 116.7 | T775 | T775-D777 PolarHBondContact O-N 2.93Š|
| 778 | D | 42.3 | Very low | 42.6 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -115.2 | 113.4 | 176.5 | -83 | -35.8 | 0 | 0 | 0 | 112.6 | ||
| 779 | R | 32.1 | Very low | 40.5 | Very low | 241 Ų | 241 | 134.6 Ų | 134.6 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | trans | -57.5 | 133.9 | 175.7 | -70.4 | 178 | 176.1 | -179.2 | -1.3 | 110.7 | S781 | R779-S781 PolarHBondContact O-N 3.05Š| ||
| 780 | P | 36.4 | Very low | 38.7 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -81.7 | 107.7 | 179.6 | 32.2 | -30.3 | 0 | 0 | 0 | 109.9 | V782 | P780-V782 PolarHBondContact O-N 3.23Š| ||
| 781 | S | 36.7 | Very low | 37 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -80.6 | 107.6 | 158.4 | 55.7 | 0 | 0 | 0 | 0 | 108.8 | R779 N783 | R779-S781 PolarHBondContact O-N 3.05Å; S781-N783 PolarHBondContact O-N 3.04Å | ||
| 782 | V | 33.6 | Very low | 35.7 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | -54 | 118.1 | 171.8 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | P780 | P780-V782 PolarHBondContact O-N 3.23Š| ||
| 783 | N | 30.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -130.6 | 126.7 | 158.8 | -90.1 | -25.8 | 0 | 0 | 0 | 109.7 | S781 | S781-N783 PolarHBondContact O-N 3.04Š| ||
| 784 | I | 35.7 | Very low | 33.7 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -69.5 | 137.2 | -168.5 | -70.7 | 159.1 | 0 | 0 | 0 | 110.7 | ||||
| 785 | V | 34 | Very low | 33.2 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -65.2 | 124.4 | 175.4 | 174 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 786 | S | 33 | Very low | 32.7 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -136.5 | 124.6 | 157.5 | 57.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 787 | N | 30.2 | Very low | 32 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -44.6 | 135.8 | 175.8 | -68.1 | -32.3 | 0 | 0 | 0 | 113.7 | ||||
| 788 | H | 34.9 | Very low | 31.2 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | 167.3 | 135.1 | 135.2 | -92.6 | -69.6 | 0 | 0 | 0 | 110 | ||||
| 789 | M | 26.3 | Very low | 30.6 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | trans | -44.2 | 151 | 163.2 | -97 | -170 | -165.5 | 0 | 0 | 111.3 | ||||
| 790 | P | 30.1 | Very low | 30.5 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | -158.8 | 174.9 | 70.5 | 38.3 | -15.2 | 0 | 0 | 0 | 118.1 | |||||
| 791 | V | 25.8 | Very low | 30.3 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -14.7 | 129.1 | 147.4 | 179.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 792 | S | 27.6 | Very low | 30 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 161.8 | 145.7 | 128.1 | 48.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 793 | S | 29.1 | Very low | 29.7 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 65.8 | 108.1 | 143.3 | -57.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 794 | E | 26.7 | Very low | 29.7 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | 69.5 | 129.7 | 91.2 | -74.9 | -166.4 | 164.6 | 0 | 0 | 115.3 | |||||
| 795 | R | 25.1 | Very low | 29.6 | Very low | 228 Ų | 228 | 132.1 Ų | 132.1 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | 93.6 | 88.2 | 164.7 | -52.9 | -179.1 | -159.8 | -171.9 | 5.2 | 117.2 | ||||
| 796 | L | 28.9 | Very low | 29.6 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 93% | 0.932 | 73% | 0.73 | S | S | * | * | trans | -153.8 | 115.9 | 136.9 | -128.8 | 79.4 | 0 | 0 | 0 | 104.9 | ||||
| 797 | G | 28.4 | Very low | 29.8 | Very low | 55 Ų | 55 | 129.4 Ų | 129.4 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | cis | 99.4 | 71 | 45.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | D799 | G797-D799 VanDerWaalsContact C-N 3.32Å; G797-D799 PolarHBondContact O-N 3.22Å | ||
| 798 | S | 26.8 | Very low | 30.7 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 34.4 | 1.5 | 145.6 | 49.1 | 0 | 0 | 0 | 0 | 125.6 | ||
| 799 | D | 29.9 | Very low | 31.4 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | trans | -117 | 4.5 | -171.5 | -71.3 | -26.3 | 0 | 0 | 0 | 117 | G797 S801 | G797-D799 VanDerWaalsContact C-N 3.32Å; G797-D799 PolarHBondContact O-N 3.22Å; D799-S801 VanDerWaalsContact C-N 3.34Å; D799-S801 PolarHBondContact O-N 3.28Å | ||
| 800 | A | 31.4 | Very low | 33.1 | Very low | 79 Ų | 79 | 120.1 Ų | 120.1 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -82 | 0.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116 | Q802 | A800-Q802 PolarHBondContact O-N 3.44Š|
| 801 | S | 31.9 | Very low | 35.2 | Very low | 106 Ų | 106 | 115 Ų | 115 | 74% | 0.741 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -86.6 | 4.3 | -166.9 | 60.2 | 0 | 0 | 0 | 0 | 116.2 | D799 | D799-S801 VanDerWaalsContact C-N 3.34Å; D799-S801 PolarHBondContact O-N 3.28Å |
| 802 | Q | 29.2 | Very low | 38.1 | Very low | 185 Ų | 185 | 109.8 Ų | 109.8 | 86% | 0.864 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -113.4 | 4.1 | 177.5 | -77.9 | -172.8 | -4.6 | 0 | 0 | 115.8 | A800 S804 | A800-Q802 PolarHBondContact O-N 3.44Å; Q802-S804 PolarHBondContact O-N 2.94Å |
| 803 | R | 28.8 | Very low | 40.9 | Very low | 188 Ų | 188 | 104.9 Ų | 104.9 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | trans | -63.8 | 115.8 | 175.2 | -78.6 | -175.7 | -178.8 | 168.6 | -0.4 | 110.8 | ||||
| 804 | S | 30.7 | Very low | 43.8 | Very low | 56 Ų | 56 | 100.1 Ų | 100.1 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | trans | -54 | 141.5 | -169.4 | 72 | 0 | 0 | 0 | 0 | 112 | Q802 S806 E807 | Q802-S804 PolarHBondContact O-N 2.94Å; S804-S806 PolarHBondContact O-N 3.48Å; S804-E807 PolarHBondContact O-N 2.76Å | ||
| 805 | S | 32.6 | Very low | 46.8 | Very low | 82 Ų | 82 | 93 Ų | 93 | 57% | 0.573 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -11.2 | 177.6 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 806 | S | 33.9 | Very low | 49.8 | Very low | 71 Ų | 71 | 82.2 Ų | 82.2 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -32.9 | -178.2 | -154.1 | 0 | 0 | 0 | 0 | 113.2 | S804 R808 L809 | S804-S806 PolarHBondContact O-N 3.48Å; S806-R808 VanDerWaalsContact C-N 3.28Å; S806-R808 PolarHBondContact O-N 3.33Å; S806-L809 PolarHBondContact O-N 2.9Å |
| 807 | E | 37.6 | Very low | 52.4 | Low | 116 Ų | 116 | 74.6 Ų | 74.6 | 54% | 0.542 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -70.6 | -27.8 | 179.1 | -74.6 | 169.3 | -177.2 | 0 | 0 | 111.9 | S804 L809 E810 | S804-E807 PolarHBondContact O-N 2.76Å; E807-L809 PolarHBondContact O-N 3.07Å; E807-L809 VanDerWaalsContact O-N 3.1Å; E807-E810 PolarHBondContact O-N 3.47Å |
| 808 | R | 48.6 | Very low | 54.9 | Low | 133 Ų | 133 | 72.2 Ų | 72.2 | 50% | 0.502 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -70.1 | -5.6 | 178.9 | -60.2 | -170.8 | -163.4 | -169.9 | 4 | 114 | E699 S806 K841 | E699-R808 IonicContact OE1-NH1 2.8Å; S806-R808 VanDerWaalsContact C-N 3.28Å; S806-R808 PolarHBondContact O-N 3.33Å; R808-K841 PolarHBondContact O-NZ 3.37Å |
| 809 | L | 49.1 | Very low | 57.5 | Low | 94 Ų | 94 | 73.3 Ų | 73.3 | 49% | 0.492 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -91.3 | -16.6 | 179.1 | -82.7 | 146.2 | 0 | 0 | 0 | 113.7 | S806 E807 K841 | S806-L809 PolarHBondContact O-N 2.9Å; E807-L809 PolarHBondContact O-N 3.07Å; E807-L809 VanDerWaalsContact O-N 3.1Å; L809-K841 PolarHBondContact O-NZ 2.88Å; L809-K841 VanDerWaalsContact O-NZ 3.09Å |
| 810 | E | 62.4 | Low | 60.2 | Low | 92 Ų | 92 | 66.4 Ų | 66.4 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | trans | -83.5 | 130.5 | 178.5 | -60.4 | -168.9 | 178.4 | 0 | 0 | 112.1 | R741 E807 K841 | R741-E810 IonicContact CZ-OE2 3.45Å; R741-E810 IonicContact NE-OE2 3.64Å; R741-E810 PolarHBondContact NE-OE2 3.13Å; R741-E810 IonicContact NH2-OE2 3.77Å; R741-E810 PolarHBondContact NH2-OE2 3.48Å; E807-E810 PolarHBondContact O-N 3.47Å; E810-K841 WeakPolarHBondContact O-CE 3.35Å; E810-K841 PolarHBondContact O-NZ 3.12Å | ||
| 811 | G | 75.3 | Confident | 62.9 | Low | 10 Ų | 10 | 62.7 Ų | 62.7 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | trans | -177.8 | -176.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L740 R741 | L740-G811 CarbonylContact C-O 3.58Å; L740-G811 VanDerWaalsContact CA-O 3.32Å; L740-G811 WeakPolarHBondContact CA-O 3.29Å; L740-G811 VanDerWaalsContact CD2-O 3.29Å; L740-G811 WeakPolarHBondContact CD2-O 3.34Å; R741-G811 PolarHBondContact N-O 3.28Å | ||
| 812 | Y | 86.1 | Confident | 65.6 | Low | 23 Ų | 23 | 61.8 Ų | 61.8 | 9% | 0.09 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 153.8 | 179.1 | -60.5 | -84.1 | 0 | 0 | 0 | 111.4 | R741 D742 L744 Q764 I765 G768 C840 K841 | R741-Y812 HydrophobicContact CB-CD1 4.33Å; R741-Y812 HydrophobicContact CB-CE1 3.96Å; D742-Y812 HydrophobicContact CB-CD1 4Å; D742-Y812 HydrophobicContact CB-CE1 4.12Å; L744-Y812 HydrophobicContact CD1-CD1 4.33Å; L744-Y812 HydrophobicContact CD1-CG 4.34Å; L744-Y812 HydrophobicContact CD2-CD1 4.3Å; L744-Y812 HydrophobicContact CG-CD1 4.33Å; Q764-Y812 PolarHBondContact O-OH 2.82Å; I765-Y812 HydrophobicContact CB-CD2 4.36Å; I765-Y812 HydrophobicContact CB-CE2 4.28Å; I765-Y812 HydrophobicContact CG1-CD2 3.78Å; I765-Y812 HydrophobicContact CG1-CE2 4.09Å; I765-Y812 HydrophobicContact CG1-CG 4.05Å; I765-Y812 HydrophobicContact CG2-CD2 4.35Å; I765-Y812 HydrophobicContact CG2-CE2 4.37Å; G768-Y812 WeakPolarHBondContact CA-OH 3.49Å; Y812-C840 WeakPolarHBondContact O-CA 3.27Å; Y812-K841 PolarHBondContact O-N 2.89Å |
| 813 | A | 87 | Confident | 68.5 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L736 L740 D742 I743 L744 A842 | L736-A813 HydrophobicContact CD2-CB 3.29Å; L740-A813 HydrophobicContact CD1-CB 3.77Å; D742-A813 PolarHBondContact O-N 3.32Å; I743-A813 CarbonylContact C-O 3.53Å; L744-A813 PolarHBondContact N-O 3.37Å; A813-A842 CarbonylContact C-O 3.56Å; A813-A842 VanDerWaalsContact CA-O 3.27Å; A813-A842 WeakPolarHBondContact CA-O 3.41Å; A813-A842 HydrophobicContact CB-CB 4.15Å |
| 814 | L | 90.1 | Very high | 71.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.9 | 178.3 | -179.2 | 66.8 | 0 | 0 | 0 | 110.3 | L744 V746 F833 V836 A837 C840 A842 V843 I844 | L744-L814 HydrophobicContact CB-CD1 4.03Å; L744-L814 CarbonylContact O-C 3.56Å; L744-L814 WeakPolarHBondContact O-CA 3.46Å; V746-L814 HydrophobicContact CG2-CD1 3.83Å; L814-F833 HydrophobicContact CD2-CD2 4.4Å; L814-F833 HydrophobicContact CD2-CE2 3.91Å; L814-V836 HydrophobicContact CD1-CG1 4.29Å; L814-V836 HydrophobicContact CD2-CG1 4.28Å; L814-A837 HydrophobicContact CD2-CB 3.87Å; L814-C840 HydrophobicContact CB-CB 4.23Å; L814-A842 PolarHBondContact N-O 2.81Å; L814-V843 HydrophobicContact CB-CG1 4.32Å; L814-V843 HydrophobicContact CB-CG2 4.25Å; L814-V843 HydrophobicContact CD2-CG1 4.23Å; L814-V843 HydrophobicContact CG-CG1 4.49Å; L814-V843 CarbonylContact O-C 3.57Å; L814-V843 WeakPolarHBondContact O-CA 3.42Å; L814-I844 PolarHBondContact O-N 3.5Å |
| 815 | V | 88.4 | Confident | 74.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 115.5 | 172.1 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | V723 I727 I743 L744 I745 V746 I844 | V723-V815 HydrophobicContact CG1-CG1 3.99Å; I727-V815 HydrophobicContact CD1-CG2 4.09Å; I727-V815 HydrophobicContact CG1-CG2 3.93Å; I743-V815 HydrophobicContact CG2-CG2 3.66Å; L744-V815 PolarHBondContact O-N 3.11Å; I745-V815 WeakPolarHBondContact CA-O 3.48Å; V746-V815 PolarHBondContact N-O 3.02Å; V815-I844 VanDerWaalsContact CA-O 3.32Å; V815-I844 WeakPolarHBondContact CA-O 3.44Å; V815-I844 HydrophobicContact CG2-CB 4.32Å |
| 816 | I | 88.9 | Confident | 77 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.5 | -178.1 | -172.3 | 165.3 | 0 | 0 | 0 | 111.1 | V746 L821 A824 F833 I844 C845 C846 | V746-I816 HydrophobicContact CB-CB 4.33Å; V746-I816 HydrophobicContact CB-CD1 4.35Å; V746-I816 HydrophobicContact CB-CG1 4.04Å; V746-I816 HydrophobicContact CG1-CD1 4.1Å; V746-I816 HydrophobicContact CG1-CG1 4.12Å; V746-I816 WeakPolarHBondContact O-CA 3.41Å; I816-L821 HydrophobicContact CD1-CB 4.36Å; I816-L821 HydrophobicContact CD1-CD1 4.05Å; I816-L821 HydrophobicContact CG1-CB 4.4Å; I816-L821 HydrophobicContact CG2-CD1 4.32Å; I816-A824 HydrophobicContact CD1-CB 3.88Å; I816-F833 HydrophobicContact CD1-CD2 3.95Å; I816-F833 HydrophobicContact CD1-CE2 3.7Å; I816-F833 HydrophobicContact CG2-CE2 4.18Å; I816-F833 HydrophobicContact CG2-CZ 4.49Å; I816-I844 PolarHBondContact N-O 2.88Å; I816-C845 HydrophobicContact CG2-CB 4Å; I816-C845 WeakPolarHBondContact CG2-SG 3.41Å; I816-C845 WeakPolarHBondContact O-CA 3.45Å; I816-C846 PolarHBondContact O-N 3.45Å |
| 817 | S | 84.3 | Confident | 79.6 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 150.2 | 176 | 93.3 | 0 | 0 | 0 | 0 | 111.8 | V746 Q819 S820 L821 C846 | V746-S817 PolarHBondContact O-N 2.94Å; S817-Q819 PolarHBondContact O-N 3.28Å; S817-S820 PolarHBondContact O-N 3.4Å; S817-S820 WeakPolarHBondContact OG-CB 3.45Å; S817-S820 PolarHBondContact OG-N 3.26Å; S817-S820 VanDerWaalsContact OG-N 3.15Å; S817-S820 PolarHBondContact OG-OG 3.43Å; S817-L821 WeakPolarHBondContact O-CB 3.06Å; S817-L821 PolarHBondContact O-N 2.73Å; S817-C846 CarbonylContact C-O 3.51Å |
| 818 | G | 79.7 | Confident | 82 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -23.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | I822 C846 Q852 | G818-I822 WeakPolarHBondContact O-CG1 3.48Å; G818-I822 PolarHBondContact O-N 2.86Å; G818-C846 WeakPolarHBondContact CA-O 3.47Å; G818-C846 PolarHBondContact N-O 3.26Å; G818-Q852 PolarHBondContact O-NE2 3.34Å; G818-Q852 VanDerWaalsContact O-NE2 3.13Å |
| 819 | Q | 81.4 | Confident | 84.1 | Confident | 135 Ų | 135 | 39.1 Ų | 39.1 | 63% | 0.631 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -74 | -48.1 | 171.9 | -71.7 | 177.8 | -25.8 | 0 | 0 | 110.6 | S817 L821 I822 | S817-Q819 PolarHBondContact O-N 3.28Å; Q819-L821 PolarHBondContact O-N 3.34Å; Q819-I822 WeakPolarHBondContact O-CB 3.16Å; Q819-I822 PolarHBondContact O-N 3.36Å; Q819-I822 VanDerWaalsContact O-N 3.16Å |
| 820 | S | 87.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -36 | 175.4 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | V746 D747 G748 S817 I822 H823 A824 | V746-S820 PolarHBondContact O-OG 3.1Å; D747-S820 VanDerWaalsContact CA-OG 3.29Å; D747-S820 WeakPolarHBondContact CA-OG 2.97Å; G748-S820 PolarHBondContact N-OG 3.29Å; G748-S820 WeakPolarHBondContact O-CB 3.46Å; G748-S820 PolarHBondContact O-OG 3.07Å; S817-S820 PolarHBondContact O-N 3.4Å; S817-S820 WeakPolarHBondContact OG-CB 3.45Å; S817-S820 PolarHBondContact OG-N 3.26Å; S817-S820 VanDerWaalsContact OG-N 3.15Å; S817-S820 PolarHBondContact OG-OG 3.43Å; S820-I822 VanDerWaalsContact C-N 3.27Å; S820-I822 PolarHBondContact O-N 2.96Å; S820-H823 PolarHBondContact O-N 2.99Å; S820-H823 VanDerWaalsContact O-N 3.14Å; S820-A824 PolarHBondContact O-N 3.12Å |
| 821 | L | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -29.4 | 178 | -170.6 | 66 | 0 | 0 | 0 | 112.7 | I816 S817 Q819 H823 A824 L825 F833 C845 V848 Q852 V856 | I816-L821 HydrophobicContact CD1-CB 4.36Å; I816-L821 HydrophobicContact CD1-CD1 4.05Å; I816-L821 HydrophobicContact CG1-CB 4.4Å; I816-L821 HydrophobicContact CG2-CD1 4.32Å; S817-L821 WeakPolarHBondContact O-CB 3.06Å; S817-L821 PolarHBondContact O-N 2.73Å; Q819-L821 PolarHBondContact O-N 3.34Å; L821-H823 VanDerWaalsContact C-N 3.28Å; L821-H823 PolarHBondContact O-N 3.18Å; L821-A824 PolarHBondContact O-N 2.69Å; L821-L825 HydrophobicContact CD1-CD1 4.18Å; L821-L825 HydrophobicContact CD1-CD2 4.46Å; L821-L825 HydrophobicContact CD1-CG 3.98Å; L821-L825 HydrophobicContact CD2-CD1 4.31Å; L821-L825 HydrophobicContact CG-CD1 3.78Å; L821-L825 HydrophobicContact CG-CG 4.05Å; L821-L825 VanDerWaalsContact O-CB 3.31Å; L821-L825 WeakPolarHBondContact O-CB 3.32Å; L821-L825 VanDerWaalsContact O-CG 3.24Å; L821-L825 WeakPolarHBondContact O-CG 3.37Å; L821-L825 PolarHBondContact O-N 3.1Å; L821-F833 HydrophobicContact CD1-CE1 4.06Å; L821-F833 HydrophobicContact CD1-CE2 4.3Å; L821-F833 HydrophobicContact CD1-CZ 3.81Å; L821-C845 HydrophobicContact CD2-CB 4.35Å; L821-V848 HydrophobicContact CD2-CG1 3.98Å; L821-V848 HydrophobicContact CD2-CG2 3.98Å; L821-Q852 HydrophobicContact CD2-CB 4.34Å; L821-V856 HydrophobicContact CD1-CG2 4.05Å; L821-V856 HydrophobicContact CD2-CG2 3.85Å; L821-V856 HydrophobicContact CG-CG2 4.39Å |
| 822 | I | 87.4 | Confident | 88.3 | Confident | 87 Ų | 87 | 38.4 Ų | 38.4 | 45% | 0.446 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 173.8 | -65 | 166.8 | 0 | 0 | 0 | 110.1 | G818 Q819 S820 Q826 | G818-I822 WeakPolarHBondContact O-CG1 3.48Å; G818-I822 PolarHBondContact O-N 2.86Å; Q819-I822 WeakPolarHBondContact O-CB 3.16Å; Q819-I822 PolarHBondContact O-N 3.36Å; Q819-I822 VanDerWaalsContact O-N 3.16Å; S820-I822 VanDerWaalsContact C-N 3.27Å; S820-I822 PolarHBondContact O-N 2.96Å; I822-Q826 WeakPolarHBondContact O-CG 3.45Å |
| 823 | H | 90.2 | Very high | 88.7 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 20% | 0.199 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75 | -41.8 | 179.3 | -60.5 | -65.4 | 0 | 0 | 0 | 111.4 | S749 C751 V754 S820 L821 L825 Q826 | S749-H823 PolarHBondContact O-NE2 2.89Å; C751-H823 HydrophobicContact CB-CB 4.49Å; V754-H823 HydrophobicContact CB-CB 4.44Å; V754-H823 HydrophobicContact CG2-CB 4.32Å; S820-H823 PolarHBondContact O-N 2.99Å; S820-H823 VanDerWaalsContact O-N 3.14Å; L821-H823 VanDerWaalsContact C-N 3.28Å; L821-H823 PolarHBondContact O-N 3.18Å; H823-L825 VanDerWaalsContact C-N 3.25Å; H823-L825 PolarHBondContact O-N 3.02Å; H823-Q826 WeakPolarHBondContact O-CB 3.5Å; H823-Q826 PolarHBondContact O-N 3.02Å |
| 824 | A | 91 | Very high | 89 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -27 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V754 L758 I816 S820 L821 Q826 L829 E830 F833 | V754-A824 HydrophobicContact CG1-CB 4.14Å; L758-A824 HydrophobicContact CD1-CB 4.31Å; I816-A824 HydrophobicContact CD1-CB 3.88Å; S820-A824 PolarHBondContact O-N 3.12Å; L821-A824 PolarHBondContact O-N 2.69Å; A824-Q826 VanDerWaalsContact C-N 3.33Å; A824-L829 CarbonylContact O-C 3.56Å; A824-E830 WeakPolarHBondContact O-CA 3.19Å; A824-E830 PolarHBondContact O-N 2.97Å; A824-F833 HydrophobicContact CB-CB 4.15Å; A824-F833 HydrophobicContact CB-CD2 4.22Å; A824-F833 HydrophobicContact CB-CG 4.11Å |
| 825 | L | 90.4 | Very high | 89 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.141 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.7 | 175.5 | -70.2 | 173.4 | 0 | 0 | 0 | 113.8 | L821 H823 L855 V856 L859 | L821-L825 HydrophobicContact CD1-CD1 4.18Å; L821-L825 HydrophobicContact CD1-CD2 4.46Å; L821-L825 HydrophobicContact CD1-CG 3.98Å; L821-L825 HydrophobicContact CD2-CD1 4.31Å; L821-L825 HydrophobicContact CG-CD1 3.78Å; L821-L825 HydrophobicContact CG-CG 4.05Å; L821-L825 VanDerWaalsContact O-CB 3.31Å; L821-L825 WeakPolarHBondContact O-CB 3.32Å; L821-L825 VanDerWaalsContact O-CG 3.24Å; L821-L825 WeakPolarHBondContact O-CG 3.37Å; L821-L825 PolarHBondContact O-N 3.1Å; H823-L825 VanDerWaalsContact C-N 3.25Å; H823-L825 PolarHBondContact O-N 3.02Å; L825-L855 HydrophobicContact CD1-CB 3.88Å; L825-L855 HydrophobicContact CD1-CD1 4.32Å; L825-V856 HydrophobicContact CD1-CG2 4.23Å; L825-V856 HydrophobicContact CD2-CG2 4.2Å; L825-L859 HydrophobicContact CD2-CD2 3.99Å |
| 826 | Q | 89.7 | Confident | 89.1 | Confident | 76 Ų | 76 | 42.8 Ų | 42.8 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -75.3 | 149.4 | 172.2 | -62.8 | -176.4 | -13.3 | 0 | 0 | 110.1 | I822 H823 A824 P828 L829 E830 | I822-Q826 WeakPolarHBondContact O-CG 3.45Å; H823-Q826 WeakPolarHBondContact O-CB 3.5Å; H823-Q826 PolarHBondContact O-N 3.02Å; A824-Q826 VanDerWaalsContact C-N 3.33Å; Q826-P828 VanDerWaalsContact C-N 3.33Å; Q826-P828 HydrophobicContact CB-CG 4.37Å; Q826-P828 WeakPolarHBondContact O-CD 3.41Å; Q826-P828 VanDerWaalsContact O-N 3.08Å; Q826-L829 PolarHBondContact O-N 2.95Å; Q826-E830 PolarHBondContact O-N 3.33Å |
| 827 | P | 87.9 | Confident | 89.3 | Confident | 102 Ų | 102 | 42.8 Ų | 42.8 | 66% | 0.662 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -37 | -178.3 | -29 | 35.1 | 0 | 0 | 0 | 117.4 | L829 | P827-L829 VanDerWaalsContact C-N 3.35Å; P827-L829 PolarHBondContact O-N 3.45Å |
| 828 | P | 88.8 | Confident | 89.5 | Confident | 101 Ų | 101 | 43 Ų | 43 | 66% | 0.656 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -24.2 | 179 | 27.5 | -35.7 | 0 | 0 | 0 | 114.3 | Q826 | Q826-P828 VanDerWaalsContact C-N 3.33Å; Q826-P828 HydrophobicContact CB-CG 4.37Å; Q826-P828 WeakPolarHBondContact O-CD 3.41Å; Q826-P828 VanDerWaalsContact O-N 3.08Å |
| 829 | L | 91.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -15.7 | -173.9 | -64.5 | 179.7 | 0 | 0 | 0 | 113.6 | V754 K755 A824 Q826 P827 L831 L832 F833 | V754-L829 HydrophobicContact CG1-CD1 4.5Å; K755-L829 HydrophobicContact CB-CD1 4.33Å; K755-L829 HydrophobicContact CB-CD2 3.8Å; K755-L829 HydrophobicContact CD-CD2 4.13Å; K755-L829 HydrophobicContact CG-CD2 3.74Å; A824-L829 CarbonylContact O-C 3.56Å; Q826-L829 PolarHBondContact O-N 2.95Å; P827-L829 VanDerWaalsContact C-N 3.35Å; P827-L829 PolarHBondContact O-N 3.45Å; L829-L831 VanDerWaalsContact C-N 3.29Å; L829-L831 PolarHBondContact O-N 3.23Å; L829-L832 PolarHBondContact O-N 2.98Å; L829-L832 VanDerWaalsContact O-N 3.14Å; L829-F833 PolarHBondContact O-N 3.39Å |
| 830 | E | 91.6 | Very high | 90.1 | Very high | 59 Ų | 59 | 39 Ų | 39 | 28% | 0.276 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.8 | -36.7 | -173.6 | 70.8 | -177.8 | -176.9 | 0 | 0 | 113.6 | A824 Q826 L834 L859 | A824-E830 WeakPolarHBondContact O-CA 3.19Å; A824-E830 PolarHBondContact O-N 2.97Å; Q826-E830 PolarHBondContact O-N 3.33Å; E830-L834 WeakPolarHBondContact O-CB 3.49Å; E830-L834 PolarHBondContact O-N 3.49Å; E830-L859 HydrophobicContact CB-CD1 3.88Å; E830-L859 HydrophobicContact CB-CD2 4.3Å; E830-L859 HydrophobicContact CG-CD1 4.1Å |
| 831 | L | 92.3 | Very high | 89.8 | Confident | 89 Ų | 89 | 42.2 Ų | 42.2 | 47% | 0.466 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.5 | -42.3 | 177.7 | -66.6 | 179.6 | 0 | 0 | 0 | 111.9 | L829 L834 E835 N863 | L829-L831 VanDerWaalsContact C-N 3.29Å; L829-L831 PolarHBondContact O-N 3.23Å; L831-L834 WeakPolarHBondContact O-CB 3.02Å; L831-L834 PolarHBondContact O-N 2.81Å; L831-E835 WeakPolarHBondContact O-CG 3.26Å; L831-E835 PolarHBondContact O-N 3.37Å; L831-N863 WeakPolarHBondContact CD2-ND2 3.35Å |
| 832 | L | 92.2 | Very high | 89.6 | Confident | 32 Ų | 32 | 42.2 Ų | 42.2 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.9 | 178.9 | 65.7 | 0 | 0 | 0 | 110.9 | L758 E759 L829 L834 E835 V836 | L758-L832 HydrophobicContact CB-CD2 3.78Å; L758-L832 HydrophobicContact CB-CG 4.11Å; E759-L832 HydrophobicContact CG-CD2 3.82Å; L829-L832 PolarHBondContact O-N 2.98Å; L829-L832 VanDerWaalsContact O-N 3.14Å; L832-L834 VanDerWaalsContact C-N 3.3Å; L832-L834 PolarHBondContact O-N 3.07Å; L832-E835 PolarHBondContact O-N 3.16Å; L832-V836 WeakPolarHBondContact O-CG2 3.42Å; L832-V836 PolarHBondContact O-N 3.24Å; L832-V836 VanDerWaalsContact O-N 3.08Å |
| 833 | F | 93.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 173.4 | 170 | -111.2 | 0 | 0 | 0 | 111.3 | L758 L814 I816 L821 A824 L829 V836 A837 L859 | L758-F833 HydrophobicContact CD1-CB 4.15Å; L758-F833 HydrophobicContact CD2-CD2 4.23Å; L814-F833 HydrophobicContact CD2-CD2 4.4Å; L814-F833 HydrophobicContact CD2-CE2 3.91Å; I816-F833 HydrophobicContact CD1-CD2 3.95Å; I816-F833 HydrophobicContact CD1-CE2 3.7Å; I816-F833 HydrophobicContact CG2-CE2 4.18Å; I816-F833 HydrophobicContact CG2-CZ 4.49Å; L821-F833 HydrophobicContact CD1-CE1 4.06Å; L821-F833 HydrophobicContact CD1-CE2 4.3Å; L821-F833 HydrophobicContact CD1-CZ 3.81Å; A824-F833 HydrophobicContact CB-CB 4.15Å; A824-F833 HydrophobicContact CB-CD2 4.22Å; A824-F833 HydrophobicContact CB-CG 4.11Å; L829-F833 PolarHBondContact O-N 3.39Å; F833-V836 PolarHBondContact O-N 3.15Å; F833-A837 HydrophobicContact CE2-CB 4.28Å; F833-A837 HydrophobicContact CZ-CB 4.33Å; F833-A837 WeakPolarHBondContact O-CB 3.31Å; F833-A837 PolarHBondContact O-N 2.85Å; F833-L859 HydrophobicContact CD1-CD2 3.82Å; F833-L859 HydrophobicContact CE1-CD2 4.24Å |
| 834 | L | 92.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.2 | -177 | 67.2 | 0 | 0 | 0 | 112.3 | E830 L831 L832 T838 L859 V860 N863 Q864 | E830-L834 WeakPolarHBondContact O-CB 3.49Å; E830-L834 PolarHBondContact O-N 3.49Å; L831-L834 WeakPolarHBondContact O-CB 3.02Å; L831-L834 PolarHBondContact O-N 2.81Å; L832-L834 VanDerWaalsContact C-N 3.3Å; L832-L834 PolarHBondContact O-N 3.07Å; L834-T838 HydrophobicContact CD1-CG2 3.82Å; L834-T838 HydrophobicContact CG-CG2 4.21Å; L834-T838 VanDerWaalsContact O-CB 3.29Å; L834-T838 WeakPolarHBondContact O-CB 3.49Å; L834-T838 WeakPolarHBondContact O-CG2 3.29Å; L834-T838 PolarHBondContact O-N 3.37Å; L834-T838 PolarHBondContact O-OG1 3.42Å; L834-L859 HydrophobicContact CB-CD2 4.41Å; L834-L859 HydrophobicContact CD1-CG 4.5Å; L834-V860 HydrophobicContact CD1-CG2 3.83Å; L834-N863 HydrophobicContact CD2-CB 3.31Å; L834-Q864 HydrophobicContact CD1-CG 4.16Å; L834-Q864 HydrophobicContact CD2-CG 4.38Å |
| 835 | E | 90.8 | Very high | 89.8 | Confident | 109 Ų | 109 | 36.1 Ų | 36.1 | 51% | 0.509 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.2 | -50 | 177.4 | -74.4 | 177 | -171.8 | 0 | 0 | 111.6 | L831 L832 A837 T838 A839 | L831-E835 WeakPolarHBondContact O-CG 3.26Å; L831-E835 PolarHBondContact O-N 3.37Å; L832-E835 PolarHBondContact O-N 3.16Å; E835-A837 PolarHBondContact O-N 2.82Å; E835-T838 PolarHBondContact O-N 3.24Å; E835-T838 PolarHBondContact O-OG1 3.45Å; E835-T838 VanDerWaalsContact O-OG1 3.11Å; E835-A839 PolarHBondContact O-N 3.18Å; E835-A839 VanDerWaalsContact O-N 3.1Å |
| 836 | V | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 177.4 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | C761 D762 I765 L814 L832 F833 T838 A839 C840 | C761-V836 HydrophobicContact CB-CG1 3.78Å; D762-V836 HydrophobicContact CB-CG2 3.82Å; I765-V836 HydrophobicContact CD1-CG1 4.07Å; L814-V836 HydrophobicContact CD1-CG1 4.29Å; L814-V836 HydrophobicContact CD2-CG1 4.28Å; L832-V836 WeakPolarHBondContact O-CG2 3.42Å; L832-V836 PolarHBondContact O-N 3.24Å; L832-V836 VanDerWaalsContact O-N 3.08Å; F833-V836 PolarHBondContact O-N 3.15Å; V836-T838 VanDerWaalsContact C-N 3.34Å; V836-T838 PolarHBondContact O-N 3.23Å; V836-A839 PolarHBondContact O-N 3.21Å; V836-C840 PolarHBondContact O-N 3.47Å; V836-C840 PolarHBondContact O-SG 3.16Å |
| 837 | A | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.8 | -34.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W703 L814 F833 E835 C840 V843 | W703-A837 HydrophobicContact CH2-CB 3.4Å; W703-A837 HydrophobicContact CZ2-CB 3.72Å; W703-A837 HydrophobicContact CZ3-CB 4.14Å; L814-A837 HydrophobicContact CD2-CB 3.87Å; F833-A837 HydrophobicContact CE2-CB 4.28Å; F833-A837 HydrophobicContact CZ-CB 4.33Å; F833-A837 WeakPolarHBondContact O-CB 3.31Å; F833-A837 PolarHBondContact O-N 2.85Å; E835-A837 PolarHBondContact O-N 2.82Å; A837-C840 PolarHBondContact O-N 2.77Å; A837-V843 HydrophobicContact CB-CG2 4.12Å; A837-V843 WeakPolarHBondContact O-CG2 3.28Å |
| 838 | T | 89.3 | Confident | 88.2 | Confident | 24 Ų | 24 | 30.1 Ų | 30.1 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -77.5 | -25.5 | 177.6 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | Y407 K701 W703 L834 E835 V836 C840 Q864 | Y407-T838 HydrophobicContact CE1-CG2 4.35Å; Y407-T838 WeakPolarHBondContact OH-CG2 3.41Å; K701-T838 PolarHBondContact NZ-O 3.06Å; W703-T838 HydrophobicContact CZ2-CG2 4.41Å; L834-T838 HydrophobicContact CD1-CG2 3.82Å; L834-T838 HydrophobicContact CG-CG2 4.21Å; L834-T838 VanDerWaalsContact O-CB 3.29Å; L834-T838 WeakPolarHBondContact O-CB 3.49Å; L834-T838 WeakPolarHBondContact O-CG2 3.29Å; L834-T838 PolarHBondContact O-N 3.37Å; L834-T838 PolarHBondContact O-OG1 3.42Å; E835-T838 PolarHBondContact O-N 3.24Å; E835-T838 PolarHBondContact O-OG1 3.45Å; E835-T838 VanDerWaalsContact O-OG1 3.11Å; V836-T838 VanDerWaalsContact C-N 3.34Å; V836-T838 PolarHBondContact O-N 3.23Å; T838-C840 VanDerWaalsContact C-N 3.32Å; T838-Q864 HydrophobicContact CG2-CG 4.23Å |
| 839 | A | 86.9 | Confident | 87.6 | Confident | 55 Ų | 55 | 27.4 Ų | 27.4 | 46% | 0.455 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -73.5 | -25.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I765 E835 V836 | I765-A839 HydrophobicContact CD1-CB 4.09Å; I765-A839 HydrophobicContact CG2-CB 3.94Å; E835-A839 PolarHBondContact O-N 3.18Å; E835-A839 VanDerWaalsContact O-N 3.1Å; V836-A839 PolarHBondContact O-N 3.21Å |
| 840 | C | 86.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -74.6 | 147.8 | 174.2 | -64.8 | 0 | 0 | 0 | 0 | 112 | Y812 L814 V836 A837 T838 V843 | Y812-C840 WeakPolarHBondContact O-CA 3.27Å; L814-C840 HydrophobicContact CB-CB 4.23Å; V836-C840 PolarHBondContact O-N 3.47Å; V836-C840 PolarHBondContact O-SG 3.16Å; A837-C840 PolarHBondContact O-N 2.77Å; T838-C840 VanDerWaalsContact C-N 3.32Å; C840-V843 HydrophobicContact CB-CG2 4.25Å |
| 841 | K | 82 | Confident | 86.4 | Confident | 67 Ų | 67 | 32.3 Ų | 32.3 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -78 | -36.5 | 176.1 | -69.9 | -172.5 | -178.9 | 175.1 | 0 | 112.6 | R808 L809 E810 Y812 | R808-K841 PolarHBondContact O-NZ 3.37Å; L809-K841 PolarHBondContact O-NZ 2.88Å; L809-K841 VanDerWaalsContact O-NZ 3.09Å; E810-K841 WeakPolarHBondContact O-CE 3.35Å; E810-K841 PolarHBondContact O-NZ 3.12Å; Y812-K841 PolarHBondContact O-N 2.89Å |
| 842 | A | 84.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L735 A813 L814 | L735-A842 HydrophobicContact CD1-CB 3.67Å; L735-A842 HydrophobicContact CD2-CB 4.08Å; L735-A842 HydrophobicContact CG-CB 3.55Å; A813-A842 CarbonylContact C-O 3.56Å; A813-A842 VanDerWaalsContact CA-O 3.27Å; A813-A842 WeakPolarHBondContact CA-O 3.41Å; A813-A842 HydrophobicContact CB-CB 4.15Å; L814-A842 PolarHBondContact N-O 2.81Å |
| 843 | V | 91.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.6 | 175.7 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | W703 V704 L814 A837 C840 | W703-V843 CarbonylContact C-O 3.5Å; W703-V843 VanDerWaalsContact CA-O 3.27Å; W703-V843 WeakPolarHBondContact CA-O 3.43Å; W703-V843 HydrophobicContact CB-CB 4.34Å; W703-V843 HydrophobicContact CD2-CB 3.72Å; W703-V843 HydrophobicContact CD2-CG1 4.21Å; W703-V843 HydrophobicContact CD2-CG2 3.88Å; W703-V843 HydrophobicContact CE3-CB 4.18Å; W703-V843 HydrophobicContact CE3-CG1 4.15Å; W703-V843 HydrophobicContact CE3-CG2 4.47Å; W703-V843 HydrophobicContact CG-CB 3.75Å; W703-V843 HydrophobicContact CG-CG2 4.17Å; W703-V843 HydrophobicContact CZ2-CG2 3.95Å; V704-V843 PolarHBondContact N-O 3.16Å; L814-V843 HydrophobicContact CB-CG1 4.32Å; L814-V843 HydrophobicContact CB-CG2 4.25Å; L814-V843 HydrophobicContact CD2-CG1 4.23Å; L814-V843 HydrophobicContact CG-CG1 4.49Å; L814-V843 CarbonylContact O-C 3.57Å; L814-V843 WeakPolarHBondContact O-CA 3.42Å; A837-V843 HydrophobicContact CB-CG2 4.12Å; A837-V843 WeakPolarHBondContact O-CG2 3.28Å; C840-V843 HydrophobicContact CB-CG2 4.25Å |
| 844 | I | 90.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 111.7 | 177.4 | -52.2 | 177.5 | 0 | 0 | 0 | 108.3 | V704 A726 L735 L736 L814 V815 I816 | V704-I844 HydrophobicContact CB-CG2 4.42Å; V704-I844 CarbonylContact O-C 3.58Å; V704-I844 WeakPolarHBondContact O-CA 3.43Å; A726-I844 HydrophobicContact CB-CG2 3.92Å; L735-I844 HydrophobicContact CD2-CD1 4.12Å; L735-I844 HydrophobicContact CD2-CG1 3.92Å; L736-I844 HydrophobicContact CD1-CD1 3.95Å; L736-I844 HydrophobicContact CD2-CD1 4.41Å; L736-I844 HydrophobicContact CG-CD1 4.18Å; L814-I844 PolarHBondContact O-N 3.5Å; V815-I844 VanDerWaalsContact CA-O 3.32Å; V815-I844 WeakPolarHBondContact CA-O 3.44Å; V815-I844 HydrophobicContact CG2-CB 4.32Å; I816-I844 PolarHBondContact N-O 2.88Å |
| 845 | C | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.9 | 173.9 | -56 | 0 | 0 | 0 | 0 | 108.5 | V704 L705 T706 I816 L821 V848 | V704-C845 PolarHBondContact O-N 2.99Å; L705-C845 HydrophobicContact CD2-CB 3.56Å; L705-C845 WeakPolarHBondContact CD2-SG 3.43Å; T706-C845 WeakPolarHBondContact CG2-O 3.4Å; T706-C845 PolarHBondContact N-O 3.48Å; I816-C845 HydrophobicContact CG2-CB 4Å; I816-C845 WeakPolarHBondContact CG2-SG 3.41Å; I816-C845 WeakPolarHBondContact O-CA 3.45Å; L821-C845 HydrophobicContact CD2-CB 4.35Å; C845-V848 HydrophobicContact CB-CG2 3.38Å; C845-V848 WeakPolarHBondContact O-CG2 3.09Å |
| 846 | C | 83.5 | Confident | 85.6 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 143.4 | -174.6 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | T706 A726 I816 S817 G818 V848 | T706-C846 CarbonylContact O-C 3.55Å; A726-C846 WeakPolarHBondContact CB-SG 3.34Å; I816-C846 PolarHBondContact O-N 3.45Å; S817-C846 CarbonylContact C-O 3.51Å; G818-C846 WeakPolarHBondContact CA-O 3.47Å; G818-C846 PolarHBondContact N-O 3.26Å; C846-V848 VanDerWaalsContact C-N 3.3Å; C846-V848 PolarHBondContact O-N 3.37Å |
| 847 | R | 75 | Confident | 85.7 | Confident | 67 Ų | 67 | 26.4 Ų | 26.4 | 25% | 0.253 | 15% | 0.146 | S | C | . | . | S | Bend | trans | 56.2 | 41.9 | 175.6 | -64.2 | -176.8 | 155.6 | 172.5 | -3.5 | 114.2 | T706 K709 F722 | T706-R847 WeakPolarHBondContact O-CA 3.41Å; T706-R847 PolarHBondContact O-N 2.94Å; K709-R847 PolarHBondContact O-NE 2.85Å; K709-R847 PolarHBondContact O-NH2 3.22Å; F722-R847 VanDerWaalsContact CE1-CZ 3.49Å; F722-R847 VanDerWaalsContact CZ-NH1 3.29Å |
| 848 | V | 77.6 | Confident | 85.7 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | trans | -84.4 | 128.2 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | T706 G707 L821 C845 C846 Q852 K853 | T706-V848 PolarHBondContact O-N 3.14Å; G707-V848 WeakPolarHBondContact CA-O 3.38Å; L821-V848 HydrophobicContact CD2-CG1 3.98Å; L821-V848 HydrophobicContact CD2-CG2 3.98Å; C845-V848 HydrophobicContact CB-CG2 3.38Å; C845-V848 WeakPolarHBondContact O-CG2 3.09Å; C846-V848 VanDerWaalsContact C-N 3.3Å; C846-V848 PolarHBondContact O-N 3.37Å; V848-Q852 HydrophobicContact CG1-CB 3.33Å; V848-K853 HydrophobicContact CB-CG 4.02Å; V848-K853 HydrophobicContact CG1-CB 4.26Å; V848-K853 HydrophobicContact CG1-CG 3.54Å; V848-K853 VanDerWaalsContact CG1-N 3.33Å | ||
| 849 | T | 76.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 26.8 Ų | 26.8 | 27% | 0.27 | 15% | 0.15 | S | C | . | . | trans | -70.9 | 155.7 | 173 | 69.1 | 0 | 0 | 0 | 0 | 110.7 | L851 Q852 K853 | T849-L851 PolarHBondContact O-N 3.02Å; T849-L851 VanDerWaalsContact O-N 3.07Å; T849-Q852 PolarHBondContact O-N 2.81Å; T849-Q852 VanDerWaalsContact OG1-CG 3.27Å; T849-Q852 WeakPolarHBondContact OG1-CG 3.38Å; T849-Q852 PolarHBondContact OG1-N 3.47Å; T849-K853 PolarHBondContact O-N 3.43Å | ||
| 850 | P | 76.9 | Confident | 86.3 | Confident | 50 Ų | 50 | 24.2 Ų | 24.2 | 33% | 0.325 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -51.1 | -35.3 | 176.6 | -31.2 | 37.6 | 0 | 0 | 0 | 113.9 | A854 N876 S879 | P850-A854 PolarHBondContact O-N 3.05Å; P850-N876 WeakPolarHBondContact CB-O 3.46Å; P850-N876 HydrophobicContact CG-CB 3.98Å; P850-S879 PolarHBondContact O-OG 3.44Å |
| 851 | L | 79.9 | Confident | 86.5 | Confident | 120 Ų | 120 | 27.1 Ų | 27.1 | 63% | 0.628 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -69.1 | -46.8 | 175.9 | -179.1 | 62.8 | 0 | 0 | 0 | 111.7 | T849 K853 A854 L855 | T849-L851 PolarHBondContact O-N 3.02Å; T849-L851 VanDerWaalsContact O-N 3.07Å; L851-K853 VanDerWaalsContact C-N 3.29Å; L851-K853 PolarHBondContact O-N 2.87Å; L851-A854 WeakPolarHBondContact O-CB 3.4Å; L851-A854 PolarHBondContact O-N 3.27Å; L851-A854 VanDerWaalsContact O-N 3.15Å; L851-L855 HydrophobicContact CG-CD1 4.31Å; L851-L855 WeakPolarHBondContact O-CG 3.44Å; L851-L855 PolarHBondContact O-N 3.22Å |
| 852 | Q | 85.3 | Confident | 86.9 | Confident | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | 177.2 | -70.8 | 169.2 | -15.9 | 0 | 0 | 111.8 | G818 L821 V848 T849 A854 L855 V856 | G818-Q852 PolarHBondContact O-NE2 3.34Å; G818-Q852 VanDerWaalsContact O-NE2 3.13Å; L821-Q852 HydrophobicContact CD2-CB 4.34Å; V848-Q852 HydrophobicContact CG1-CB 3.33Å; T849-Q852 PolarHBondContact O-N 2.81Å; T849-Q852 VanDerWaalsContact OG1-CG 3.27Å; T849-Q852 WeakPolarHBondContact OG1-CG 3.38Å; T849-Q852 PolarHBondContact OG1-N 3.47Å; Q852-A854 VanDerWaalsContact C-N 3.29Å; Q852-A854 PolarHBondContact O-N 2.82Å; Q852-L855 PolarHBondContact O-N 3.35Å; Q852-V856 WeakPolarHBondContact O-CG2 3.34Å; Q852-V856 PolarHBondContact O-N 2.87Å |
| 853 | K | 88.6 | Confident | 87.1 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 174.3 | -64.2 | -166.1 | -171.3 | -172.3 | 0 | 110.7 | D411 L705 V848 T849 L851 V857 D877 M880 | D411-K853 IonicContact OD1-NZ 2.71Å; D411-K853 PolarHBondContact OD1-NZ 3.18Å; L705-K853 HydrophobicContact CB-CD 4.2Å; L705-K853 HydrophobicContact CB-CG 4.09Å; L705-K853 HydrophobicContact CD1-CB 4.24Å; L705-K853 WeakPolarHBondContact O-CE 3.27Å; L705-K853 PolarHBondContact O-NZ 2.9Å; L705-K853 VanDerWaalsContact O-NZ 3.07Å; V848-K853 HydrophobicContact CB-CG 4.02Å; V848-K853 HydrophobicContact CG1-CB 4.26Å; V848-K853 HydrophobicContact CG1-CG 3.54Å; V848-K853 VanDerWaalsContact CG1-N 3.33Å; T849-K853 PolarHBondContact O-N 3.43Å; L851-K853 VanDerWaalsContact C-N 3.29Å; L851-K853 PolarHBondContact O-N 2.87Å; K853-V857 WeakPolarHBondContact O-CG2 3.43Å; K853-V857 PolarHBondContact O-N 2.95Å; K853-D877 IonicContact NZ-OD1 2.69Å; K853-D877 PolarHBondContact NZ-OD1 3.34Å; K853-M880 HydrophobicContact CB-CB 4.03Å; K853-M880 HydrophobicContact CB-CG 4.17Å; K853-M880 HydrophobicContact CB-SD 4.17Å; K853-M880 HydrophobicContact CD-SD 4.12Å |
| 854 | A | 87.8 | Confident | 86.9 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P850 L851 Q852 V857 A858 | P850-A854 PolarHBondContact O-N 3.05Å; L851-A854 WeakPolarHBondContact O-CB 3.4Å; L851-A854 PolarHBondContact O-N 3.27Å; L851-A854 VanDerWaalsContact O-N 3.15Å; Q852-A854 VanDerWaalsContact C-N 3.29Å; Q852-A854 PolarHBondContact O-N 2.82Å; A854-V857 PolarHBondContact O-N 3.3Å; A854-A858 WeakPolarHBondContact O-CB 3.39Å; A854-A858 PolarHBondContact O-N 3.4Å |
| 855 | L | 91.4 | Very high | 86.5 | Confident | 82 Ų | 82 | 47.5 Ų | 47.5 | 43% | 0.429 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.8 | -69 | 174.9 | 0 | 0 | 0 | 112.5 | L825 L851 Q852 V857 A858 L859 | L825-L855 HydrophobicContact CD1-CB 3.88Å; L825-L855 HydrophobicContact CD1-CD1 4.32Å; L851-L855 HydrophobicContact CG-CD1 4.31Å; L851-L855 WeakPolarHBondContact O-CG 3.44Å; L851-L855 PolarHBondContact O-N 3.22Å; Q852-L855 PolarHBondContact O-N 3.35Å; L855-V857 VanDerWaalsContact C-N 3.35Å; L855-V857 PolarHBondContact O-N 2.98Å; L855-A858 PolarHBondContact O-N 2.96Å; L855-L859 WeakPolarHBondContact O-CB 3.48Å; L855-L859 PolarHBondContact O-N 3.31Å |
| 856 | V | 93.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 174.5 | 174 | 0 | 0 | 0 | 0 | 110.9 | F409 W703 L705 L821 L825 Q852 A858 L859 V860 | F409-V856 HydrophobicContact CD1-CG1 4.5Å; F409-V856 HydrophobicContact CE1-CG1 4.07Å; W703-V856 HydrophobicContact CE3-CG1 3.93Å; W703-V856 HydrophobicContact CZ3-CG1 3.88Å; L705-V856 HydrophobicContact CD1-CB 4.26Å; L705-V856 HydrophobicContact CD1-CG1 4.22Å; L705-V856 HydrophobicContact CD2-CG1 4.13Å; L821-V856 HydrophobicContact CD1-CG2 4.05Å; L821-V856 HydrophobicContact CD2-CG2 3.85Å; L821-V856 HydrophobicContact CG-CG2 4.39Å; L825-V856 HydrophobicContact CD1-CG2 4.23Å; L825-V856 HydrophobicContact CD2-CG2 4.2Å; Q852-V856 WeakPolarHBondContact O-CG2 3.34Å; Q852-V856 PolarHBondContact O-N 2.87Å; V856-A858 PolarHBondContact O-N 3.42Å; V856-L859 PolarHBondContact O-N 3.34Å; V856-V860 PolarHBondContact O-N 3.2Å |
| 857 | V | 93.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | F409 L705 K853 A854 L855 K861 M880 T883 A884 | F409-V857 HydrophobicContact CB-CG2 4.07Å; F409-V857 HydrophobicContact CD1-CG2 4.03Å; F409-V857 HydrophobicContact CD2-CG1 4.36Å; F409-V857 HydrophobicContact CD2-CG2 3.7Å; F409-V857 HydrophobicContact CE1-CG2 4.4Å; F409-V857 HydrophobicContact CE2-CG1 4.35Å; F409-V857 HydrophobicContact CE2-CG2 4.13Å; F409-V857 HydrophobicContact CG-CG2 3.65Å; F409-V857 HydrophobicContact CZ-CG2 4.46Å; L705-V857 HydrophobicContact CD1-CG2 4.41Å; K853-V857 WeakPolarHBondContact O-CG2 3.43Å; K853-V857 PolarHBondContact O-N 2.95Å; A854-V857 PolarHBondContact O-N 3.3Å; L855-V857 VanDerWaalsContact C-N 3.35Å; L855-V857 PolarHBondContact O-N 2.98Å; V857-K861 WeakPolarHBondContact O-CB 3.31Å; V857-K861 PolarHBondContact O-N 3.26Å; V857-M880 HydrophobicContact CG2-CG 3.63Å; V857-T883 HydrophobicContact CB-CG2 4.4Å; V857-T883 HydrophobicContact CG1-CG2 4.2Å; V857-A884 HydrophobicContact CG1-CB 3.83Å |
| 858 | A | 91.8 | Very high | 87.9 | Confident | 21 Ų | 21 | 45 Ų | 45 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A854 L855 V856 V860 K861 H862 T883 | A854-A858 WeakPolarHBondContact O-CB 3.39Å; A854-A858 PolarHBondContact O-N 3.4Å; L855-A858 PolarHBondContact O-N 2.96Å; V856-A858 PolarHBondContact O-N 3.42Å; A858-V860 PolarHBondContact O-N 3.02Å; A858-K861 PolarHBondContact O-N 2.9Å; A858-H862 WeakPolarHBondContact O-CB 3.32Å; A858-H862 PolarHBondContact O-CD2 2.92Å; A858-H862 PolarHBondContact O-N 3.33Å; A858-T883 HydrophobicContact CB-CG2 3.88Å |
| 859 | L | 93.7 | Very high | 88.8 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.9 | -50.6 | 178 | 179.7 | 65.1 | 0 | 0 | 0 | 111.3 | L825 E830 F833 L834 L855 V856 K861 H862 N863 | L825-L859 HydrophobicContact CD2-CD2 3.99Å; E830-L859 HydrophobicContact CB-CD1 3.88Å; E830-L859 HydrophobicContact CB-CD2 4.3Å; E830-L859 HydrophobicContact CG-CD1 4.1Å; F833-L859 HydrophobicContact CD1-CD2 3.82Å; F833-L859 HydrophobicContact CE1-CD2 4.24Å; L834-L859 HydrophobicContact CB-CD2 4.41Å; L834-L859 HydrophobicContact CD1-CG 4.5Å; L855-L859 WeakPolarHBondContact O-CB 3.48Å; L855-L859 PolarHBondContact O-N 3.31Å; V856-L859 PolarHBondContact O-N 3.34Å; L859-K861 PolarHBondContact O-N 3.37Å; L859-H862 PolarHBondContact O-N 3Å; L859-N863 WeakPolarHBondContact O-CB 3.47Å; L859-N863 PolarHBondContact O-N 2.97Å; L859-N863 VanDerWaalsContact O-N 3.12Å; L859-N863 PolarHBondContact O-OD1 3.22Å; L859-N863 VanDerWaalsContact O-OD1 3.09Å |
| 860 | V | 93.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | Y407 F409 W703 L834 V856 A858 H862 Q864 T868 | Y407-V860 HydrophobicContact CD1-CG1 4.14Å; Y407-V860 HydrophobicContact CD2-CG1 3.99Å; Y407-V860 HydrophobicContact CE1-CG1 4.37Å; Y407-V860 HydrophobicContact CE2-CG1 4.24Å; Y407-V860 HydrophobicContact CG-CG1 3.96Å; F409-V860 HydrophobicContact CE1-CG2 4.2Å; F409-V860 HydrophobicContact CZ-CB 3.75Å; F409-V860 HydrophobicContact CZ-CG1 3.96Å; F409-V860 HydrophobicContact CZ-CG2 3.76Å; W703-V860 HydrophobicContact CH2-CG2 3.69Å; W703-V860 HydrophobicContact CZ2-CG2 4.47Å; W703-V860 HydrophobicContact CZ3-CG2 3.74Å; L834-V860 HydrophobicContact CD1-CG2 3.83Å; V856-V860 PolarHBondContact O-N 3.2Å; A858-V860 PolarHBondContact O-N 3.02Å; V860-H862 PolarHBondContact O-N 3.37Å; V860-Q864 HydrophobicContact CG1-CB 4.13Å; V860-Q864 HydrophobicContact CG1-CG 4.02Å; V860-Q864 WeakPolarHBondContact O-CA 3.4Å; V860-Q864 WeakPolarHBondContact O-CB 3.44Å; V860-Q864 PolarHBondContact O-N 3.42Å; V860-T868 HydrophobicContact CG1-CG2 3.96Å |
| 861 | K | 91.7 | Very high | 90.5 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 27% | 0.27 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.8 | -37.4 | -179.6 | 169.5 | 171.6 | -174.9 | -169.6 | 0 | 114 | V857 A858 L859 T868 T883 | V857-K861 WeakPolarHBondContact O-CB 3.31Å; V857-K861 PolarHBondContact O-N 3.26Å; A858-K861 PolarHBondContact O-N 2.9Å; L859-K861 PolarHBondContact O-N 3.37Å; K861-T868 HydrophobicContact CB-CG2 4.41Å; K861-T883 VanDerWaalsContact CD-O 3.32Å; K861-T883 WeakPolarHBondContact CD-O 3.37Å; K861-T883 PolarHBondContact NZ-O 3.13Å |
| 862 | H | 89.5 | Confident | 91 | Very high | 149 Ų | 149 | 34.6 Ų | 34.6 | 69% | 0.69 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -83.6 | -37.4 | -176.6 | -74.3 | -60.5 | 0 | 0 | 0 | 112.4 | A858 L859 V860 | A858-H862 WeakPolarHBondContact O-CB 3.32Å; A858-H862 PolarHBondContact O-CD2 2.92Å; A858-H862 PolarHBondContact O-N 3.33Å; L859-H862 PolarHBondContact O-N 3Å; V860-H862 PolarHBondContact O-N 3.37Å |
| 863 | N | 90.1 | Very high | 91 | Very high | 71 Ų | 71 | 33.9 Ų | 33.9 | 38% | 0.38 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -97.3 | -31.8 | -171.4 | -63.1 | 61.5 | 0 | 0 | 0 | 112.5 | L831 L834 L859 | L831-N863 WeakPolarHBondContact CD2-ND2 3.35Å; L834-N863 HydrophobicContact CD2-CB 3.31Å; L859-N863 WeakPolarHBondContact O-CB 3.47Å; L859-N863 PolarHBondContact O-N 2.97Å; L859-N863 VanDerWaalsContact O-N 3.12Å; L859-N863 PolarHBondContact O-OD1 3.22Å; L859-N863 VanDerWaalsContact O-OD1 3.09Å |
| 864 | Q | 85.7 | Confident | 90.3 | Very high | 58 Ų | 58 | 33.8 Ų | 33.8 | 27% | 0.271 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -92.3 | 127.2 | 171.5 | -57.1 | -65.5 | -32 | 0 | 0 | 109 | Y407 L834 T838 V860 A866 | Y407-Q864 HydrophobicContact CE2-CB 4.48Å; L834-Q864 HydrophobicContact CD1-CG 4.16Å; L834-Q864 HydrophobicContact CD2-CG 4.38Å; T838-Q864 HydrophobicContact CG2-CG 4.23Å; V860-Q864 HydrophobicContact CG1-CB 4.13Å; V860-Q864 HydrophobicContact CG1-CG 4.02Å; V860-Q864 WeakPolarHBondContact O-CA 3.4Å; V860-Q864 WeakPolarHBondContact O-CB 3.44Å; V860-Q864 PolarHBondContact O-N 3.42Å; Q864-A866 HydrophobicContact CB-CB 4.06Å; Q864-A866 PolarHBondContact O-N 3.39Å |
| 865 | K | 83.5 | Confident | 89.4 | Confident | 221 Ų | 221 | 34.1 Ų | 34.1 | 96% | 0.961 | 17% | 0.169 | S | C | * | . | trans | -73.7 | 45.9 | 172.9 | -65.6 | -178.5 | -178.8 | 175.1 | 0 | 111.5 | ||||
| 866 | A | 87.6 | Confident | 88.7 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -123 | 147.1 | -170 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q406 Y407 Q864 H885 | Q406-A866 HydrophobicContact CB-CB 4.15Å; Q406-A866 HydrophobicContact CG-CB 4.47Å; Q406-A866 VanDerWaalsContact OE1-CB 3.24Å; Y407-A866 HydrophobicContact CD2-CB 3.78Å; Y407-A866 HydrophobicContact CE2-CB 3.7Å; Q864-A866 HydrophobicContact CB-CB 4.06Å; Q864-A866 PolarHBondContact O-N 3.39Å; A866-H885 PolarHBondContact O-CE1 3.38Å |
| 867 | V | 92.7 | Very high | 88.2 | Confident | 14 Ų | 14 | 32.5 Ų | 32.5 | 9% | 0.085 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.2 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 109 | E401 Q404 I405 Q406 Y407 H885 | E401-V867 HydrophobicContact CG-CG1 3.52Å; E401-V867 HydrophobicContact CG-CG2 4.15Å; Q404-V867 HydrophobicContact CB-CB 4.42Å; Q404-V867 HydrophobicContact CB-CG2 3.93Å; Q404-V867 WeakPolarHBondContact O-CB 3.23Å; I405-V867 HydrophobicContact CG1-CG1 3.9Å; Q406-V867 PolarHBondContact N-O 3.38Å; Y407-V867 PolarHBondContact N-O 3.03Å; V867-H885 HydrophobicContact CG1-CB 4.04Å |
| 868 | T | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.7 | -174.5 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | F409 V860 K861 H885 I886 | F409-T868 HydrophobicContact CE2-CG2 3.81Å; V860-T868 HydrophobicContact CG1-CG2 3.96Å; K861-T868 HydrophobicContact CB-CG2 4.41Å; T868-H885 PolarHBondContact N-ND1 3.41Å; T868-H885 WeakPolarHBondContact O-CB 3.06Å; T868-H885 PolarHBondContact O-N 3.43Å; T868-H885 VanDerWaalsContact O-N 3.1Å; T868-H885 PolarHBondContact OG1-N 2.83Å; T868-H885 PolarHBondContact OG1-ND1 3.4Å; T868-I886 PolarHBondContact O-N 2.82Å; T868-I886 VanDerWaalsContact O-N 3.08Å |
| 869 | L | 96.5 | Very high | 87 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.1 | 172.6 | -178.8 | 150.3 | 0 | 0 | 0 | 109.6 | L402 I405 Y407 V408 F409 I871 I886 V888 L912 L916 | L402-L869 HydrophobicContact CD2-CD1 4.46Å; I405-L869 HydrophobicContact CD1-CB 3.88Å; I405-L869 HydrophobicContact CD1-CD1 3.41Å; I405-L869 VanDerWaalsContact CD1-CD1 3.41Å; I405-L869 HydrophobicContact CD1-CG 4.28Å; I405-L869 HydrophobicContact CG1-CB 4.14Å; I405-L869 HydrophobicContact CG2-CB 3.83Å; Y407-L869 PolarHBondContact O-N 2.86Å; V408-L869 CarbonylContact C-O 3.58Å; V408-L869 WeakPolarHBondContact CA-O 3.31Å; V408-L869 HydrophobicContact CG1-CD2 3.96Å; V408-L869 HydrophobicContact CG2-CB 4.3Å; V408-L869 HydrophobicContact CG2-CD2 4.22Å; F409-L869 WeakPolarHBondContact CD2-O 3.48Å; F409-L869 PolarHBondContact N-O 3.04Å; L869-I871 HydrophobicContact CD2-CB 4.11Å; L869-I871 HydrophobicContact CD2-CG2 4.39Å; L869-I886 CarbonylContact C-O 3.57Å; L869-I886 VanDerWaalsContact CA-O 3.31Å; L869-I886 WeakPolarHBondContact CA-O 3.44Å; L869-I886 HydrophobicContact CD1-CG2 4.11Å; L869-I886 HydrophobicContact CG-CB 4.48Å; L869-I886 HydrophobicContact CG-CG2 4.38Å; L869-V888 HydrophobicContact CD1-CG2 3.73Å; L869-V888 HydrophobicContact CD2-CG2 4.09Å; L869-V888 HydrophobicContact CG-CG2 4.02Å; L869-L912 HydrophobicContact CD1-CD1 4.07Å; L869-L912 HydrophobicContact CD2-CD1 4.3Å; L869-L916 HydrophobicContact CD1-CD1 4.5Å; L869-L916 HydrophobicContact CD1-CD2 4.06Å |
| 870 | A | 95.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F409 M880 I881 A884 I886 G887 V888 | F409-A870 HydrophobicContact CB-CB 4.41Å; F409-A870 CarbonylContact O-C 3.54Å; F409-A870 VanDerWaalsContact O-CA 3.31Å; F409-A870 WeakPolarHBondContact O-CA 3.15Å; A870-M880 HydrophobicContact CB-CE 4.24Å; A870-M880 HydrophobicContact CB-CG 3.81Å; A870-M880 HydrophobicContact CB-SD 4.43Å; A870-I881 HydrophobicContact CB-CG1 4.48Å; A870-A884 HydrophobicContact CB-CB 3.54Å; A870-I886 PolarHBondContact N-O 3.14Å; A870-G887 CarbonylContact O-C 3.56Å; A870-G887 WeakPolarHBondContact O-CA 3.44Å; A870-V888 PolarHBondContact O-N 3.27Å |
| 871 | I | 94.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.7 | 179.1 | -173.9 | 168 | 0 | 0 | 0 | 111.2 | V408 F409 D411 T415 L869 M880 V888 V890 I906 F909 L912 | V408-I871 HydrophobicContact CG1-CG2 4.23Å; F409-I871 PolarHBondContact O-N 3.12Å; D411-I871 PolarHBondContact N-O 3.41Å; T415-I871 HydrophobicContact CG2-CD1 4.46Å; T415-I871 HydrophobicContact CG2-CG1 4.04Å; T415-I871 HydrophobicContact CG2-CG2 4.33Å; L869-I871 HydrophobicContact CD2-CB 4.11Å; L869-I871 HydrophobicContact CD2-CG2 4.39Å; I871-M880 WeakPolarHBondContact O-CE 3.45Å; I871-V888 VanDerWaalsContact CA-O 3.3Å; I871-V888 WeakPolarHBondContact CA-O 3.47Å; I871-V888 HydrophobicContact CB-CB 4.14Å; I871-V888 HydrophobicContact CD1-CB 4.28Å; I871-V888 HydrophobicContact CD1-CG1 3.9Å; I871-V888 HydrophobicContact CG1-CB 4.03Å; I871-V888 HydrophobicContact CG1-CG1 4.05Å; I871-V890 HydrophobicContact CD1-CG2 3.68Å; I871-V890 HydrophobicContact CG1-CG2 3.7Å; I871-I906 HydrophobicContact CD1-CD1 3.95Å; I871-F909 HydrophobicContact CD1-CD2 3.79Å; I871-F909 HydrophobicContact CD1-CE2 4.17Å; I871-F909 HydrophobicContact CG2-CD2 4.48Å; I871-F909 HydrophobicContact CG2-CE2 4.01Å; I871-L912 HydrophobicContact CD1-CD1 4.44Å; I871-L912 HydrophobicContact CD1-CD2 4.06Å |
| 872 | G | 89.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 166.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T415 V888 G889 V890 | T415-G872 WeakPolarHBondContact OG1-CA 3.37Å; G872-V888 PolarHBondContact N-O 3.09Å; G872-G889 CarbonylContact O-C 3.52Å; G872-G889 WeakPolarHBondContact O-CA 3.25Å; G872-V890 PolarHBondContact O-N 2.98Å |
| 873 | D | 85.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -116.5 | -28.2 | 179.2 | 68.2 | -44.6 | 0 | 0 | 0 | 113 | G414 T415 V890 A898 | G414-D873 VanDerWaalsContact CA-OD2 3.23Å; G414-D873 WeakPolarHBondContact CA-OD2 3.33Å; T415-D873 PolarHBondContact OG1-N 3.48Å; T415-D873 PolarHBondContact OG1-OD1 3.41Å; D873-V890 WeakPolarHBondContact CA-O 3.29Å; D873-V890 HydrophobicContact CB-CB 4.05Å; D873-V890 WeakPolarHBondContact CB-O 3.2Å; D873-A898 WeakPolarHBondContact O-CB 3.39Å |
| 874 | G | 73.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -95.7 | 169.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | N876 D877 | G874-N876 PolarHBondContact O-N 3.47Å; G874-D877 PolarHBondContact O-N 3.09Å; G874-D877 VanDerWaalsContact O-N 3.16Å |
| 875 | A | 70.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 22.7 Ų | 22.7 | 15% | 0.149 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -60.7 | -31.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E178 D877 V878 Q897 | E178-A875 VanDerWaalsContact O-CB 3.27Å; E178-A875 WeakPolarHBondContact O-CB 3.32Å; A875-D877 PolarHBondContact O-N 3.28Å; A875-D877 VanDerWaalsContact O-N 3.14Å; A875-V878 WeakPolarHBondContact O-CB 3.45Å; A875-V878 WeakPolarHBondContact O-CG2 3.5Å; A875-V878 PolarHBondContact O-N 3.45Å; A875-Q897 HydrophobicContact CB-CB 4.22Å |
| 876 | N | 75.1 | Confident | 87.2 | Confident | 45 Ų | 45 | 12.2 Ų | 12.2 | 24% | 0.241 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -59.7 | -22.4 | 176.3 | -71 | -19.4 | 0 | 0 | 0 | 114 | D180 P850 G874 | D180-N876 VanDerWaalsContact CA-OD1 3.28Å; D180-N876 WeakPolarHBondContact CA-OD1 3.45Å; D180-N876 PolarHBondContact O-ND2 2.74Å; D180-N876 PolarHBondContact O-OD1 3.48Å; D180-N876 VanDerWaalsContact O-OD1 3.09Å; P850-N876 WeakPolarHBondContact CB-O 3.46Å; P850-N876 HydrophobicContact CG-CB 3.98Å; G874-N876 PolarHBondContact O-N 3.47Å |
| 877 | D | 82.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 11.9 Ų | 11.9 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -97.9 | -8.6 | -175.6 | -56.9 | -44.7 | 0 | 0 | 0 | 112.3 | K853 G874 A875 S879 M880 I881 | K853-D877 IonicContact NZ-OD1 2.69Å; K853-D877 PolarHBondContact NZ-OD1 3.34Å; G874-D877 PolarHBondContact O-N 3.09Å; G874-D877 VanDerWaalsContact O-N 3.16Å; A875-D877 PolarHBondContact O-N 3.28Å; A875-D877 VanDerWaalsContact O-N 3.14Å; D877-S879 VanDerWaalsContact C-N 3.28Å; D877-S879 PolarHBondContact O-N 3.18Å; D877-M880 HydrophobicContact CB-CE 3.97Å; D877-M880 WeakPolarHBondContact O-CA 3.46Å; D877-M880 VanDerWaalsContact O-CB 3.32Å; D877-M880 WeakPolarHBondContact O-CB 3.38Å; D877-M880 PolarHBondContact O-N 3.29Å; D877-I881 HydrophobicContact CB-CD1 4.16Å; D877-I881 WeakPolarHBondContact O-CB 3.5Å; D877-I881 VanDerWaalsContact O-CG1 3.26Å; D877-I881 WeakPolarHBondContact O-CG1 3.45Å; D877-I881 PolarHBondContact O-N 2.79Å |
| 878 | V | 79.2 | Confident | 87.5 | Confident | 20 Ų | 20 | 11.2 Ų | 11.2 | 12% | 0.121 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59 | -39.8 | -177.7 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | A875 K882 Q897 A901 | A875-V878 WeakPolarHBondContact O-CB 3.45Å; A875-V878 WeakPolarHBondContact O-CG2 3.5Å; A875-V878 PolarHBondContact O-N 3.45Å; V878-K882 HydrophobicContact CG1-CD 3.92Å; V878-K882 HydrophobicContact CG1-CG 4.45Å; V878-K882 WeakPolarHBondContact O-CB 3.48Å; V878-K882 VanDerWaalsContact O-CG 3.3Å; V878-K882 WeakPolarHBondContact O-CG 3.41Å; V878-K882 PolarHBondContact O-N 2.57Å; V878-Q897 HydrophobicContact CG2-CB 4.3Å; V878-A901 HydrophobicContact CB-CB 4.41Å; V878-A901 HydrophobicContact CG1-CB 3.66Å; V878-A901 HydrophobicContact CG2-CB 4.14Å |
| 879 | S | 82.2 | Confident | 87.2 | Confident | 37 Ų | 37 | 11.2 Ų | 11.2 | 26% | 0.259 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.7 | 54 | 0 | 0 | 0 | 0 | 111.6 | P850 D877 T883 | P850-S879 PolarHBondContact O-OG 3.44Å; D877-S879 VanDerWaalsContact C-N 3.28Å; D877-S879 PolarHBondContact O-N 3.18Å; S879-T883 WeakPolarHBondContact O-CB 3.16Å; S879-T883 PolarHBondContact O-N 3.01Å; S879-T883 VanDerWaalsContact O-N 3.15Å; S879-T883 PolarHBondContact O-OG1 3.28Å |
| 880 | M | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | 176.4 | -171.1 | -175.2 | 59.6 | 0 | 0 | 111.1 | F409 L705 K853 V857 A870 I871 D877 K882 T883 A884 | F409-M880 HydrophobicContact CB-SD 4.12Å; L705-M880 HydrophobicContact CB-SD 4.4Å; L705-M880 HydrophobicContact CD1-SD 3.82Å; K853-M880 HydrophobicContact CB-CB 4.03Å; K853-M880 HydrophobicContact CB-CG 4.17Å; K853-M880 HydrophobicContact CB-SD 4.17Å; K853-M880 HydrophobicContact CD-SD 4.12Å; V857-M880 HydrophobicContact CG2-CG 3.63Å; A870-M880 HydrophobicContact CB-CE 4.24Å; A870-M880 HydrophobicContact CB-CG 3.81Å; A870-M880 HydrophobicContact CB-SD 4.43Å; I871-M880 WeakPolarHBondContact O-CE 3.45Å; D877-M880 HydrophobicContact CB-CE 3.97Å; D877-M880 WeakPolarHBondContact O-CA 3.46Å; D877-M880 VanDerWaalsContact O-CB 3.32Å; D877-M880 WeakPolarHBondContact O-CB 3.38Å; D877-M880 PolarHBondContact O-N 3.29Å; M880-K882 PolarHBondContact O-N 2.79Å; M880-T883 PolarHBondContact O-N 3.31Å; M880-A884 PolarHBondContact O-N 2.94Å; M880-A884 VanDerWaalsContact O-N 3.12Å |
| 881 | I | 88.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 179.2 | -71.4 | 171.8 | 0 | 0 | 0 | 111.8 | K277 A870 D877 T883 A898 | K277-I881 PolarHBondContact NZ-O 3.17Å; K277-I881 VanDerWaalsContact NZ-O 3.13Å; A870-I881 HydrophobicContact CB-CG1 4.48Å; D877-I881 HydrophobicContact CB-CD1 4.16Å; D877-I881 WeakPolarHBondContact O-CB 3.5Å; D877-I881 VanDerWaalsContact O-CG1 3.26Å; D877-I881 WeakPolarHBondContact O-CG1 3.45Å; D877-I881 PolarHBondContact O-N 2.79Å; I881-T883 VanDerWaalsContact C-N 3.33Å; I881-A898 HydrophobicContact CD1-CB 3.86Å |
| 882 | K | 85.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 13.7 Ų | 13.7 | 22% | 0.222 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.2 | -32.7 | 178.2 | -76.9 | 175.6 | 177.8 | 164.2 | 0 | 112.6 | S271 V878 M880 | S271-K882 PolarHBondContact O-NZ 2.84Å; V878-K882 HydrophobicContact CG1-CD 3.92Å; V878-K882 HydrophobicContact CG1-CG 4.45Å; V878-K882 WeakPolarHBondContact O-CB 3.48Å; V878-K882 VanDerWaalsContact O-CG 3.3Å; V878-K882 WeakPolarHBondContact O-CG 3.41Å; V878-K882 PolarHBondContact O-N 2.57Å; M880-K882 PolarHBondContact O-N 2.79Å |
| 883 | T | 88.6 | Confident | 83.5 | Confident | 39 Ų | 39 | 22.3 Ų | 22.3 | 24% | 0.239 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -78.1 | -36.4 | -176.3 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | V857 A858 K861 S879 M880 I881 | V857-T883 HydrophobicContact CB-CG2 4.4Å; V857-T883 HydrophobicContact CG1-CG2 4.2Å; A858-T883 HydrophobicContact CB-CG2 3.88Å; K861-T883 VanDerWaalsContact CD-O 3.32Å; K861-T883 WeakPolarHBondContact CD-O 3.37Å; K861-T883 PolarHBondContact NZ-O 3.13Å; S879-T883 WeakPolarHBondContact O-CB 3.16Å; S879-T883 PolarHBondContact O-N 3.01Å; S879-T883 VanDerWaalsContact O-N 3.15Å; S879-T883 PolarHBondContact O-OG1 3.28Å; M880-T883 PolarHBondContact O-N 3.31Å; I881-T883 VanDerWaalsContact C-N 3.33Å |
| 884 | A | 92.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -60.9 | 158.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | K277 V857 A870 M880 I886 | K277-A884 VanDerWaalsContact CE-O 3.31Å; K277-A884 WeakPolarHBondContact CE-O 3.5Å; K277-A884 PolarHBondContact NZ-O 3.49Å; V857-A884 HydrophobicContact CG1-CB 3.83Å; A870-A884 HydrophobicContact CB-CB 3.54Å; M880-A884 PolarHBondContact O-N 2.94Å; M880-A884 VanDerWaalsContact O-N 3.12Å; A884-I886 VanDerWaalsContact C-N 3.28Å; A884-I886 WeakPolarHBondContact CB-O 3.35Å; A884-I886 PolarHBondContact O-N 3.28Å |
| 885 | H | 92.8 | Very high | 81.5 | Confident | 20 Ų | 20 | 24 Ų | 24 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -62.7 | -39.2 | 171.2 | -66.7 | 101.4 | 0 | 0 | 0 | 111.2 | K277 A866 V867 T868 | K277-H885 WeakPolarHBondContact CD-O 3.35Å; A866-H885 PolarHBondContact O-CE1 3.38Å; V867-H885 HydrophobicContact CG1-CB 4.04Å; T868-H885 PolarHBondContact N-ND1 3.41Å; T868-H885 WeakPolarHBondContact O-CB 3.06Å; T868-H885 PolarHBondContact O-N 3.43Å; T868-H885 VanDerWaalsContact O-N 3.1Å; T868-H885 PolarHBondContact OG1-N 2.83Å; T868-H885 PolarHBondContact OG1-ND1 3.4Å |
| 886 | I | 93.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.7 | 175.2 | -61.8 | 179.5 | 0 | 0 | 0 | 109.3 | E401 L402 I405 T868 L869 A870 A884 V888 F904 | E401-I886 HydrophobicContact CB-CD1 3.93Å; E401-I886 HydrophobicContact CG-CD1 3.96Å; E401-I886 HydrophobicContact CG-CG1 4.4Å; L402-I886 HydrophobicContact CB-CD1 4.49Å; L402-I886 HydrophobicContact CD2-CD1 3.8Å; L402-I886 HydrophobicContact CD2-CG2 3.93Å; L402-I886 HydrophobicContact CG-CD1 4.02Å; I405-I886 HydrophobicContact CD1-CD1 4.05Å; I405-I886 HydrophobicContact CG1-CD1 4.35Å; T868-I886 PolarHBondContact O-N 2.82Å; T868-I886 VanDerWaalsContact O-N 3.08Å; L869-I886 CarbonylContact C-O 3.57Å; L869-I886 VanDerWaalsContact CA-O 3.31Å; L869-I886 WeakPolarHBondContact CA-O 3.44Å; L869-I886 HydrophobicContact CD1-CG2 4.11Å; L869-I886 HydrophobicContact CG-CB 4.48Å; L869-I886 HydrophobicContact CG-CG2 4.38Å; A870-I886 PolarHBondContact N-O 3.14Å; A884-I886 VanDerWaalsContact C-N 3.28Å; A884-I886 WeakPolarHBondContact CB-O 3.35Å; A884-I886 PolarHBondContact O-N 3.28Å; I886-V888 HydrophobicContact CG2-CG2 4.35Å; I886-F904 HydrophobicContact CG2-CD2 3.79Å; I886-F904 HydrophobicContact CG2-CE2 3.92Å |
| 887 | G | 92.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A870 D903 F904 | A870-G887 CarbonylContact O-C 3.56Å; A870-G887 WeakPolarHBondContact O-CA 3.44Å; G887-D903 PolarHBondContact N-OD2 3.44Å; G887-D903 WeakPolarHBondContact O-CA 3.49Å; G887-D903 WeakPolarHBondContact O-CB 3.16Å; G887-D903 PolarHBondContact O-N 2.89Å; G887-F904 PolarHBondContact O-N 3.41Å; G887-F904 VanDerWaalsContact O-N 3.11Å |
| 888 | V | 94.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.6 | 176.5 | -176.8 | 0 | 0 | 0 | 0 | 110 | L869 A870 I871 G872 I886 F904 I906 L912 L915 | L869-V888 HydrophobicContact CD1-CG2 3.73Å; L869-V888 HydrophobicContact CD2-CG2 4.09Å; L869-V888 HydrophobicContact CG-CG2 4.02Å; A870-V888 PolarHBondContact O-N 3.27Å; I871-V888 VanDerWaalsContact CA-O 3.3Å; I871-V888 WeakPolarHBondContact CA-O 3.47Å; I871-V888 HydrophobicContact CB-CB 4.14Å; I871-V888 HydrophobicContact CD1-CB 4.28Å; I871-V888 HydrophobicContact CD1-CG1 3.9Å; I871-V888 HydrophobicContact CG1-CB 4.03Å; I871-V888 HydrophobicContact CG1-CG1 4.05Å; G872-V888 PolarHBondContact N-O 3.09Å; I886-V888 HydrophobicContact CG2-CG2 4.35Å; V888-F904 CarbonylContact C-O 3.58Å; V888-F904 VanDerWaalsContact CA-O 3.26Å; V888-F904 WeakPolarHBondContact CA-O 2.93Å; V888-F904 HydrophobicContact CG2-CB 4.36Å; V888-I906 HydrophobicContact CG1-CD1 3.77Å; V888-I906 HydrophobicContact CG1-CG1 3.81Å; V888-L912 HydrophobicContact CG2-CD1 4.37Å; V888-L915 HydrophobicContact CG2-CD2 4.49Å |
| 889 | G | 90.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G872 S902 F904 C905 I906 | G872-G889 CarbonylContact O-C 3.52Å; G872-G889 WeakPolarHBondContact O-CA 3.25Å; G889-S902 PolarHBondContact N-OG 3.39Å; G889-F904 PolarHBondContact N-O 2.96Å; G889-C905 WeakPolarHBondContact O-CA 3.37Å; G889-I906 PolarHBondContact O-N 3.47Å |
| 890 | V | 89.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.5 | 168.3 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | T415 I871 G872 D873 G892 I906 | T415-V890 HydrophobicContact CG2-CG2 4.21Å; I871-V890 HydrophobicContact CD1-CG2 3.68Å; I871-V890 HydrophobicContact CG1-CG2 3.7Å; G872-V890 PolarHBondContact O-N 2.98Å; D873-V890 WeakPolarHBondContact CA-O 3.29Å; D873-V890 HydrophobicContact CB-CB 4.05Å; D873-V890 WeakPolarHBondContact CB-O 3.2Å; V890-G892 VanDerWaalsContact C-N 3.26Å; V890-G892 PolarHBondContact O-N 3.06Å; V890-I906 WeakPolarHBondContact CA-O 3.48Å; V890-I906 HydrophobicContact CG2-CG1 4.19Å |
| 891 | S | 80.1 | Confident | 79.4 | Confident | 25 Ų | 25 | 32.3 Ų | 32.3 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | trans | -75.1 | 79.8 | 175.8 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | I906 | S891-I906 PolarHBondContact N-O 3.34Š| ||
| 892 | G | 66.5 | Low | 79.3 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 27% | 0.268 | 18% | 0.179 | S | C | . | . | trans | -83.2 | -177.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V890 | V890-G892 VanDerWaalsContact C-N 3.26Å; V890-G892 PolarHBondContact O-N 3.06Å | ||
| 893 | Q | 61.3 | Low | 79.4 | Confident | 181 Ų | 181 | 30.6 Ų | 30.6 | 85% | 0.846 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -83.6 | -16.6 | 170.4 | -64.7 | -170.7 | -5 | 0 | 0 | 112.3 | G895 | Q893-G895 PolarHBondContact O-N 3.24Å; Q893-G895 VanDerWaalsContact O-N 3.1Å |
| 894 | E | 57.2 | Low | 79.6 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 9% | 0.089 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -78.1 | 13.4 | -173.6 | -53.2 | -160.9 | 161.7 | 0 | 0 | 114.1 | A177 T183 N419 | A177-E894 WeakPolarHBondContact CB-O 3.09Å; T183-E894 HydrophobicContact CG2-CB 4.28Å; T183-E894 HydrophobicContact CG2-CG 3.79Å; N419-E894 PolarHBondContact ND2-OE1 3.28Å |
| 895 | G | 60 | Low | 79.5 | Confident | 21 Ų | 21 | 29.3 Ų | 29.3 | 22% | 0.216 | 16% | 0.163 | C | C | . | . | trans | 107.8 | 172 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q893 | Q893-G895 PolarHBondContact O-N 3.24Å; Q893-G895 VanDerWaalsContact O-N 3.1Å | ||
| 896 | M | 68.9 | Low | 79.5 | Confident | 116 Ų | 116 | 28.4 Ų | 28.4 | 57% | 0.571 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -100.1 | 4.7 | -174.1 | -62.4 | -175.8 | 76.5 | 0 | 0 | 113.9 | A898 V899 L900 | M896-A898 PolarHBondContact O-N 2.93Å; M896-V899 WeakPolarHBondContact O-CB 3.44Å; M896-V899 PolarHBondContact O-N 3.27Å; M896-L900 HydrophobicContact CB-CG 4.48Å; M896-L900 WeakPolarHBondContact O-CB 3.42Å; M896-L900 VanDerWaalsContact O-CG 3.29Å; M896-L900 WeakPolarHBondContact O-CG 3.11Å; M896-L900 PolarHBondContact O-N 2.89Å |
| 897 | Q | 69.7 | Low | 79.3 | Confident | 53 Ų | 53 | 28.6 Ų | 28.6 | 25% | 0.248 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -40.7 | -170.3 | -65.9 | -61.8 | -22.6 | 0 | 0 | 113.1 | E178 A875 V878 L900 A901 | E178-Q897 HydrophobicContact CB-CG 4.32Å; A875-Q897 HydrophobicContact CB-CB 4.22Å; V878-Q897 HydrophobicContact CG2-CB 4.3Å; Q897-L900 PolarHBondContact O-N 3.42Å; Q897-A901 WeakPolarHBondContact O-CB 3.5Å; Q897-A901 PolarHBondContact O-N 3.39Å |
| 898 | A | 73 | Confident | 79.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | D873 I881 M896 L900 A901 S902 | D873-A898 WeakPolarHBondContact O-CB 3.39Å; I881-A898 HydrophobicContact CD1-CB 3.86Å; M896-A898 PolarHBondContact O-N 2.93Å; A898-L900 VanDerWaalsContact C-N 3.27Å; A898-L900 PolarHBondContact O-N 3.48Å; A898-A901 CarbonylContact O-C 3.55Å; A898-A901 PolarHBondContact O-N 2.88Å; A898-A901 VanDerWaalsContact O-N 3.13Å; A898-S902 VanDerWaalsContact O-CB 3.25Å; A898-S902 WeakPolarHBondContact O-CB 3.3Å; A898-S902 PolarHBondContact O-N 2.9Å; A898-S902 PolarHBondContact O-OG 2.92Å |
| 899 | V | 77.7 | Confident | 79.2 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 176.5 | 172 | 0 | 0 | 0 | 0 | 112.1 | R394 M896 S902 C905 | R394-V899 PolarHBondContact NH1-O 2.94Å; M896-V899 WeakPolarHBondContact O-CB 3.44Å; M896-V899 PolarHBondContact O-N 3.27Å; V899-S902 WeakPolarHBondContact CA-OG 3.3Å; V899-S902 PolarHBondContact O-OG 3.46Å; V899-S902 VanDerWaalsContact O-OG 3.05Å; V899-C905 HydrophobicContact CG1-CB 3.92Å; V899-C905 WeakPolarHBondContact CG1-SG 3.21Å |
| 900 | L | 71.8 | Confident | 79.3 | Confident | 88 Ų | 88 | 33.2 Ų | 33.2 | 46% | 0.461 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.9 | -34.7 | 176 | -70.6 | -179.5 | 0 | 0 | 0 | 113.1 | R394 M896 Q897 A898 | R394-L900 VanDerWaalsContact NH1-CA 3.29Å; M896-L900 HydrophobicContact CB-CG 4.48Å; M896-L900 WeakPolarHBondContact O-CB 3.42Å; M896-L900 VanDerWaalsContact O-CG 3.29Å; M896-L900 WeakPolarHBondContact O-CG 3.11Å; M896-L900 PolarHBondContact O-N 2.89Å; Q897-L900 PolarHBondContact O-N 3.42Å; A898-L900 VanDerWaalsContact C-N 3.27Å; A898-L900 PolarHBondContact O-N 3.48Å |
| 901 | A | 73.6 | Confident | 79.6 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 23% | 0.231 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -91 | -16.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V878 Q897 A898 | V878-A901 HydrophobicContact CB-CB 4.41Å; V878-A901 HydrophobicContact CG1-CB 3.66Å; V878-A901 HydrophobicContact CG2-CB 4.14Å; Q897-A901 WeakPolarHBondContact O-CB 3.5Å; Q897-A901 PolarHBondContact O-N 3.39Å; A898-A901 CarbonylContact O-C 3.55Å; A898-A901 PolarHBondContact O-N 2.88Å; A898-A901 VanDerWaalsContact O-N 3.13Å |
| 902 | S | 85.9 | Confident | 80.3 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | trans | -77.9 | 153.9 | -175.1 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | G889 A898 V899 F904 | G889-S902 PolarHBondContact N-OG 3.39Å; A898-S902 VanDerWaalsContact O-CB 3.25Å; A898-S902 WeakPolarHBondContact O-CB 3.3Å; A898-S902 PolarHBondContact O-N 2.9Å; A898-S902 PolarHBondContact O-OG 2.92Å; V899-S902 WeakPolarHBondContact CA-OG 3.3Å; V899-S902 PolarHBondContact O-OG 3.46Å; V899-S902 VanDerWaalsContact O-OG 3.05Å; S902-F904 WeakPolarHBondContact CB-O 3.35Å; S902-F904 PolarHBondContact OG-O 3.49Å | ||
| 903 | D | 88.4 | Confident | 81.6 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.064 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -77 | -37.4 | 173.2 | -60.6 | -57.9 | 0 | 0 | 0 | 111.8 | K277 R394 T395 L398 G887 | K277-D903 WeakPolarHBondContact CE-OD2 3.48Å; K277-D903 IonicContact NZ-OD2 3.43Å; K277-D903 PolarHBondContact NZ-OD2 2.73Å; R394-D903 WeakPolarHBondContact CA-O 3.35Å; R394-D903 WeakPolarHBondContact CB-O 3.31Å; R394-D903 PolarHBondContact N-O 3.23Å; T395-D903 WeakPolarHBondContact CB-OD1 3.45Å; T395-D903 PolarHBondContact N-O 3.33Å; T395-D903 VanDerWaalsContact N-O 3.1Å; T395-D903 PolarHBondContact OG1-OD1 3.03Å; L398-D903 HydrophobicContact CD1-CB 3.89Å; L398-D903 VanDerWaalsContact CD1-CG 3.42Å; G887-D903 PolarHBondContact N-OD2 3.44Å; G887-D903 WeakPolarHBondContact O-CA 3.49Å; G887-D903 WeakPolarHBondContact O-CB 3.16Å; G887-D903 PolarHBondContact O-N 2.89Å |
| 904 | F | 92.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.6 | 174.9 | -60.7 | -89.6 | 0 | 0 | 0 | 110.1 | I376 R392 A393 L398 N399 L402 I886 G887 V888 G889 S902 L915 | I376-F904 HydrophobicContact CD1-CE1 3.91Å; R392-F904 CarbonylContact O-C 3.47Å; R392-F904 WeakPolarHBondContact O-CA 3.42Å; A393-F904 HydrophobicContact CB-CD1 3.72Å; A393-F904 HydrophobicContact CB-CE1 3.57Å; L398-F904 HydrophobicContact CB-CE2 4.19Å; L398-F904 HydrophobicContact CB-CZ 4.41Å; N399-F904 WeakPolarHBondContact OD1-CE1 3.1Å; L402-F904 HydrophobicContact CD1-CD1 4.37Å; L402-F904 HydrophobicContact CD1-CE1 3.76Å; L402-F904 HydrophobicContact CD1-CE2 3.92Å; L402-F904 HydrophobicContact CD1-CZ 3.51Å; L402-F904 HydrophobicContact CD2-CD2 4.18Å; L402-F904 HydrophobicContact CD2-CE2 3.92Å; L402-F904 HydrophobicContact CD2-CZ 4.38Å; L402-F904 HydrophobicContact CG-CE2 3.96Å; L402-F904 HydrophobicContact CG-CZ 3.98Å; I886-F904 HydrophobicContact CG2-CD2 3.79Å; I886-F904 HydrophobicContact CG2-CE2 3.92Å; G887-F904 PolarHBondContact O-N 3.41Å; G887-F904 VanDerWaalsContact O-N 3.11Å; V888-F904 CarbonylContact C-O 3.58Å; V888-F904 VanDerWaalsContact CA-O 3.26Å; V888-F904 WeakPolarHBondContact CA-O 2.93Å; V888-F904 HydrophobicContact CG2-CB 4.36Å; G889-F904 PolarHBondContact N-O 2.96Å; S902-F904 WeakPolarHBondContact CB-O 3.35Å; S902-F904 PolarHBondContact OG-O 3.49Å; F904-L915 HydrophobicContact CB-CD2 4.26Å; F904-L915 HydrophobicContact CD1-CD1 4.37Å; F904-L915 HydrophobicContact CG-CD2 4.45Å |
| 905 | C | 90.7 | Very high | 85.1 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.3 | 172.9 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | A391 R392 G889 V899 | A391-C905 CarbonylContact C-O 3.54Å; A391-C905 WeakPolarHBondContact CA-O 3.43Å; R392-C905 HydrophobicContact CB-CB 4.36Å; R392-C905 PolarHBondContact N-O 3.44Å; R392-C905 PolarHBondContact O-N 2.93Å; G889-C905 WeakPolarHBondContact O-CA 3.37Å; V899-C905 HydrophobicContact CG1-CB 3.92Å; V899-C905 WeakPolarHBondContact CG1-SG 3.21Å |
| 906 | I | 93 | Very high | 86.8 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.2 | 173.7 | 61.6 | 179.5 | 0 | 0 | 0 | 110.4 | A391 I871 V888 G889 V890 S891 Q908 F911 L912 L915 | A391-I906 HydrophobicContact CB-CG2 4.33Å; I871-I906 HydrophobicContact CD1-CD1 3.95Å; V888-I906 HydrophobicContact CG1-CD1 3.77Å; V888-I906 HydrophobicContact CG1-CG1 3.81Å; G889-I906 PolarHBondContact O-N 3.47Å; V890-I906 WeakPolarHBondContact CA-O 3.48Å; V890-I906 HydrophobicContact CG2-CG1 4.19Å; S891-I906 PolarHBondContact N-O 3.34Å; I906-Q908 WeakPolarHBondContact CD1-O 3.48Å; I906-F911 HydrophobicContact CB-CB 4.29Å; I906-F911 HydrophobicContact CD1-CB 4.46Å; I906-F911 HydrophobicContact CG2-CB 4.4Å; I906-L912 HydrophobicContact CD1-CB 4.2Å; I906-L915 HydrophobicContact CG2-CD2 4.29Å |
| 907 | G | 88.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 4% | 0.041 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -75.2 | -30 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T389 | T389-G907 WeakPolarHBondContact OG1-CA 3.35Š|
| 908 | Q | 91.4 | Very high | 89.3 | Confident | 14 Ų | 14 | 15.8 Ų | 15.8 | 7% | 0.065 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -149.4 | 156.6 | -177 | -71.5 | -176.7 | -47.3 | 0 | 0 | 110.5 | H384 Q685 I906 R910 F911 | H384-Q908 PolarHBondContact CD2-OE1 3Å; H384-Q908 VanDerWaalsContact CD2-OE1 3.26Å; H384-Q908 PolarHBondContact NE2-NE2 3.48Å; Q685-Q908 VanDerWaalsContact OE1-CA 3.28Å; I906-Q908 WeakPolarHBondContact CD1-O 3.48Å; Q908-R910 VanDerWaalsContact C-N 3.31Å; Q908-R910 HydrophobicContact CB-CG 4.22Å; Q908-R910 PolarHBondContact O-N 2.74Å; Q908-R910 VanDerWaalsContact OE1-NE 3.12Å; Q908-F911 HydrophobicContact CB-CD2 4.29Å; Q908-F911 HydrophobicContact CB-CE2 4.25Å; Q908-F911 PolarHBondContact O-N 3.23Å |
| 909 | F | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -36.1 | -179.6 | -174.4 | -89.5 | 0 | 0 | 0 | 113.4 | T415 L416 V688 T691 I692 I871 F911 L912 | T415-F909 HydrophobicContact CG2-CD2 3.91Å; L416-F909 HydrophobicContact CD2-CD1 4.14Å; L416-F909 HydrophobicContact CD2-CD2 3.78Å; L416-F909 HydrophobicContact CD2-CE1 3.97Å; L416-F909 HydrophobicContact CD2-CE2 3.59Å; L416-F909 HydrophobicContact CD2-CG 4.05Å; L416-F909 HydrophobicContact CD2-CZ 3.7Å; V688-F909 HydrophobicContact CB-CD1 4.4Å; V688-F909 HydrophobicContact CG1-CD1 4.35Å; V688-F909 HydrophobicContact CG2-CB 4.01Å; V688-F909 HydrophobicContact CG2-CD1 3.87Å; V688-F909 HydrophobicContact CG2-CG 4.2Å; T691-F909 HydrophobicContact CG2-CD1 4.09Å; T691-F909 HydrophobicContact CG2-CE1 3.77Å; I692-F909 HydrophobicContact CD1-CE1 4.47Å; I692-F909 HydrophobicContact CG1-CE1 3.94Å; I692-F909 HydrophobicContact CG1-CZ 4.24Å; I871-F909 HydrophobicContact CD1-CD2 3.79Å; I871-F909 HydrophobicContact CD1-CE2 4.17Å; I871-F909 HydrophobicContact CG2-CD2 4.48Å; I871-F909 HydrophobicContact CG2-CE2 4.01Å; F909-F911 PolarHBondContact O-N 2.82Å; F909-L912 HydrophobicContact CE2-CD2 4Å; F909-L912 HydrophobicContact CZ-CD2 4.07Å; F909-L912 WeakPolarHBondContact O-CB 3.45Å; F909-L912 PolarHBondContact O-N 3.3Å |
| 910 | R | 92.9 | Very high | 91.2 | Very high | 83 Ų | 83 | 15.8 Ų | 15.8 | 31% | 0.313 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.8 | -179.9 | 65.9 | 172 | -177.4 | -157.3 | -12.7 | 114.7 | E686 T691 Q908 L912 E913 | E686-R910 WeakPolarHBondContact O-CB 3.35Å; E686-R910 IonicContact OE2-CZ 2.72Å; E686-R910 IonicContact OE2-NH1 3.54Å; E686-R910 PolarHBondContact OE2-NH1 2.76Å; E686-R910 IonicContact OE2-NH2 3.74Å; T691-R910 WeakPolarHBondContact OG1-CA 3.4Å; T691-R910 PolarHBondContact OG1-O 3.23Å; Q908-R910 VanDerWaalsContact C-N 3.31Å; Q908-R910 HydrophobicContact CB-CG 4.22Å; Q908-R910 PolarHBondContact O-N 2.74Å; Q908-R910 VanDerWaalsContact OE1-NE 3.12Å; R910-L912 PolarHBondContact O-N 3.27Å; R910-E913 WeakPolarHBondContact O-CB 3.22Å; R910-E913 PolarHBondContact O-N 2.62Å |
| 911 | F | 95 | Very high | 92.3 | Very high | 12 Ų | 12 | 12.3 Ų | 12.3 | 5% | 0.053 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -72.4 | -15.2 | 179.1 | -59 | -39.1 | 0 | 0 | 0 | 112.5 | F381 M382 H384 I906 Q908 F909 E913 R914 L915 | F381-F911 WeakPolarHBondContact O-CD1 3.4Å; F381-F911 WeakPolarHBondContact O-CE1 3.33Å; M382-F911 HydrophobicContact CB-CB 4.36Å; M382-F911 HydrophobicContact CB-CD1 4.46Å; M382-F911 HydrophobicContact CB-CG 4.26Å; M382-F911 HydrophobicContact CG-CB 4.24Å; M382-F911 HydrophobicContact CG-CD1 4.49Å; M382-F911 HydrophobicContact CG-CG 4.46Å; H384-F911 HydrophobicContact CB-CE2 4Å; H384-F911 HydrophobicContact CB-CZ 4.45Å; I906-F911 HydrophobicContact CB-CB 4.29Å; I906-F911 HydrophobicContact CD1-CB 4.46Å; I906-F911 HydrophobicContact CG2-CB 4.4Å; Q908-F911 HydrophobicContact CB-CD2 4.29Å; Q908-F911 HydrophobicContact CB-CE2 4.25Å; Q908-F911 PolarHBondContact O-N 3.23Å; F909-F911 PolarHBondContact O-N 2.82Å; F911-E913 PolarHBondContact O-N 2.89Å; F911-R914 PolarHBondContact O-N 2.92Å; F911-L915 WeakPolarHBondContact O-CB 3.13Å; F911-L915 PolarHBondContact O-N 3.35Å |
| 912 | L | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.6 | -36.8 | 172.8 | -171 | 63.8 | 0 | 0 | 0 | 111.4 | V408 L695 L869 I871 V888 I906 F909 R910 R914 L915 L916 | V408-L912 HydrophobicContact CG1-CD2 4.27Å; L695-L912 HydrophobicContact CD1-CD2 4.12Å; L695-L912 HydrophobicContact CD1-CG 4.44Å; L869-L912 HydrophobicContact CD1-CD1 4.07Å; L869-L912 HydrophobicContact CD2-CD1 4.3Å; I871-L912 HydrophobicContact CD1-CD1 4.44Å; I871-L912 HydrophobicContact CD1-CD2 4.06Å; V888-L912 HydrophobicContact CG2-CD1 4.37Å; I906-L912 HydrophobicContact CD1-CB 4.2Å; F909-L912 HydrophobicContact CE2-CD2 4Å; F909-L912 HydrophobicContact CZ-CD2 4.07Å; F909-L912 WeakPolarHBondContact O-CB 3.45Å; F909-L912 PolarHBondContact O-N 3.3Å; R910-L912 PolarHBondContact O-N 3.27Å; L912-R914 PolarHBondContact O-N 3.25Å; L912-L915 HydrophobicContact CD1-CD2 4.39Å; L912-L915 PolarHBondContact O-N 2.93Å; L912-L916 HydrophobicContact CD1-CD1 4.13Å; L912-L916 HydrophobicContact CD1-CG 4.13Å; L912-L916 HydrophobicContact CG-CD1 4.1Å; L912-L916 HydrophobicContact CG-CG 4.35Å; L912-L916 WeakPolarHBondContact O-CG 3.36Å; L912-L916 PolarHBondContact O-N 3.34Å |
| 913 | E | 94.5 | Very high | 93.7 | Very high | 28 Ų | 28 | 11.7 Ų | 11.7 | 13% | 0.131 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.1 | -49.8 | 175.8 | -169.4 | -175.7 | 153.5 | 0 | 0 | 111.8 | T691 N694 R910 F911 L916 L917 L993 | T691-E913 HydrophobicContact CG2-CB 3.78Å; T691-E913 PolarHBondContact OG1-OE2 3Å; N694-E913 HydrophobicContact CB-CG 4.28Å; N694-E913 VanDerWaalsContact ND2-CD 3.33Å; N694-E913 PolarHBondContact ND2-OE1 3.5Å; R910-E913 WeakPolarHBondContact O-CB 3.22Å; R910-E913 PolarHBondContact O-N 2.62Å; F911-E913 PolarHBondContact O-N 2.89Å; E913-L916 PolarHBondContact O-N 3.37Å; E913-L917 HydrophobicContact CG-CD1 3.76Å; E913-L917 HydrophobicContact CG-CG 4.44Å; E913-L917 VanDerWaalsContact O-CB 3.29Å; E913-L917 WeakPolarHBondContact O-CB 3.26Å; E913-L917 WeakPolarHBondContact O-CG 3.48Å; E913-L917 PolarHBondContact O-N 2.99Å; E913-L993 HydrophobicContact CG-CD2 3.82Å |
| 914 | R | 95.2 | Very high | 94 | Very high | 33 Ų | 33 | 11.4 Ų | 11.4 | 13% | 0.125 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -71.8 | -37.3 | -179.3 | -172.1 | 168.6 | 179.7 | 94.1 | 0.1 | 111.8 | D379 M382 F911 L912 L916 V918 H919 D989 | D379-R914 IonicContact OD1-CZ 3.81Å; D379-R914 IonicContact OD1-NE 2.85Å; D379-R914 IonicContact OD1-NH2 3.89Å; D379-R914 IonicContact OD2-CZ 2.71Å; D379-R914 IonicContact OD2-NE 3.75Å; D379-R914 PolarHBondContact OD2-NE 3Å; D379-R914 IonicContact OD2-NH2 3.77Å; D379-R914 PolarHBondContact OD2-NH2 2.84Å; M382-R914 HydrophobicContact CG-CB 4.29Å; M382-R914 HydrophobicContact CG-CG 4.23Å; M382-R914 HydrophobicContact SD-CB 4.28Å; M382-R914 HydrophobicContact SD-CG 4.3Å; F911-R914 PolarHBondContact O-N 2.92Å; L912-R914 PolarHBondContact O-N 3.25Å; R914-L916 VanDerWaalsContact C-N 3.32Å; R914-L916 PolarHBondContact O-N 3.4Å; R914-V918 HydrophobicContact CG-CB 4.27Å; R914-V918 HydrophobicContact CG-CG2 4.11Å; R914-V918 VanDerWaalsContact O-CB 3.31Å; R914-V918 WeakPolarHBondContact O-CB 3.35Å; R914-V918 PolarHBondContact O-N 3.48Å; R914-H919 PolarHBondContact O-N 2.71Å; R914-D989 IonicContact CZ-OD2 3.66Å; R914-D989 IonicContact NH1-OD2 2.99Å; R914-D989 PolarHBondContact NH1-OD2 3.48Å; R914-D989 IonicContact NH2-OD2 2.79Å; R914-D989 PolarHBondContact NH2-OD2 3.32Å |
| 915 | L | 96.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -59.3 | -43 | 175.7 | -178 | 62.6 | 0 | 0 | 0 | 111.4 | I376 M382 L402 V888 F904 I906 F911 L912 H919 G920 | I376-L915 HydrophobicContact CD1-CD1 4.18Å; I376-L915 HydrophobicContact CG1-CD1 4.46Å; I376-L915 HydrophobicContact CG2-CD1 4.08Å; M382-L915 HydrophobicContact SD-CB 4.19Å; L402-L915 HydrophobicContact CD1-CD1 3.81Å; L402-L915 HydrophobicContact CD1-CG 4.1Å; L402-L915 HydrophobicContact CD2-CD2 4.41Å; L402-L915 HydrophobicContact CD2-CG 4.36Å; V888-L915 HydrophobicContact CG2-CD2 4.49Å; F904-L915 HydrophobicContact CB-CD2 4.26Å; F904-L915 HydrophobicContact CD1-CD1 4.37Å; F904-L915 HydrophobicContact CG-CD2 4.45Å; I906-L915 HydrophobicContact CG2-CD2 4.29Å; F911-L915 WeakPolarHBondContact O-CB 3.13Å; F911-L915 PolarHBondContact O-N 3.35Å; L912-L915 HydrophobicContact CD1-CD2 4.39Å; L912-L915 PolarHBondContact O-N 2.93Å; L915-H919 WeakPolarHBondContact O-CB 3.25Å; L915-G920 PolarHBondContact O-N 3.45Å |
| 916 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -83.8 | -59.3 | -178.2 | -60.8 | -172.7 | 0 | 0 | 0 | 112.7 | L402 I405 L695 L869 L912 E913 R914 V918 G920 R921 Y999 | L402-L916 HydrophobicContact CB-CD2 4.22Å; L402-L916 HydrophobicContact CD2-CD2 3.74Å; I405-L916 HydrophobicContact CD1-CD1 4.34Å; I405-L916 HydrophobicContact CD1-CD2 3.36Å; I405-L916 HydrophobicContact CD1-CG 4.49Å; L695-L916 HydrophobicContact CD2-CB 4.44Å; L695-L916 HydrophobicContact CD2-CD1 3.91Å; L869-L916 HydrophobicContact CD1-CD1 4.5Å; L869-L916 HydrophobicContact CD1-CD2 4.06Å; L912-L916 HydrophobicContact CD1-CD1 4.13Å; L912-L916 HydrophobicContact CD1-CG 4.13Å; L912-L916 HydrophobicContact CG-CD1 4.1Å; L912-L916 HydrophobicContact CG-CG 4.35Å; L912-L916 WeakPolarHBondContact O-CG 3.36Å; L912-L916 PolarHBondContact O-N 3.34Å; E913-L916 PolarHBondContact O-N 3.37Å; R914-L916 VanDerWaalsContact C-N 3.32Å; R914-L916 PolarHBondContact O-N 3.4Å; L916-V918 VanDerWaalsContact C-N 3.31Å; L916-V918 PolarHBondContact O-N 3.09Å; L916-G920 WeakPolarHBondContact O-CA 3.26Å; L916-G920 PolarHBondContact O-N 3.45Å; L916-R921 PolarHBondContact O-N 3.05Å; L916-Y999 HydrophobicContact CB-CE2 4.23Å; L916-Y999 WeakPolarHBondContact O-CE2 3.31Å |
| 917 | L | 94.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -71.7 | -24.8 | -169.3 | -59.3 | -177 | 0 | 0 | 0 | 113.3 | N694 A698 E913 R921 L993 P996 Y999 | N694-L917 HydrophobicContact CB-CD1 4.37Å; A698-L917 HydrophobicContact CB-CD2 3.82Å; E913-L917 HydrophobicContact CG-CD1 3.76Å; E913-L917 HydrophobicContact CG-CG 4.44Å; E913-L917 VanDerWaalsContact O-CB 3.29Å; E913-L917 WeakPolarHBondContact O-CB 3.26Å; E913-L917 WeakPolarHBondContact O-CG 3.48Å; E913-L917 PolarHBondContact O-N 2.99Å; L917-R921 WeakPolarHBondContact O-CB 3.29Å; L917-R921 PolarHBondContact O-NE 2.87Å; L917-L993 HydrophobicContact CB-CD2 4.23Å; L917-L993 HydrophobicContact CD1-CD2 4.39Å; L917-P996 HydrophobicContact CD1-CB 3.95Å; L917-P996 HydrophobicContact CD1-CG 4.22Å; L917-P996 HydrophobicContact CD2-CB 4.4Å; L917-Y999 HydrophobicContact CD2-CD2 3.92Å; L917-Y999 HydrophobicContact CD2-CG 3.92Å |
| 918 | V | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -102.9 | -69.5 | 177.3 | -175 | 0 | 0 | 0 | 0 | 110.5 | R914 L916 W922 D989 L993 | R914-V918 HydrophobicContact CG-CB 4.27Å; R914-V918 HydrophobicContact CG-CG2 4.11Å; R914-V918 VanDerWaalsContact O-CB 3.31Å; R914-V918 WeakPolarHBondContact O-CB 3.35Å; R914-V918 PolarHBondContact O-N 3.48Å; L916-V918 VanDerWaalsContact C-N 3.31Å; L916-V918 PolarHBondContact O-N 3.09Å; V918-W922 HydrophobicContact CG1-CD2 3.98Å; V918-W922 HydrophobicContact CG1-CE3 3.64Å; V918-W922 HydrophobicContact CG1-CH2 3.76Å; V918-W922 HydrophobicContact CG1-CZ2 4.06Å; V918-W922 HydrophobicContact CG1-CZ3 3.53Å; V918-W922 VanDerWaalsContact O-CB 3.29Å; V918-W922 WeakPolarHBondContact O-CB 3.47Å; V918-W922 VanDerWaalsContact O-CG 3.24Å; V918-W922 PolarHBondContact O-N 3.38Å; V918-D989 HydrophobicContact CG1-CB 3.71Å; V918-D989 HydrophobicContact CG2-CB 4.2Å; V918-L993 HydrophobicContact CG2-CD1 4.42Å; V918-L993 HydrophobicContact CG2-CD2 3.94Å; V918-L993 HydrophobicContact CG2-CG 3.88Å |
| 919 | H | 96 | Very high | 94.6 | Very high | 11 Ų | 11 | 13.3 Ų | 13.3 | 5% | 0.051 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -68.9 | -48.9 | -171.9 | -71.6 | -77.1 | 0 | 0 | 0 | 112.4 | I376 D379 M382 R914 L915 R921 W922 S923 | I376-H919 HydrophobicContact CD1-CB 4.31Å; I376-H919 HydrophobicContact CG1-CB 3.93Å; D379-H919 IonicContact OD2-CD2 3.78Å; D379-H919 IonicContact OD2-CE1 2.7Å; D379-H919 IonicContact OD2-NE2 2.76Å; D379-H919 PolarHBondContact OD2-NE2 2.89Å; M382-H919 VanDerWaalsContact CE-CD2 3.46Å; M382-H919 WeakPolarHBondContact CE-CD2 3.45Å; M382-H919 WeakPolarHBondContact CE-NE2 3.48Å; R914-H919 PolarHBondContact O-N 2.71Å; L915-H919 WeakPolarHBondContact O-CB 3.25Å; H919-R921 PolarHBondContact O-N 3.27Å; H919-W922 PolarHBondContact O-N 3.11Å; H919-S923 VanDerWaalsContact O-CB 3.31Å; H919-S923 WeakPolarHBondContact O-CB 3.41Å; H919-S923 PolarHBondContact O-N 3.42Å; H919-S923 PolarHBondContact O-OG 3.3Å |
| 920 | G | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -59.6 | -47.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L402 G403 L915 L916 W922 S923 Y924 | L402-G920 VanDerWaalsContact CB-CA 3.48Å; G403-G920 VanDerWaalsContact CA-C 3.44Å; G403-G920 VanDerWaalsContact CA-O 3.3Å; G403-G920 WeakPolarHBondContact CA-O 3.45Å; G403-G920 PolarHBondContact N-O 2.96Å; L915-G920 PolarHBondContact O-N 3.45Å; L916-G920 WeakPolarHBondContact O-CA 3.26Å; L916-G920 PolarHBondContact O-N 3.45Å; G920-W922 PolarHBondContact O-N 3.48Å; G920-S923 PolarHBondContact O-N 2.89Å; G920-Y924 WeakPolarHBondContact O-CB 3.41Å; G920-Y924 PolarHBondContact O-N 2.78Å |
| 921 | R | 94.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 9.4 Ų | 9.4 | 6% | 0.057 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.6 | -49.5 | 175.8 | -166.7 | -179.6 | 80.2 | 83.2 | 9.2 | 112.2 | L916 L917 H919 Y925 D986 S992 L998 Y999 | L916-R921 PolarHBondContact O-N 3.05Å; L917-R921 WeakPolarHBondContact O-CB 3.29Å; L917-R921 PolarHBondContact O-NE 2.87Å; H919-R921 PolarHBondContact O-N 3.27Å; R921-Y925 WeakPolarHBondContact O-CB 3.42Å; R921-Y925 PolarHBondContact O-N 3.02Å; R921-D986 IonicContact CZ-OD1 3.38Å; R921-D986 IonicContact CZ-OD2 3.34Å; R921-D986 IonicContact NH1-OD1 3.37Å; R921-D986 PolarHBondContact NH1-OD1 2.82Å; R921-D986 IonicContact NH1-OD2 2.63Å; R921-D986 PolarHBondContact NH1-OD2 3.08Å; R921-D986 IonicContact NH2-OD1 2.71Å; R921-D986 PolarHBondContact NH2-OD1 3.35Å; R921-D986 IonicContact NH2-OD2 3.14Å; R921-S992 PolarHBondContact NE-OG 3.42Å; R921-S992 PolarHBondContact NH2-OG 3.3Å; R921-L998 WeakPolarHBondContact CD-O 3.46Å; R921-Y999 HydrophobicContact CB-CD2 4.25Å |
| 922 | W | 95.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 11.4 Ų | 11.4 | 7% | 0.068 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 178.9 | -75.5 | -16.4 | 0 | 0 | 0 | 112.6 | V918 H919 G920 Y924 Y925 R926 Q985 V987 D989 | V918-W922 HydrophobicContact CG1-CD2 3.98Å; V918-W922 HydrophobicContact CG1-CE3 3.64Å; V918-W922 HydrophobicContact CG1-CH2 3.76Å; V918-W922 HydrophobicContact CG1-CZ2 4.06Å; V918-W922 HydrophobicContact CG1-CZ3 3.53Å; V918-W922 VanDerWaalsContact O-CB 3.29Å; V918-W922 WeakPolarHBondContact O-CB 3.47Å; V918-W922 VanDerWaalsContact O-CG 3.24Å; V918-W922 PolarHBondContact O-N 3.38Å; H919-W922 PolarHBondContact O-N 3.11Å; G920-W922 PolarHBondContact O-N 3.48Å; W922-Y924 PolarHBondContact O-N 3.12Å; W922-Y925 PolarHBondContact O-N 2.97Å; W922-R926 VanDerWaalsContact O-CB 3.26Å; W922-R926 WeakPolarHBondContact O-CB 3.2Å; W922-R926 WeakPolarHBondContact O-CD 3.14Å; W922-R926 WeakPolarHBondContact O-CG 3.43Å; W922-R926 PolarHBondContact O-N 2.96Å; W922-Q985 HydrophobicContact CZ2-CG 4.19Å; W922-V987 WeakPolarHBondContact CZ2-O 3.48Å; W922-V987 PolarHBondContact NE1-O 3.17Å; W922-D989 HydrophobicContact CH2-CB 3.77Å; W922-D989 HydrophobicContact CZ2-CB 4.11Å |
| 923 | S | 94.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.014 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 177.7 | -77.8 | 0 | 0 | 0 | 0 | 111.6 | H372 N399 H919 G920 M927 | H372-S923 WeakPolarHBondContact ND1-CB 3.41Å; H372-S923 PolarHBondContact ND1-OG 3.32Å; N399-S923 WeakPolarHBondContact O-CB 3.45Å; H919-S923 VanDerWaalsContact O-CB 3.31Å; H919-S923 WeakPolarHBondContact O-CB 3.41Å; H919-S923 PolarHBondContact O-N 3.42Å; H919-S923 PolarHBondContact O-OG 3.3Å; G920-S923 PolarHBondContact O-N 2.89Å; S923-M927 VanDerWaalsContact O-CB 3.27Å; S923-M927 WeakPolarHBondContact O-CB 3.41Å; S923-M927 PolarHBondContact O-N 3.44Å |
| 924 | Y | 94.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 10.5 Ų | 10.5 | 2% | 0.024 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.9 | -51.9 | 174.9 | 179.5 | -104.4 | 0 | 0 | 0 | 112.2 | E400 Q404 G920 W922 R926 M927 C928 N1005 H1007 | E400-Y924 WeakPolarHBondContact O-CB 3.09Å; Q404-Y924 HydrophobicContact CG-CD2 3.67Å; Q404-Y924 HydrophobicContact CG-CE2 3.78Å; Q404-Y924 HydrophobicContact CG-CG 4.31Å; Q404-Y924 VanDerWaalsContact NE2-CE2 3.31Å; G920-Y924 WeakPolarHBondContact O-CB 3.41Å; G920-Y924 PolarHBondContact O-N 2.78Å; W922-Y924 PolarHBondContact O-N 3.12Å; Y924-R926 PolarHBondContact O-N 3.03Å; Y924-M927 PolarHBondContact O-N 2.99Å; Y924-C928 WeakPolarHBondContact CE2-SG 3.18Å; Y924-C928 WeakPolarHBondContact O-CB 3.33Å; Y924-C928 PolarHBondContact O-N 3.43Å; Y924-C928 PolarHBondContact O-SG 3.08Å; Y924-N1005 WeakPolarHBondContact OH-CA 3.27Å; Y924-N1005 PolarHBondContact OH-OD1 3.11Å; Y924-H1007 HydrophobicContact CE1-CB 3.92Å; Y924-H1007 AromaticContact CE1-CD2 3.87Å |
| 925 | Y | 93.7 | Very high | 94.3 | Very high | 39 Ų | 39 | 9 Ų | 9 | 15% | 0.153 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | -179.1 | 173.3 | -98.4 | 0 | 0 | 0 | 112.3 | R921 W922 M927 C928 K929 D986 H1007 | R921-Y925 WeakPolarHBondContact O-CB 3.42Å; R921-Y925 PolarHBondContact O-N 3.02Å; W922-Y925 PolarHBondContact O-N 2.97Å; Y925-M927 PolarHBondContact O-N 2.92Å; Y925-C928 PolarHBondContact O-N 2.87Å; Y925-K929 HydrophobicContact CE1-CD 4.33Å; Y925-K929 WeakPolarHBondContact O-CB 3.41Å; Y925-K929 PolarHBondContact O-N 2.84Å; Y925-K929 PolarHBondContact OH-NZ 3.32Å; Y925-D986 HydrophobicContact CD1-CB 4.46Å; Y925-D986 HydrophobicContact CE1-CB 3.95Å; Y925-D986 HydrophobicContact CE2-CB 4.35Å; Y925-H1007 AromaticContact CD2-CE1 3.86Å |
| 926 | R | 95.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 9.6 Ų | 9.6 | 2% | 0.019 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 178.4 | -72.6 | 168.4 | -172.1 | 161.3 | 5.9 | 111.8 | W922 Y924 K929 F930 G981 I982 D984 | W922-R926 VanDerWaalsContact O-CB 3.26Å; W922-R926 WeakPolarHBondContact O-CB 3.2Å; W922-R926 WeakPolarHBondContact O-CD 3.14Å; W922-R926 WeakPolarHBondContact O-CG 3.43Å; W922-R926 PolarHBondContact O-N 2.96Å; Y924-R926 PolarHBondContact O-N 3.03Å; R926-K929 PolarHBondContact O-N 2.95Å; R926-F930 VanDerWaalsContact O-CB 3.26Å; R926-F930 WeakPolarHBondContact O-CB 3.37Å; R926-F930 PolarHBondContact O-N 3.44Å; R926-G981 WeakPolarHBondContact CB-O 3.32Å; R926-G981 WeakPolarHBondContact CD-O 3.4Å; R926-I982 PolarHBondContact NE-O 3.17Å; R926-I982 PolarHBondContact NH1-O 2.66Å; R926-D984 PolarHBondContact NE-O 3.46Å; R926-D984 PolarHBondContact NH2-O 2.81Å |
| 927 | M | 94 | Very high | 94 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 179.2 | -172.2 | 61.2 | 72.8 | 0 | 0 | 111.2 | L281 V365 I368 R369 E400 S923 Y924 Y925 K929 F930 L931 | L281-M927 HydrophobicContact CD1-CG 3.73Å; V365-M927 HydrophobicContact CG1-CE 3.94Å; V365-M927 HydrophobicContact CG1-SD 4.18Å; V365-M927 HydrophobicContact CG2-SD 4.07Å; I368-M927 HydrophobicContact CB-CE 4.29Å; I368-M927 HydrophobicContact CG2-CE 3.85Å; R369-M927 HydrophobicContact CG-CE 4.04Å; E400-M927 HydrophobicContact CB-CB 4.22Å; E400-M927 HydrophobicContact CB-CG 4.48Å; S923-M927 VanDerWaalsContact O-CB 3.27Å; S923-M927 WeakPolarHBondContact O-CB 3.41Å; S923-M927 PolarHBondContact O-N 3.44Å; Y924-M927 PolarHBondContact O-N 2.99Å; Y925-M927 PolarHBondContact O-N 2.92Å; M927-K929 PolarHBondContact O-N 3.24Å; M927-F930 PolarHBondContact O-N 2.77Å; M927-F930 HydrophobicContact SD-CD1 3.85Å; M927-F930 HydrophobicContact SD-CE1 4.37Å; M927-L931 HydrophobicContact CG-CD1 4.24Å; M927-L931 VanDerWaalsContact O-CG 3.29Å; M927-L931 WeakPolarHBondContact O-CG 3.5Å; M927-L931 PolarHBondContact O-N 2.92Å |
| 928 | C | 93.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.014 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 177.5 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | Y924 Y925 L931 Q932 H1007 F1008 | Y924-C928 WeakPolarHBondContact CE2-SG 3.18Å; Y924-C928 WeakPolarHBondContact O-CB 3.33Å; Y924-C928 PolarHBondContact O-N 3.43Å; Y924-C928 PolarHBondContact O-SG 3.08Å; Y925-C928 PolarHBondContact O-N 2.87Å; C928-L931 PolarHBondContact O-N 3.27Å; C928-Q932 WeakPolarHBondContact O-CB 3.44Å; C928-Q932 PolarHBondContact O-N 2.94Å; C928-H1007 HydrophobicContact CB-CB 3.8Å; C928-F1008 HydrophobicContact CB-CB 3.79Å; C928-F1008 VanDerWaalsContact SG-CB 3.5Å |
| 929 | K | 92.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 9.8 Ų | 9.8 | 10% | 0.104 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | 179.6 | -163.8 | -179.5 | -176.3 | 162.4 | 0 | 112.4 | Y925 R926 M927 Q932 Y933 M980 D984 D1072 | Y925-K929 HydrophobicContact CE1-CD 4.33Å; Y925-K929 WeakPolarHBondContact O-CB 3.41Å; Y925-K929 PolarHBondContact O-N 2.84Å; Y925-K929 PolarHBondContact OH-NZ 3.32Å; R926-K929 PolarHBondContact O-N 2.95Å; M927-K929 PolarHBondContact O-N 3.24Å; K929-Q932 PolarHBondContact O-N 3.08Å; K929-Y933 WeakPolarHBondContact O-CB 3.34Å; K929-Y933 PolarHBondContact O-N 3.42Å; K929-Y933 VanDerWaalsContact O-N 3.08Å; K929-M980 HydrophobicContact CB-SD 4.04Å; K929-M980 HydrophobicContact CD-CG 4.36Å; K929-M980 HydrophobicContact CD-SD 3.82Å; K929-M980 HydrophobicContact CG-CE 4.39Å; K929-M980 HydrophobicContact CG-SD 3.6Å; K929-M980 VanDerWaalsContact CG-SD 3.6Å; K929-D984 WeakPolarHBondContact CD-OD2 3.45Å; K929-D984 WeakPolarHBondContact CE-OD2 3.35Å; K929-D984 IonicContact NZ-OD2 3.65Å; K929-D984 PolarHBondContact NZ-OD2 3.38Å; K929-D1072 WeakPolarHBondContact CE-O 3.3Å; K929-D1072 PolarHBondContact NZ-O 3.07Å |
| 930 | F | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -54.9 | -52.2 | 171.4 | 158.3 | -94.7 | 0 | 0 | 0 | 110.7 | L361 V365 I368 R926 M927 Q932 Y933 F934 V977 | L361-F930 HydrophobicContact CD1-CE1 3.86Å; L361-F930 HydrophobicContact CD1-CZ 3.99Å; V365-F930 HydrophobicContact CG2-CD1 4.38Å; V365-F930 HydrophobicContact CG2-CE1 3.5Å; V365-F930 HydrophobicContact CG2-CZ 4.17Å; I368-F930 HydrophobicContact CD1-CB 4.28Å; I368-F930 HydrophobicContact CD1-CD1 3.98Å; I368-F930 HydrophobicContact CD1-CD2 3.43Å; I368-F930 VanDerWaalsContact CD1-CD2 3.43Å; I368-F930 HydrophobicContact CD1-CE1 4.25Å; I368-F930 HydrophobicContact CD1-CE2 3.7Å; I368-F930 HydrophobicContact CD1-CG 3.6Å; I368-F930 HydrophobicContact CD1-CZ 4.14Å; R926-F930 VanDerWaalsContact O-CB 3.26Å; R926-F930 WeakPolarHBondContact O-CB 3.37Å; R926-F930 PolarHBondContact O-N 3.44Å; M927-F930 PolarHBondContact O-N 2.77Å; M927-F930 HydrophobicContact SD-CD1 3.85Å; M927-F930 HydrophobicContact SD-CE1 4.37Å; F930-Q932 PolarHBondContact O-N 2.83Å; F930-Y933 PolarHBondContact O-N 3.48Å; F930-F934 HydrophobicContact CE2-CB 4.38Å; F930-F934 AromaticContact CE2-CD2 3.75Å; F930-F934 HydrophobicContact CE2-CD2 3.75Å; F930-F934 HydrophobicContact CE2-CE2 4.44Å; F930-F934 HydrophobicContact CE2-CG 4.33Å; F930-F934 HydrophobicContact CZ-CB 4.32Å; F930-F934 AromaticContact CZ-CD2 3.81Å; F930-F934 HydrophobicContact CZ-CD2 3.81Å; F930-F934 HydrophobicContact CZ-CE2 4.36Å; F930-F934 HydrophobicContact CZ-CG 4.12Å; F930-F934 WeakPolarHBondContact O-CB 3.34Å; F930-F934 PolarHBondContact O-N 3.45Å; F930-V977 HydrophobicContact CD2-CG1 3.42Å; F930-V977 VanDerWaalsContact CD2-CG1 3.42Å; F930-V977 HydrophobicContact CE2-CG1 3.53Å |
| 931 | L | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | -179.2 | -70.2 | 170.6 | 0 | 0 | 0 | 112.1 | L281 L361 V365 M927 C928 Y933 F934 F935 F1008 | L281-L931 HydrophobicContact CD1-CD1 3.69Å; L281-L931 HydrophobicContact CD2-CD1 3.48Å; L281-L931 VanDerWaalsContact CD2-CD1 3.48Å; L281-L931 HydrophobicContact CG-CD1 3.94Å; L361-L931 HydrophobicContact CD1-CD2 3.73Å; V365-L931 HydrophobicContact CG2-CD2 4.39Å; M927-L931 HydrophobicContact CG-CD1 4.24Å; M927-L931 VanDerWaalsContact O-CG 3.29Å; M927-L931 WeakPolarHBondContact O-CG 3.5Å; M927-L931 PolarHBondContact O-N 2.92Å; C928-L931 PolarHBondContact O-N 3.27Å; L931-Y933 VanDerWaalsContact C-N 3.33Å; L931-Y933 PolarHBondContact O-N 3.33Å; L931-F934 PolarHBondContact O-N 2.98Å; L931-F935 WeakPolarHBondContact O-CD2 3.26Å; L931-F935 PolarHBondContact O-N 3.43Å; L931-F1008 HydrophobicContact CB-CD2 4.3Å; L931-F1008 HydrophobicContact CB-CE1 4.35Å; L931-F1008 HydrophobicContact CB-CE2 3.8Å; L931-F1008 HydrophobicContact CB-CZ 3.84Å; L931-F1008 HydrophobicContact CD1-CD1 4.22Å; L931-F1008 HydrophobicContact CD1-CE1 4.01Å; L931-F1008 HydrophobicContact CD1-CZ 4.33Å |
| 932 | Q | 92.6 | Very high | 93.4 | Very high | 54 Ų | 54 | 8.6 Ų | 8.6 | 25% | 0.252 | 4% | 0.037 | S | C | . | . | H | α-helix | trans | -55.8 | -49 | 179.2 | -174.6 | -175 | -0.2 | 0 | 0 | 111.5 | C928 K929 F930 Y936 V1012 S1016 | C928-Q932 WeakPolarHBondContact O-CB 3.44Å; C928-Q932 PolarHBondContact O-N 2.94Å; K929-Q932 PolarHBondContact O-N 3.08Å; F930-Q932 PolarHBondContact O-N 2.83Å; Q932-Y936 PolarHBondContact O-N 2.87Å; Q932-V1012 HydrophobicContact CG-CG1 3.96Å; Q932-S1016 WeakPolarHBondContact CG-OG 3.42Å; Q932-S1016 PolarHBondContact O-OG 2.85Å; Q932-S1016 VanDerWaalsContact O-OG 3.09Å |
| 933 | Y | 93.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 7.9 Ų | 7.9 | 2% | 0.024 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -71 | -39.6 | 179.3 | 179.6 | -87.5 | 0 | 0 | 0 | 112.2 | K929 F930 L931 F935 Y936 K937 V977 M980 V1065 Q1068 I1069 | K929-Y933 WeakPolarHBondContact O-CB 3.34Å; K929-Y933 PolarHBondContact O-N 3.42Å; K929-Y933 VanDerWaalsContact O-N 3.08Å; F930-Y933 PolarHBondContact O-N 3.48Å; L931-Y933 VanDerWaalsContact C-N 3.33Å; L931-Y933 PolarHBondContact O-N 3.33Å; Y933-F935 VanDerWaalsContact C-N 3.34Å; Y933-F935 PolarHBondContact O-N 3.36Å; Y933-Y936 HydrophobicContact CD2-CD1 4.39Å; Y933-Y936 HydrophobicContact CE2-CD1 4.38Å; Y933-Y936 WeakPolarHBondContact O-CB 3.39Å; Y933-Y936 PolarHBondContact O-N 2.83Å; Y933-K937 HydrophobicContact CD1-CD 4.06Å; Y933-K937 HydrophobicContact CE1-CB 4.12Å; Y933-K937 HydrophobicContact CE1-CD 3.65Å; Y933-K937 HydrophobicContact CE1-CG 4.42Å; Y933-K937 PolarHBondContact O-N 3.41Å; Y933-V977 HydrophobicContact CD1-CG1 4.14Å; Y933-V977 HydrophobicContact CD1-CG2 3.62Å; Y933-V977 HydrophobicContact CE1-CG2 3.29Å; Y933-M980 HydrophobicContact CD1-CE 4.29Å; Y933-M980 HydrophobicContact CD2-CE 4.19Å; Y933-M980 HydrophobicContact CG-CE 3.78Å; Y933-V1065 HydrophobicContact CE1-CG1 4.39Å; Y933-V1065 WeakPolarHBondContact OH-CG1 3.37Å; Y933-V1065 PolarHBondContact OH-O 3.03Å; Y933-Q1068 HydrophobicContact CD2-CG 4.44Å; Y933-Q1068 HydrophobicContact CE2-CB 4.13Å; Y933-Q1068 HydrophobicContact CE2-CG 4.02Å; Y933-I1069 HydrophobicContact CD1-CD1 4.26Å; Y933-I1069 HydrophobicContact CD2-CB 4.38Å; Y933-I1069 HydrophobicContact CE1-CB 4.36Å; Y933-I1069 HydrophobicContact CE1-CD1 3.94Å; Y933-I1069 HydrophobicContact CE2-CB 3.61Å; Y933-I1069 HydrophobicContact CE2-CD1 4.49Å; Y933-I1069 HydrophobicContact CE2-CG1 4.35Å; Y933-I1069 WeakPolarHBondContact OH-CB 3.13Å |
| 934 | F | 93.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 1% | 0.013 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | -178.1 | -168 | -82.5 | 0 | 0 | 0 | 111.9 | P358 S360 L361 F930 L931 K937 N938 V977 | P358-F934 HydrophobicContact CB-CE1 3.52Å; P358-F934 HydrophobicContact CB-CZ 3.85Å; P358-F934 HydrophobicContact CG-CD1 4.05Å; P358-F934 HydrophobicContact CG-CE1 3.26Å; P358-F934 HydrophobicContact CG-CZ 4.11Å; S360-F934 WeakPolarHBondContact OG-CZ 3.45Å; L361-F934 VanDerWaalsContact CA-CZ 3.49Å; L361-F934 HydrophobicContact CB-CD1 4.3Å; L361-F934 HydrophobicContact CB-CE1 3.54Å; L361-F934 HydrophobicContact CB-CZ 3.96Å; L361-F934 HydrophobicContact CD1-CD1 3.54Å; L361-F934 HydrophobicContact CD1-CE1 3.67Å; L361-F934 HydrophobicContact CD1-CG 4.08Å; L361-F934 HydrophobicContact CD1-CZ 4.37Å; L361-F934 HydrophobicContact CG-CD1 4.37Å; L361-F934 HydrophobicContact CG-CE1 4.09Å; F930-F934 HydrophobicContact CE2-CB 4.38Å; F930-F934 AromaticContact CE2-CD2 3.75Å; F930-F934 HydrophobicContact CE2-CD2 3.75Å; F930-F934 HydrophobicContact CE2-CE2 4.44Å; F930-F934 HydrophobicContact CE2-CG 4.33Å; F930-F934 HydrophobicContact CZ-CB 4.32Å; F930-F934 AromaticContact CZ-CD2 3.81Å; F930-F934 HydrophobicContact CZ-CD2 3.81Å; F930-F934 HydrophobicContact CZ-CE2 4.36Å; F930-F934 HydrophobicContact CZ-CG 4.12Å; F930-F934 WeakPolarHBondContact O-CB 3.34Å; F930-F934 PolarHBondContact O-N 3.45Å; L931-F934 PolarHBondContact O-N 2.98Å; F934-K937 WeakPolarHBondContact O-CG 3.33Å; F934-N938 WeakPolarHBondContact CD1-ND2 3.4Å; F934-N938 VanDerWaalsContact CE1-ND2 3.26Å; F934-N938 WeakPolarHBondContact CE1-ND2 3.47Å; F934-N938 PolarHBondContact O-N 3.5Å; F934-N938 PolarHBondContact O-ND2 2.96Å; F934-V977 HydrophobicContact CD2-CG1 3.97Å |
| 935 | F | 92 | Very high | 93 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 0% | 0.004 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.7 | -48.5 | 170.9 | -75.6 | -62.6 | 0 | 0 | 0 | 111.6 | L285 L288 I292 L361 L931 Y933 K937 N938 F939 F1008 F1013 | L285-F935 HydrophobicContact CD1-CE2 4.1Å; L285-F935 HydrophobicContact CD1-CZ 3.62Å; L288-F935 HydrophobicContact CD1-CE2 4.22Å; I292-F935 HydrophobicContact CD1-CD1 3.96Å; I292-F935 HydrophobicContact CD1-CE1 3.48Å; I292-F935 VanDerWaalsContact CD1-CE1 3.48Å; I292-F935 HydrophobicContact CD1-CZ 4.31Å; L361-F935 HydrophobicContact CD2-CE1 4.34Å; L361-F935 HydrophobicContact CD2-CZ 4.02Å; L931-F935 WeakPolarHBondContact O-CD2 3.26Å; L931-F935 PolarHBondContact O-N 3.43Å; Y933-F935 VanDerWaalsContact C-N 3.34Å; Y933-F935 PolarHBondContact O-N 3.36Å; F935-K937 VanDerWaalsContact C-N 3.35Å; F935-K937 PolarHBondContact O-N 3.05Å; F935-N938 PolarHBondContact O-N 3.2Å; F935-N938 VanDerWaalsContact O-N 3.12Å; F935-F939 HydrophobicContact CB-CD2 4.45Å; F935-F939 HydrophobicContact CD1-CE2 4.41Å; F935-F939 VanDerWaalsContact O-CD2 3.28Å; F935-F939 WeakPolarHBondContact O-CD2 3.4Å; F935-F939 PolarHBondContact O-N 2.88Å; F935-F1008 HydrophobicContact CD2-CZ 4.2Å; F935-F1008 HydrophobicContact CE2-CZ 4.07Å; F935-F1013 HydrophobicContact CB-CE2 4.28Å; F935-F1013 AromaticContact CD1-CE2 3.94Å; F935-F1013 HydrophobicContact CD1-CE2 3.94Å; F935-F1013 AromaticContact CD2-CD2 3.93Å; F935-F1013 HydrophobicContact CD2-CD2 3.93Å; F935-F1013 AromaticContact CD2-CE2 3.94Å; F935-F1013 HydrophobicContact CD2-CE2 3.94Å; F935-F1013 HydrophobicContact CE1-CE2 4.24Å; F935-F1013 HydrophobicContact CE2-CD2 4.31Å; F935-F1013 HydrophobicContact CE2-CE2 4.24Å; F935-F1013 HydrophobicContact CG-CD2 4.15Å; F935-F1013 AromaticContact CG-CE2 3.79Å; F935-F1013 HydrophobicContact CG-CE2 3.79Å; F935-F1013 HydrophobicContact CZ-CE2 4.37Å |
| 936 | Y | 93.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 6.4 Ų | 6.4 | 6% | 0.059 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -50 | -52 | 177.6 | 162.7 | -101.5 | 0 | 0 | 0 | 112.6 | Q932 Y933 N938 F939 A940 C1019 T1023 Q1068 | Q932-Y936 PolarHBondContact O-N 2.87Å; Y933-Y936 HydrophobicContact CD2-CD1 4.39Å; Y933-Y936 HydrophobicContact CE2-CD1 4.38Å; Y933-Y936 WeakPolarHBondContact O-CB 3.39Å; Y933-Y936 PolarHBondContact O-N 2.83Å; Y936-N938 VanDerWaalsContact C-N 3.29Å; Y936-N938 PolarHBondContact O-N 3.18Å; Y936-F939 PolarHBondContact O-N 3.26Å; Y936-A940 WeakPolarHBondContact O-CB 3.23Å; Y936-A940 PolarHBondContact O-N 2.99Å; Y936-C1019 HydrophobicContact CD2-CB 3.93Å; Y936-C1019 HydrophobicContact CE2-CB 4.08Å; Y936-T1023 HydrophobicContact CE2-CG2 4.31Å; Y936-T1023 WeakPolarHBondContact CE2-OG1 3.37Å; Y936-T1023 WeakPolarHBondContact OH-CG2 3.43Å; Y936-T1023 PolarHBondContact OH-OG1 2.98Å; Y936-T1023 VanDerWaalsContact OH-OG1 3.05Å; Y936-Q1068 HydrophobicContact CD1-CG 4.39Å; Y936-Q1068 HydrophobicContact CE1-CB 4.2Å; Y936-Q1068 HydrophobicContact CE1-CG 3.76Å |
| 937 | K | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.3 | -32.2 | -177.2 | 85.2 | -171.1 | -175.5 | 76.1 | 0 | 112.8 | Y933 F934 F935 F941 Y968 N969 T973 V977 V1065 | Y933-K937 HydrophobicContact CD1-CD 4.06Å; Y933-K937 HydrophobicContact CE1-CB 4.12Å; Y933-K937 HydrophobicContact CE1-CD 3.65Å; Y933-K937 HydrophobicContact CE1-CG 4.42Å; Y933-K937 PolarHBondContact O-N 3.41Å; F934-K937 WeakPolarHBondContact O-CG 3.33Å; F935-K937 VanDerWaalsContact C-N 3.35Å; F935-K937 PolarHBondContact O-N 3.05Å; K937-F941 WeakPolarHBondContact O-CB 3.28Å; K937-F941 PolarHBondContact O-N 3.12Å; K937-Y968 PolarHBondContact O-OH 3.43Å; K937-N969 PolarHBondContact NZ-OD1 3.31Å; K937-T973 PolarHBondContact NZ-OG1 2.91Å; K937-V977 HydrophobicContact CD-CG2 4.02Å; K937-V1065 HydrophobicContact CB-CG1 3.94Å; K937-V1065 HydrophobicContact CB-CG2 4.49Å |
| 938 | N | 92.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -75 | -43.9 | 178.9 | -81.8 | -73.7 | 0 | 0 | 0 | 110.4 | P358 F934 F935 Y936 A940 F941 T942 N969 | P358-N938 HydrophobicContact CG-CB 4.47Å; F934-N938 WeakPolarHBondContact CD1-ND2 3.4Å; F934-N938 VanDerWaalsContact CE1-ND2 3.26Å; F934-N938 WeakPolarHBondContact CE1-ND2 3.47Å; F934-N938 PolarHBondContact O-N 3.5Å; F934-N938 PolarHBondContact O-ND2 2.96Å; F935-N938 PolarHBondContact O-N 3.2Å; F935-N938 VanDerWaalsContact O-N 3.12Å; Y936-N938 VanDerWaalsContact C-N 3.29Å; Y936-N938 PolarHBondContact O-N 3.18Å; N938-A940 PolarHBondContact O-N 3.26Å; N938-F941 PolarHBondContact O-N 2.98Å; N938-T942 WeakPolarHBondContact O-CB 3.42Å; N938-T942 VanDerWaalsContact O-CG2 3.22Å; N938-T942 WeakPolarHBondContact O-CG2 3.44Å; N938-T942 PolarHBondContact O-N 2.93Å; N938-T942 PolarHBondContact O-OG1 3.35Å; N938-N969 PolarHBondContact OD1-ND2 3.39Å; N938-N969 PolarHBondContact OD1-OD1 3.4Å |
| 939 | F | 93.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 8.5 Ų | 8.5 | 2% | 0.018 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 174 | -81.5 | -75.9 | 0 | 0 | 0 | 112.7 | I292 F295 V356 F935 Y936 F941 L943 F1013 V1017 | I292-F939 HydrophobicContact CG1-CZ 4.23Å; F295-F939 HydrophobicContact CD1-CE1 4.4Å; F295-F939 HydrophobicContact CE1-CE1 4.25Å; V356-F939 HydrophobicContact CG1-CD1 4.35Å; V356-F939 HydrophobicContact CG1-CE1 3.73Å; V356-F939 HydrophobicContact CG1-CZ 3.91Å; F935-F939 HydrophobicContact CB-CD2 4.45Å; F935-F939 HydrophobicContact CD1-CE2 4.41Å; F935-F939 VanDerWaalsContact O-CD2 3.28Å; F935-F939 WeakPolarHBondContact O-CD2 3.4Å; F935-F939 PolarHBondContact O-N 2.88Å; Y936-F939 PolarHBondContact O-N 3.26Å; F939-F941 VanDerWaalsContact C-N 3.26Å; F939-F941 PolarHBondContact O-N 3.44Å; F939-L943 HydrophobicContact CB-CD1 4.29Å; F939-L943 HydrophobicContact CD1-CD1 4Å; F939-L943 HydrophobicContact CD1-CG 4.32Å; F939-L943 VanDerWaalsContact O-CB 3.31Å; F939-L943 WeakPolarHBondContact O-CB 3.22Å; F939-L943 WeakPolarHBondContact O-CG 3.26Å; F939-L943 PolarHBondContact O-N 3.34Å; F939-L943 VanDerWaalsContact O-N 3.15Å; F939-F1013 HydrophobicContact CE2-CZ 4.49Å; F939-V1017 HydrophobicContact CD1-CG1 4.27Å; F939-V1017 HydrophobicContact CD2-CG2 4.01Å; F939-V1017 HydrophobicContact CE1-CG1 4.09Å; F939-V1017 HydrophobicContact CE2-CG1 4.45Å; F939-V1017 HydrophobicContact CE2-CG2 3.61Å; F939-V1017 HydrophobicContact CZ-CG1 4.19Å; F939-V1017 HydrophobicContact CZ-CG2 3.93Å |
| 940 | A | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.4 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y936 N938 G1020 T1023 S1024 L1061 | Y936-A940 WeakPolarHBondContact O-CB 3.23Å; Y936-A940 PolarHBondContact O-N 2.99Å; N938-A940 PolarHBondContact O-N 3.26Å; A940-G1020 WeakPolarHBondContact CA-O 3.48Å; A940-T1023 HydrophobicContact CB-CG2 3.65Å; A940-S1024 WeakPolarHBondContact O-CB 3.35Å; A940-L1061 HydrophobicContact CB-CD1 4.19Å |
| 941 | F | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -77.4 | -49.7 | 178.6 | 167.7 | -111.4 | 0 | 0 | 0 | 112.7 | T355 K937 N938 F939 A944 Y960 I965 Y968 F1058 L1061 | T355-F941 HydrophobicContact CG2-CE1 4.05Å; K937-F941 WeakPolarHBondContact O-CB 3.28Å; K937-F941 PolarHBondContact O-N 3.12Å; N938-F941 PolarHBondContact O-N 2.98Å; F939-F941 VanDerWaalsContact C-N 3.26Å; F939-F941 PolarHBondContact O-N 3.44Å; F941-A944 WeakPolarHBondContact O-CB 3.41Å; F941-Y960 AromaticContact CD2-CD2 3.93Å; F941-Y960 HydrophobicContact CD2-CD2 3.93Å; F941-Y960 AromaticContact CD2-CE2 3.55Å; F941-Y960 HydrophobicContact CD2-CE2 3.55Å; F941-Y960 AromaticContact CE2-CD2 3.33Å; F941-Y960 HydrophobicContact CE2-CD2 3.33Å; F941-Y960 AromaticContact CE2-CE2 3.48Å; F941-Y960 HydrophobicContact CE2-CE2 3.48Å; F941-Y960 VanDerWaalsContact CE2-CE2 3.48Å; F941-Y960 HydrophobicContact CE2-CG 4.31Å; F941-Y960 HydrophobicContact CZ-CD2 4.1Å; F941-Y960 HydrophobicContact CZ-CE2 4.48Å; F941-I965 HydrophobicContact CZ-CB 4.21Å; F941-I965 HydrophobicContact CZ-CG1 4.07Å; F941-I965 HydrophobicContact CZ-CG2 4.05Å; F941-Y968 HydrophobicContact CB-CD1 4.17Å; F941-Y968 HydrophobicContact CB-CE1 3.51Å; F941-Y968 AromaticContact CD1-CD1 3.72Å; F941-Y968 HydrophobicContact CD1-CD1 3.72Å; F941-Y968 AromaticContact CD1-CE1 3.85Å; F941-Y968 HydrophobicContact CD1-CE1 3.85Å; F941-Y968 HydrophobicContact CD2-CD1 4.03Å; F941-Y968 HydrophobicContact CD2-CD2 4.42Å; F941-Y968 HydrophobicContact CD2-CE1 4.18Å; F941-Y968 HydrophobicContact CD2-CG 4.16Å; F941-Y968 HydrophobicContact CE1-CD1 4.09Å; F941-Y968 HydrophobicContact CE2-CD1 4.34Å; F941-Y968 HydrophobicContact CE2-CG 4.27Å; F941-Y968 AromaticContact CG-CD1 3.69Å; F941-Y968 HydrophobicContact CG-CD1 3.69Å; F941-Y968 AromaticContact CG-CE1 3.57Å; F941-Y968 HydrophobicContact CG-CE1 3.57Å; F941-Y968 HydrophobicContact CG-CG 4.29Å; F941-Y968 HydrophobicContact CZ-CD1 4.38Å; F941-F1058 HydrophobicContact CE2-CE2 4.05Å; F941-L1061 HydrophobicContact CB-CD1 4.46Å; F941-L1061 HydrophobicContact CB-CD2 3.93Å; F941-L1061 HydrophobicContact CD2-CD2 3.5Å; F941-L1061 VanDerWaalsContact CD2-CD2 3.5Å; F941-L1061 HydrophobicContact CE2-CD2 4.49Å; F941-L1061 HydrophobicContact CG-CD2 4.17Å |
| 942 | T | 91.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.9 | -39.8 | -170.7 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | T355 V356 N938 A944 H945 | T355-T942 WeakPolarHBondContact OG1-CG2 3.19Å; V356-T942 HydrophobicContact CB-CG2 4.35Å; V356-T942 HydrophobicContact CG2-CG2 3.76Å; V356-T942 WeakPolarHBondContact CG2-OG1 3.32Å; V356-T942 VanDerWaalsContact N-CG2 3.31Å; N938-T942 WeakPolarHBondContact O-CB 3.42Å; N938-T942 VanDerWaalsContact O-CG2 3.22Å; N938-T942 WeakPolarHBondContact O-CG2 3.44Å; N938-T942 PolarHBondContact O-N 2.93Å; N938-T942 PolarHBondContact O-OG1 3.35Å; T942-A944 PolarHBondContact O-N 2.94Å; T942-H945 WeakPolarHBondContact O-CB 3.37Å; T942-H945 PolarHBondContact O-N 2.75Å |
| 943 | L | 92.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69 | -17.2 | -177 | -68.5 | 174 | 0 | 0 | 0 | 112.3 | M299 F939 H945 F946 W947 F1021 S1024 | M299-L943 HydrophobicContact SD-CD2 4.23Å; F939-L943 HydrophobicContact CB-CD1 4.29Å; F939-L943 HydrophobicContact CD1-CD1 4Å; F939-L943 HydrophobicContact CD1-CG 4.32Å; F939-L943 VanDerWaalsContact O-CB 3.31Å; F939-L943 WeakPolarHBondContact O-CB 3.22Å; F939-L943 WeakPolarHBondContact O-CG 3.26Å; F939-L943 PolarHBondContact O-N 3.34Å; F939-L943 VanDerWaalsContact O-N 3.15Å; L943-H945 PolarHBondContact O-N 3.39Å; L943-F946 HydrophobicContact CD2-CB 4.4Å; L943-F946 WeakPolarHBondContact O-CA 3.31Å; L943-F946 WeakPolarHBondContact O-CB 3.41Å; L943-F946 PolarHBondContact O-N 2.8Å; L943-W947 PolarHBondContact O-N 3.22Å; L943-F1021 HydrophobicContact CD1-CB 3.93Å; L943-F1021 HydrophobicContact CD1-CD2 3.66Å; L943-F1021 HydrophobicContact CD1-CG 4.19Å; L943-S1024 WeakPolarHBondContact CB-OG 3.35Å |
| 944 | A | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.9 | -36.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F941 T942 F946 W947 F948 Y960 | F941-A944 WeakPolarHBondContact O-CB 3.41Å; T942-A944 PolarHBondContact O-N 2.94Å; A944-F946 VanDerWaalsContact C-N 3.34Å; A944-W947 PolarHBondContact O-N 3.21Å; A944-F948 WeakPolarHBondContact O-CB 3.27Å; A944-F948 PolarHBondContact O-N 3.4Å; A944-Y960 HydrophobicContact CB-CE2 4.18Å; A944-Y960 VanDerWaalsContact CB-OH 3.3Å; A944-Y960 WeakPolarHBondContact CB-OH 3.3Å |
| 945 | H | 90.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 172.4 | -68.4 | -76.8 | 0 | 0 | 0 | 112.3 | L352 L353 T942 L943 F948 S949 Y960 | L352-H945 HydrophobicContact CD2-CB 4.19Å; L352-H945 HydrophobicContact CG-CB 4.27Å; L353-H945 HydrophobicContact CD2-CB 3.9Å; T942-H945 WeakPolarHBondContact O-CB 3.37Å; T942-H945 PolarHBondContact O-N 2.75Å; L943-H945 PolarHBondContact O-N 3.39Å; H945-F948 PolarHBondContact O-N 2.99Å; H945-S949 PolarHBondContact O-N 3.34Å; H945-Y960 AromaticContact CE1-CD2 3.82Å; H945-Y960 AromaticContact NE2-CD2 3.47Å; H945-Y960 WeakPolarHBondContact NE2-CD2 3.21Å |
| 946 | F | 91.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 6% | 0.057 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 176.3 | 177.5 | -101.2 | 0 | 0 | 0 | 111.2 | M299 L943 A944 F948 S949 F950 | M299-F946 HydrophobicContact CE-CD1 3.91Å; M299-F946 HydrophobicContact CE-CD2 3.76Å; M299-F946 HydrophobicContact CE-CE1 3.47Å; M299-F946 VanDerWaalsContact CE-CE1 3.47Å; M299-F946 HydrophobicContact CE-CE2 3.31Å; M299-F946 HydrophobicContact CE-CG 4.05Å; M299-F946 HydrophobicContact CE-CZ 3.15Å; M299-F946 HydrophobicContact SD-CD1 4.33Å; M299-F946 HydrophobicContact SD-CD2 3.84Å; M299-F946 HydrophobicContact SD-CE1 4.46Å; M299-F946 HydrophobicContact SD-CE2 3.99Å; M299-F946 HydrophobicContact SD-CG 4.03Å; M299-F946 HydrophobicContact SD-CZ 4.31Å; L943-F946 HydrophobicContact CD2-CB 4.4Å; L943-F946 WeakPolarHBondContact O-CA 3.31Å; L943-F946 WeakPolarHBondContact O-CB 3.41Å; L943-F946 PolarHBondContact O-N 2.8Å; A944-F946 VanDerWaalsContact C-N 3.34Å; F946-F948 VanDerWaalsContact C-N 3.31Å; F946-F948 PolarHBondContact O-N 2.98Å; F946-S949 VanDerWaalsContact O-CB 3.3Å; F946-S949 WeakPolarHBondContact O-CB 3.36Å; F946-S949 PolarHBondContact O-N 3.47Å; F946-S949 VanDerWaalsContact O-N 3.13Å; F946-S949 PolarHBondContact O-OG 3.26Å; F946-F950 HydrophobicContact CD1-CE2 4.16Å; F946-F950 AromaticContact CE1-CE2 3.57Å; F946-F950 HydrophobicContact CE1-CE2 3.57Å; F946-F950 AromaticContact CE1-CZ 3.83Å; F946-F950 HydrophobicContact CE1-CZ 3.83Å; F946-F950 HydrophobicContact CE2-CZ 4.44Å; F946-F950 AromaticContact CZ-CE2 3.8Å; F946-F950 HydrophobicContact CZ-CE2 3.8Å; F946-F950 AromaticContact CZ-CZ 3.62Å; F946-F950 HydrophobicContact CZ-CZ 3.62Å |
| 947 | W | 92.2 | Very high | 90.2 | Very high | 37 Ų | 37 | 23.2 Ų | 23.2 | 14% | 0.14 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 175.1 | -62.9 | 121.5 | 0 | 0 | 0 | 112.7 | L943 A944 S949 F950 F951 F1021 S1024 F1028 F1029 | L943-W947 PolarHBondContact O-N 3.22Å; A944-W947 PolarHBondContact O-N 3.21Å; W947-S949 PolarHBondContact O-N 3.36Å; W947-F950 HydrophobicContact CE3-CD2 4.29Å; W947-F950 HydrophobicContact CE3-CE2 4.02Å; W947-F950 HydrophobicContact CZ3-CE2 4.31Å; W947-F950 WeakPolarHBondContact O-CD2 3.43Å; W947-F950 PolarHBondContact O-N 3.33Å; W947-F951 WeakPolarHBondContact O-CD2 3.3Å; W947-F1021 AromaticContact CH2-CE1 3.71Å; W947-F1021 HydrophobicContact CH2-CE1 3.71Å; W947-F1021 HydrophobicContact CH2-CE2 4.06Å; W947-F1021 AromaticContact CH2-CZ 3.31Å; W947-F1021 HydrophobicContact CH2-CZ 3.31Å; W947-F1021 HydrophobicContact CZ2-CD1 4.13Å; W947-F1021 HydrophobicContact CZ2-CD2 4.32Å; W947-F1021 AromaticContact CZ2-CE1 3.52Å; W947-F1021 HydrophobicContact CZ2-CE1 3.52Å; W947-F1021 AromaticContact CZ2-CE2 3.72Å; W947-F1021 HydrophobicContact CZ2-CE2 3.72Å; W947-F1021 AromaticContact CZ2-CZ 3.29Å; W947-F1021 HydrophobicContact CZ2-CZ 3.29Å; W947-S1024 PolarHBondContact NE1-OG 3.09Å; W947-F1028 HydrophobicContact CB-CB 4.12Å; W947-F1028 HydrophobicContact CB-CD1 3.57Å; W947-F1028 HydrophobicContact CB-CD2 4.28Å; W947-F1028 HydrophobicContact CB-CE1 4.07Å; W947-F1028 HydrophobicContact CB-CG 3.7Å; W947-F1028 HydrophobicContact CG-CD1 4.46Å; W947-F1029 HydrophobicContact CD2-CE2 4.06Å; W947-F1029 HydrophobicContact CD2-CZ 4.4Å; W947-F1029 AromaticContact CE3-CE2 3.92Å; W947-F1029 HydrophobicContact CE3-CE2 3.92Å; W947-F1029 AromaticContact CE3-CZ 3.94Å; W947-F1029 HydrophobicContact CE3-CZ 3.94Å; W947-F1029 HydrophobicContact CG-CE2 4.42Å; W947-F1029 HydrophobicContact CZ3-CE2 4.36Å; W947-F1029 HydrophobicContact CZ3-CZ 4.49Å |
| 948 | F | 91.3 | Very high | 89.9 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 6% | 0.057 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.7 | -28.3 | 176.2 | -175.7 | -123.2 | 0 | 0 | 0 | 113.3 | A944 H945 F946 F950 F951 C952 Q957 I959 F1028 L1050 | A944-F948 WeakPolarHBondContact O-CB 3.27Å; A944-F948 PolarHBondContact O-N 3.4Å; H945-F948 PolarHBondContact O-N 2.99Å; F946-F948 VanDerWaalsContact C-N 3.31Å; F946-F948 PolarHBondContact O-N 2.98Å; F948-F950 PolarHBondContact O-N 3.46Å; F948-F950 VanDerWaalsContact O-N 3.15Å; F948-F951 PolarHBondContact O-N 3.5Å; F948-C952 HydrophobicContact CD1-CB 4.35Å; F948-C952 HydrophobicContact CE1-CB 3.86Å; F948-C952 HydrophobicContact CE2-CB 4.34Å; F948-C952 HydrophobicContact CZ-CB 3.84Å; F948-C952 PolarHBondContact O-N 2.94Å; F948-Q957 WeakPolarHBondContact CD1-O 3.35Å; F948-Q957 HydrophobicContact CE1-CB 3.96Å; F948-Q957 HydrophobicContact CE1-CG 4.06Å; F948-Q957 WeakPolarHBondContact CE1-O 3.31Å; F948-I959 HydrophobicContact CB-CB 4.36Å; F948-I959 HydrophobicContact CB-CD1 4.23Å; F948-I959 HydrophobicContact CD1-CB 4.04Å; F948-I959 HydrophobicContact CD2-CD1 4.46Å; F948-I959 HydrophobicContact CG-CB 4.17Å; F948-I959 HydrophobicContact CG-CD1 4.34Å; F948-I959 HydrophobicContact CG-CG1 4.34Å; F948-F1028 HydrophobicContact CB-CD2 4.43Å; F948-F1028 HydrophobicContact CB-CE2 3.7Å; F948-F1028 HydrophobicContact CB-CZ 4.22Å; F948-F1028 AromaticContact CD2-CE2 3.88Å; F948-F1028 HydrophobicContact CD2-CE2 3.88Å; F948-F1028 HydrophobicContact CD2-CZ 4.16Å; F948-F1028 HydrophobicContact CG-CE2 4.24Å; F948-L1050 HydrophobicContact CE1-CD1 4.48Å; F948-L1050 HydrophobicContact CE1-CD2 4.27Å; F948-L1050 HydrophobicContact CE2-CD1 3.67Å; F948-L1050 HydrophobicContact CZ-CD1 3.6Å; F948-L1050 HydrophobicContact CZ-CD2 3.84Å; F948-L1050 HydrophobicContact CZ-CG 4.4Å |
| 949 | S | 90.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.5 | -31.3 | -179.5 | 76.7 | 0 | 0 | 0 | 0 | 113.7 | Y349 H945 F946 W947 F951 Y954 | Y349-S949 WeakPolarHBondContact OH-CB 2.81Å; H945-S949 PolarHBondContact O-N 3.34Å; F946-S949 VanDerWaalsContact O-CB 3.3Å; F946-S949 WeakPolarHBondContact O-CB 3.36Å; F946-S949 PolarHBondContact O-N 3.47Å; F946-S949 VanDerWaalsContact O-N 3.13Å; F946-S949 PolarHBondContact O-OG 3.26Å; W947-S949 PolarHBondContact O-N 3.36Å; S949-F951 PolarHBondContact O-N 3.32Å; S949-Y954 WeakPolarHBondContact O-CD1 3.33Å; S949-Y954 PolarHBondContact O-N 2.95Å; S949-Y954 VanDerWaalsContact O-N 3.13Å |
| 950 | F | 90.1 | Very high | 89.6 | Confident | 83 Ų | 83 | 24.8 Ų | 24.8 | 36% | 0.364 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21.4 | 176.7 | -64.3 | -71.4 | 0 | 0 | 0 | 113.3 | L306 F946 W947 F948 Y954 | L306-F950 HydrophobicContact CD1-CE1 4.3Å; F946-F950 HydrophobicContact CD1-CE2 4.16Å; F946-F950 AromaticContact CE1-CE2 3.57Å; F946-F950 HydrophobicContact CE1-CE2 3.57Å; F946-F950 AromaticContact CE1-CZ 3.83Å; F946-F950 HydrophobicContact CE1-CZ 3.83Å; F946-F950 HydrophobicContact CE2-CZ 4.44Å; F946-F950 AromaticContact CZ-CE2 3.8Å; F946-F950 HydrophobicContact CZ-CE2 3.8Å; F946-F950 AromaticContact CZ-CZ 3.62Å; F946-F950 HydrophobicContact CZ-CZ 3.62Å; W947-F950 HydrophobicContact CE3-CD2 4.29Å; W947-F950 HydrophobicContact CE3-CE2 4.02Å; W947-F950 HydrophobicContact CZ3-CE2 4.31Å; W947-F950 WeakPolarHBondContact O-CD2 3.43Å; W947-F950 PolarHBondContact O-N 3.33Å; F948-F950 PolarHBondContact O-N 3.46Å; F948-F950 VanDerWaalsContact O-N 3.15Å; F950-Y954 AromaticContact CD1-CE1 3.84Å; F950-Y954 HydrophobicContact CD1-CE1 3.84Å; F950-Y954 HydrophobicContact CE1-CE1 4.26Å |
| 951 | F | 87.8 | Confident | 89.1 | Confident | 102 Ų | 102 | 26.6 Ų | 26.6 | 45% | 0.447 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -17.1 | -175.6 | -62.3 | -85.2 | 0 | 0 | 0 | 113.4 | W947 F948 S949 F1028 F1029 F1032 | W947-F951 WeakPolarHBondContact O-CD2 3.3Å; F948-F951 PolarHBondContact O-N 3.5Å; S949-F951 PolarHBondContact O-N 3.32Å; F951-F1028 AromaticContact CD2-CE1 3.67Å; F951-F1028 HydrophobicContact CD2-CE1 3.67Å; F951-F1028 AromaticContact CD2-CZ 3.6Å; F951-F1028 HydrophobicContact CD2-CZ 3.6Å; F951-F1028 AromaticContact CE2-CE1 3.47Å; F951-F1028 HydrophobicContact CE2-CE1 3.47Å; F951-F1028 VanDerWaalsContact CE2-CE1 3.47Å; F951-F1028 AromaticContact CE2-CZ 3.93Å; F951-F1028 HydrophobicContact CE2-CZ 3.93Å; F951-F1028 HydrophobicContact CG-CZ 4.43Å; F951-F1028 HydrophobicContact CZ-CE1 4.38Å; F951-F1029 AromaticContact CE2-CE1 3.83Å; F951-F1029 HydrophobicContact CE2-CE1 3.83Å; F951-F1029 AromaticContact CZ-CE1 3.88Å; F951-F1029 HydrophobicContact CZ-CE1 3.88Å; F951-F1032 HydrophobicContact CB-CZ 4.46Å; F951-F1032 AromaticContact CD1-CE1 3.87Å; F951-F1032 HydrophobicContact CD1-CE1 3.87Å; F951-F1032 AromaticContact CD1-CZ 3.82Å; F951-F1032 HydrophobicContact CD1-CZ 3.82Å; F951-F1032 AromaticContact CE1-CE1 3.87Å; F951-F1032 HydrophobicContact CE1-CE1 3.87Å; F951-F1032 HydrophobicContact CE1-CZ 4.3Å; F951-F1032 HydrophobicContact CG-CE1 4.42Å; F951-F1032 HydrophobicContact CG-CZ 4.13Å; F951-F1032 HydrophobicContact CZ-CE1 4.43Å |
| 952 | C | 85.5 | Confident | 88.4 | Confident | 22 Ų | 22 | 28.6 Ų | 28.6 | 15% | 0.149 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 21 | -177.9 | 70.8 | 0 | 0 | 0 | 0 | 114.4 | F948 Y954 S955 Q957 | F948-C952 HydrophobicContact CD1-CB 4.35Å; F948-C952 HydrophobicContact CE1-CB 3.86Å; F948-C952 HydrophobicContact CE2-CB 4.34Å; F948-C952 HydrophobicContact CZ-CB 3.84Å; F948-C952 PolarHBondContact O-N 2.94Å; C952-Y954 PolarHBondContact O-N 2.89Å; C952-S955 WeakPolarHBondContact O-CB 3.34Å; C952-S955 PolarHBondContact O-N 3.45Å; C952-S955 PolarHBondContact O-OG 2.68Å; C952-Q957 HydrophobicContact CB-CB 4.45Å |
| 953 | G | 83.7 | Confident | 87.9 | Confident | 14 Ų | 14 | 31.7 Ų | 31.7 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 24.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S955 | G953-S955 PolarHBondContact O-N 2.73Š|
| 954 | Y | 88.9 | Confident | 87.7 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 25.7 | -175.3 | -46.8 | -80.9 | 0 | 0 | 0 | 114.9 | L306 W310 M345 Y349 S949 F950 C952 A956 | L306-Y954 HydrophobicContact CB-CD1 3.82Å; L306-Y954 HydrophobicContact CB-CD2 3.92Å; L306-Y954 HydrophobicContact CB-CE1 3.67Å; L306-Y954 HydrophobicContact CB-CE2 3.78Å; L306-Y954 HydrophobicContact CB-CG 3.94Å; L306-Y954 HydrophobicContact CD1-CD1 4.27Å; L306-Y954 HydrophobicContact CD1-CE1 3.52Å; L306-Y954 HydrophobicContact CG-CE1 4.2Å; W310-Y954 HydrophobicContact CB-CD2 4.15Å; W310-Y954 HydrophobicContact CB-CE2 4.46Å; M345-Y954 WeakPolarHBondContact CE-O 3.38Å; Y349-Y954 VanDerWaalsContact CE2-O 3.23Å; Y349-Y954 WeakPolarHBondContact CE2-O 3.27Å; Y349-Y954 WeakPolarHBondContact OH-CA 3.49Å; Y349-Y954 PolarHBondContact OH-O 2.65Å; S949-Y954 WeakPolarHBondContact O-CD1 3.33Å; S949-Y954 PolarHBondContact O-N 2.95Å; S949-Y954 VanDerWaalsContact O-N 3.13Å; F950-Y954 AromaticContact CD1-CE1 3.84Å; F950-Y954 HydrophobicContact CD1-CE1 3.84Å; F950-Y954 HydrophobicContact CE1-CE1 4.26Å; C952-Y954 PolarHBondContact O-N 2.89Å; Y954-A956 PolarHBondContact O-N 3.37Å; Y954-A956 VanDerWaalsContact O-N 3.15Å |
| 955 | S | 86 | Confident | 87.3 | Confident | 59 Ų | 59 | 32 Ų | 32 | 41% | 0.413 | 17% | 0.166 | S | C | . | . | trans | -73.5 | 4.8 | -179.2 | 59.5 | 0 | 0 | 0 | 0 | 115.9 | M345 C952 G953 Q957 | M345-S955 VanDerWaalsContact CE-O 3.27Å; M345-S955 WeakPolarHBondContact CE-O 3.49Å; C952-S955 WeakPolarHBondContact O-CB 3.34Å; C952-S955 PolarHBondContact O-N 3.45Å; C952-S955 PolarHBondContact O-OG 2.68Å; G953-S955 PolarHBondContact O-N 2.73Å; S955-Q957 PolarHBondContact O-N 2.91Å; S955-Q957 VanDerWaalsContact O-N 3.16Å | ||
| 956 | A | 87.2 | Confident | 86.9 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | trans | 54.2 | 27.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M345 Y349 L352 Y954 | M345-A956 HydrophobicContact CE-CB 3.47Å; M345-A956 VanDerWaalsContact CE-CB 3.47Å; Y349-A956 HydrophobicContact CD1-CB 4.09Å; Y349-A956 HydrophobicContact CD2-CB 4.12Å; Y349-A956 HydrophobicContact CE1-CB 3.88Å; Y349-A956 HydrophobicContact CE2-CB 3.88Å; Y349-A956 HydrophobicContact CG-CB 4.19Å; Y349-A956 PolarHBondContact OH-N 3.09Å; Y349-A956 VanDerWaalsContact OH-N 3.17Å; L352-A956 HydrophobicContact CD2-CB 4.27Å; Y954-A956 PolarHBondContact O-N 3.37Å; Y954-A956 VanDerWaalsContact O-N 3.15Å | ||
| 957 | Q | 87.1 | Confident | 86.6 | Confident | 92 Ų | 92 | 33.3 Ų | 33.3 | 43% | 0.43 | 18% | 0.176 | S | C | . | . | trans | -63.3 | 134.8 | 172.9 | -175.2 | 176.9 | 9.7 | 0 | 0 | 111 | F948 C952 S955 L1050 | F948-Q957 WeakPolarHBondContact CD1-O 3.35Å; F948-Q957 HydrophobicContact CE1-CB 3.96Å; F948-Q957 HydrophobicContact CE1-CG 4.06Å; F948-Q957 WeakPolarHBondContact CE1-O 3.31Å; C952-Q957 HydrophobicContact CB-CB 4.45Å; S955-Q957 PolarHBondContact O-N 2.91Å; S955-Q957 VanDerWaalsContact O-N 3.16Å; Q957-L1050 HydrophobicContact CG-CD2 4.37Å | ||
| 958 | T | 88.1 | Confident | 86.5 | Confident | 31 Ų | 31 | 31.6 Ų | 31.6 | 19% | 0.19 | 17% | 0.169 | C | C | . | . | trans | -73 | 130 | 177.7 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | L87 L352 I965 | L87-T958 HydrophobicContact CD2-CG2 3.79Å; L352-T958 HydrophobicContact CD1-CG2 3.48Å; L352-T958 VanDerWaalsContact CD1-CG2 3.48Å; T958-I965 HydrophobicContact CG2-CD1 4.27Å | ||
| 959 | I | 89.2 | Confident | 86.3 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -73.9 | -43.6 | 171.5 | -163 | 176.2 | 0 | 0 | 0 | 110.9 | F948 F1028 L1050 S1054 I1057 | F948-I959 HydrophobicContact CB-CB 4.36Å; F948-I959 HydrophobicContact CB-CD1 4.23Å; F948-I959 HydrophobicContact CD1-CB 4.04Å; F948-I959 HydrophobicContact CD2-CD1 4.46Å; F948-I959 HydrophobicContact CG-CB 4.17Å; F948-I959 HydrophobicContact CG-CD1 4.34Å; F948-I959 HydrophobicContact CG-CG1 4.34Å; I959-F1028 HydrophobicContact CD1-CD2 3.6Å; I959-F1028 HydrophobicContact CD1-CE2 3.64Å; I959-L1050 HydrophobicContact CG1-CD1 4.5Å; I959-S1054 WeakPolarHBondContact O-CB 3.49Å; I959-S1054 PolarHBondContact O-OG 2.96Å; I959-I1057 HydrophobicContact CD1-CD1 3.49Å; I959-I1057 VanDerWaalsContact CD1-CD1 3.49Å; I959-I1057 HydrophobicContact CG1-CD1 4.47Å |
| 960 | Y | 88.2 | Confident | 85.9 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -91.9 | 157.1 | -179.4 | -54.5 | -52.5 | 0 | 0 | 0 | 112.3 | F941 A944 H945 I1057 F1058 | F941-Y960 AromaticContact CD2-CD2 3.93Å; F941-Y960 HydrophobicContact CD2-CD2 3.93Å; F941-Y960 AromaticContact CD2-CE2 3.55Å; F941-Y960 HydrophobicContact CD2-CE2 3.55Å; F941-Y960 AromaticContact CE2-CD2 3.33Å; F941-Y960 HydrophobicContact CE2-CD2 3.33Å; F941-Y960 AromaticContact CE2-CE2 3.48Å; F941-Y960 HydrophobicContact CE2-CE2 3.48Å; F941-Y960 VanDerWaalsContact CE2-CE2 3.48Å; F941-Y960 HydrophobicContact CE2-CG 4.31Å; F941-Y960 HydrophobicContact CZ-CD2 4.1Å; F941-Y960 HydrophobicContact CZ-CE2 4.48Å; A944-Y960 HydrophobicContact CB-CE2 4.18Å; A944-Y960 VanDerWaalsContact CB-OH 3.3Å; A944-Y960 WeakPolarHBondContact CB-OH 3.3Å; H945-Y960 AromaticContact CE1-CD2 3.82Å; H945-Y960 AromaticContact NE2-CD2 3.47Å; H945-Y960 WeakPolarHBondContact NE2-CD2 3.21Å; Y960-I1057 HydrophobicContact CE1-CB 4.17Å; Y960-I1057 HydrophobicContact CE1-CG2 3.68Å; Y960-I1057 VanDerWaalsContact OH-CG2 3.29Å; Y960-I1057 WeakPolarHBondContact OH-CG2 3.14Å; Y960-F1058 HydrophobicContact CD1-CB 3.79Å; Y960-F1058 AromaticContact CD1-CD2 3.58Å; Y960-F1058 HydrophobicContact CD1-CD2 3.58Å; Y960-F1058 HydrophobicContact CD1-CG 4.15Å; Y960-F1058 HydrophobicContact CD2-CD2 4.26Å; Y960-F1058 HydrophobicContact CE1-CB 3.83Å; Y960-F1058 AromaticContact CE1-CD2 3.87Å; Y960-F1058 HydrophobicContact CE1-CD2 3.87Å; Y960-F1058 HydrophobicContact CE1-CG 4.36Å; Y960-F1058 AromaticContact CG-CD2 3.78Å; Y960-F1058 HydrophobicContact CG-CD2 3.78Å; Y960-F1058 HydrophobicContact CG-CE2 4.47Å |
| 961 | D | 83.4 | Confident | 85.8 | Confident | 38 Ų | 38 | 35.2 Ų | 35.2 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | trans | -62.6 | 134 | 172.1 | -168.3 | -70.8 | 0 | 0 | 0 | 111.3 | L963 F964 I965 | D961-L963 PolarHBondContact O-N 2.73Å; D961-L963 VanDerWaalsContact O-N 3.15Å; D961-L963 WeakPolarHBondContact OD1-CB 3.37Å; D961-L963 PolarHBondContact OD1-N 2.98Å; D961-F964 HydrophobicContact CB-CB 4.33Å; D961-F964 HydrophobicContact CB-CD2 4.24Å; D961-F964 HydrophobicContact CB-CG 4.35Å; D961-F964 PolarHBondContact O-N 3.25Å; D961-I965 WeakPolarHBondContact O-CG1 3.28Å; D961-I965 PolarHBondContact O-N 3.45Å | ||
| 962 | P | 79.9 | Confident | 86 | Confident | 41 Ų | 41 | 30.4 Ų | 30.4 | 27% | 0.266 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -52.5 | -34.1 | 179.3 | -28.4 | 35.6 | 0 | 0 | 0 | 115 | T966 | P962-T966 PolarHBondContact O-N 2.75Å; P962-T966 PolarHBondContact O-OG1 2.95Å; P962-T966 VanDerWaalsContact O-OG1 3.08Å |
| 963 | L | 80.7 | Confident | 86.3 | Confident | 66 Ų | 66 | 29.5 Ų | 29.5 | 35% | 0.346 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.5 | -45.9 | 176.3 | -179.5 | 66.2 | 0 | 0 | 0 | 110.6 | D961 I965 T966 C967 Y1098 | D961-L963 PolarHBondContact O-N 2.73Å; D961-L963 VanDerWaalsContact O-N 3.15Å; D961-L963 WeakPolarHBondContact OD1-CB 3.37Å; D961-L963 PolarHBondContact OD1-N 2.98Å; L963-I965 PolarHBondContact O-N 3.15Å; L963-T966 WeakPolarHBondContact O-CB 3.45Å; L963-T966 PolarHBondContact O-N 2.75Å; L963-T966 VanDerWaalsContact O-N 3.14Å; L963-C967 PolarHBondContact O-N 3.21Å; L963-C967 PolarHBondContact O-SG 3.42Å; L963-C967 VanDerWaalsContact O-SG 3.36Å; L963-Y1098 HydrophobicContact CB-CE2 4.49Å; L963-Y1098 HydrophobicContact CD2-CD1 4.39Å; L963-Y1098 HydrophobicContact CD2-CD2 3.26Å; L963-Y1098 HydrophobicContact CD2-CE1 4.4Å; L963-Y1098 HydrophobicContact CD2-CE2 3.33Å; L963-Y1098 HydrophobicContact CD2-CG 3.85Å |
| 964 | F | 87 | Confident | 86.6 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -34.6 | 179.9 | -75.1 | -5.7 | 0 | 0 | 0 | 113.3 | D961 T966 C967 Y968 F972 F1058 Y1091 A1095 Y1098 Y1099 | D961-F964 HydrophobicContact CB-CB 4.33Å; D961-F964 HydrophobicContact CB-CD2 4.24Å; D961-F964 HydrophobicContact CB-CG 4.35Å; D961-F964 PolarHBondContact O-N 3.25Å; F964-T966 PolarHBondContact O-N 3.27Å; F964-C967 PolarHBondContact O-N 3.17Å; F964-Y968 WeakPolarHBondContact O-CB 3.31Å; F964-Y968 PolarHBondContact O-N 2.98Å; F964-F972 HydrophobicContact CD1-CE2 4Å; F964-F972 HydrophobicContact CD1-CZ 4.23Å; F964-F972 HydrophobicContact CE1-CZ 4.39Å; F964-F972 HydrophobicContact CG-CE2 4.5Å; F964-F1058 HydrophobicContact CB-CD2 4.41Å; F964-F1058 HydrophobicContact CB-CE1 4.06Å; F964-F1058 HydrophobicContact CB-CE2 3.88Å; F964-F1058 HydrophobicContact CB-CZ 3.68Å; F964-F1058 AromaticContact CD2-CD1 3.92Å; F964-F1058 HydrophobicContact CD2-CD1 3.92Å; F964-F1058 HydrophobicContact CD2-CE1 4.01Å; F964-F1058 HydrophobicContact CD2-CG 4.29Å; F964-F1058 HydrophobicContact CD2-CZ 4.44Å; F964-F1058 HydrophobicContact CE2-CD1 4.43Å; F964-F1058 HydrophobicContact CG-CD1 4.45Å; F964-F1058 HydrophobicContact CG-CE1 4.08Å; F964-F1058 HydrophobicContact CG-CZ 4.21Å; F964-Y1091 HydrophobicContact CE2-CE2 4.49Å; F964-A1095 HydrophobicContact CZ-CB 4.03Å; F964-Y1098 HydrophobicContact CE1-CD1 4.46Å; F964-Y1099 AromaticContact CE2-CE2 3.4Å; F964-Y1099 HydrophobicContact CE2-CE2 3.4Å; F964-Y1099 AromaticContact CE2-CZ 3.78Å; F964-Y1099 WeakPolarHBondContact CE2-OH 3.48Å; F964-Y1099 HydrophobicContact CZ-CD2 4.18Å; F964-Y1099 AromaticContact CZ-CE2 3.43Å; F964-Y1099 HydrophobicContact CZ-CE2 3.43Å; F964-Y1099 VanDerWaalsContact CZ-CE2 3.43Å |
| 965 | I | 85.8 | Confident | 86.8 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 5% | 0.046 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.8 | -44.2 | 171.3 | -66.1 | 173.4 | 0 | 0 | 0 | 110.1 | L87 T355 F941 T958 D961 L963 | L87-I965 HydrophobicContact CD2-CD1 3.74Å; T355-I965 HydrophobicContact CG2-CG2 4.14Å; F941-I965 HydrophobicContact CZ-CB 4.21Å; F941-I965 HydrophobicContact CZ-CG1 4.07Å; F941-I965 HydrophobicContact CZ-CG2 4.05Å; T958-I965 HydrophobicContact CG2-CD1 4.27Å; D961-I965 WeakPolarHBondContact O-CG1 3.28Å; D961-I965 PolarHBondContact O-N 3.45Å; L963-I965 PolarHBondContact O-N 3.15Å |
| 966 | T | 81.2 | Confident | 87.2 | Confident | 29 Ų | 29 | 29.2 Ų | 29.2 | 18% | 0.178 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.8 | -44.4 | 179.2 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | T91 P962 L963 F964 Y968 | T91-T966 WeakPolarHBondContact CB-OG1 3.36Å; T91-T966 WeakPolarHBondContact CG2-OG1 3.45Å; P962-T966 PolarHBondContact O-N 2.75Å; P962-T966 PolarHBondContact O-OG1 2.95Å; P962-T966 VanDerWaalsContact O-OG1 3.08Å; L963-T966 WeakPolarHBondContact O-CB 3.45Å; L963-T966 PolarHBondContact O-N 2.75Å; L963-T966 VanDerWaalsContact O-N 3.14Å; F964-T966 PolarHBondContact O-N 3.27Å; T966-Y968 PolarHBondContact O-N 3.5Å |
| 967 | C | 85.7 | Confident | 87.5 | Confident | 13 Ų | 13 | 29.1 Ų | 29.1 | 9% | 0.088 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.3 | -25.2 | -177.2 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | L963 F964 N969 L970 I971 F972 | L963-C967 PolarHBondContact O-N 3.21Å; L963-C967 PolarHBondContact O-SG 3.42Å; L963-C967 VanDerWaalsContact O-SG 3.36Å; F964-C967 PolarHBondContact O-N 3.17Å; C967-N969 PolarHBondContact O-N 2.89Å; C967-L970 PolarHBondContact O-N 2.97Å; C967-I971 HydrophobicContact CB-CB 4.49Å; C967-I971 HydrophobicContact CB-CD1 4.42Å; C967-I971 WeakPolarHBondContact O-CA 3.44Å; C967-I971 PolarHBondContact O-N 3.45Å; C967-F972 HydrophobicContact CB-CD2 3.92Å; C967-F972 HydrophobicContact CB-CE1 4.26Å; C967-F972 HydrophobicContact CB-CE2 3.42Å; C967-F972 VanDerWaalsContact CB-CE2 3.42Å; C967-F972 HydrophobicContact CB-CZ 3.62Å; C967-F972 PolarHBondContact O-N 3.48Å |
| 968 | Y | 89.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -53 | -52.9 | -177.5 | 175.4 | -108.7 | 0 | 0 | 0 | 112.7 | K937 F941 F964 T966 T973 F1058 L1061 I1062 | K937-Y968 PolarHBondContact O-OH 3.43Å; F941-Y968 HydrophobicContact CB-CD1 4.17Å; F941-Y968 HydrophobicContact CB-CE1 3.51Å; F941-Y968 AromaticContact CD1-CD1 3.72Å; F941-Y968 HydrophobicContact CD1-CD1 3.72Å; F941-Y968 AromaticContact CD1-CE1 3.85Å; F941-Y968 HydrophobicContact CD1-CE1 3.85Å; F941-Y968 HydrophobicContact CD2-CD1 4.03Å; F941-Y968 HydrophobicContact CD2-CD2 4.42Å; F941-Y968 HydrophobicContact CD2-CE1 4.18Å; F941-Y968 HydrophobicContact CD2-CG 4.16Å; F941-Y968 HydrophobicContact CE1-CD1 4.09Å; F941-Y968 HydrophobicContact CE2-CD1 4.34Å; F941-Y968 HydrophobicContact CE2-CG 4.27Å; F941-Y968 AromaticContact CG-CD1 3.69Å; F941-Y968 HydrophobicContact CG-CD1 3.69Å; F941-Y968 AromaticContact CG-CE1 3.57Å; F941-Y968 HydrophobicContact CG-CE1 3.57Å; F941-Y968 HydrophobicContact CG-CG 4.29Å; F941-Y968 HydrophobicContact CZ-CD1 4.38Å; F964-Y968 WeakPolarHBondContact O-CB 3.31Å; F964-Y968 PolarHBondContact O-N 2.98Å; T966-Y968 PolarHBondContact O-N 3.5Å; Y968-T973 HydrophobicContact CD2-CG2 3.89Å; Y968-T973 HydrophobicContact CE2-CG2 3.49Å; Y968-T973 VanDerWaalsContact CE2-CG2 3.49Å; Y968-T973 WeakPolarHBondContact O-CB 3.31Å; Y968-T973 PolarHBondContact O-N 2.71Å; Y968-T973 PolarHBondContact O-OG1 3.48Å; Y968-F1058 HydrophobicContact CD2-CE2 4.43Å; Y968-F1058 HydrophobicContact CD2-CZ 4.29Å; Y968-L1061 HydrophobicContact CD2-CD2 4.25Å; Y968-L1061 HydrophobicContact CE2-CD2 3.77Å; Y968-L1061 HydrophobicContact CE2-CG 4.13Å; Y968-I1062 HydrophobicContact CD2-CD1 3.71Å; Y968-I1062 HydrophobicContact CE2-CD1 3.91Å |
| 969 | N | 86.7 | Confident | 88.1 | Confident | 18 Ų | 18 | 24.3 Ų | 24.3 | 10% | 0.096 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -85.6 | -20.8 | -175.4 | -91.7 | -30 | 0 | 0 | 0 | 114.1 | K937 N938 C967 | K937-N969 PolarHBondContact NZ-OD1 3.31Å; N938-N969 PolarHBondContact OD1-ND2 3.39Å; N938-N969 PolarHBondContact OD1-OD1 3.4Å; C967-N969 PolarHBondContact O-N 2.89Å |
| 970 | L | 83 | Confident | 88.3 | Confident | 88 Ų | 88 | 24.1 Ų | 24.1 | 46% | 0.461 | 13% | 0.133 | S | C | . | . | I | π-helix | trans | -97.6 | -37.5 | -174.6 | -173.6 | 67.1 | 0 | 0 | 0 | 113.2 | C967 A974 | C967-L970 PolarHBondContact O-N 2.97Å; L970-A974 WeakPolarHBondContact O-CB 3.34Å |
| 971 | I | 87.1 | Confident | 88.6 | Confident | 67 Ų | 67 | 24 Ų | 24 | 34% | 0.344 | 13% | 0.133 | S | C | . | . | I | π-helix | trans | -119.9 | -60.3 | -169.5 | -57.1 | -179.5 | 0 | 0 | 0 | 110.5 | C967 T973 L1090 | C967-I971 HydrophobicContact CB-CB 4.49Å; C967-I971 HydrophobicContact CB-CD1 4.42Å; C967-I971 WeakPolarHBondContact O-CA 3.44Å; C967-I971 PolarHBondContact O-N 3.45Å; I971-T973 PolarHBondContact O-N 3.33Å; I971-L1090 HydrophobicContact CG2-CD2 3.6Å; I971-L1090 HydrophobicContact CG2-CG 4.44Å |
| 972 | F | 91.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -69.8 | -37.8 | -167.1 | -56 | -35.9 | 0 | 0 | 0 | 113.3 | F964 C967 F1058 I1062 S1087 Y1091 V1094 | F964-F972 HydrophobicContact CD1-CE2 4Å; F964-F972 HydrophobicContact CD1-CZ 4.23Å; F964-F972 HydrophobicContact CE1-CZ 4.39Å; F964-F972 HydrophobicContact CG-CE2 4.5Å; C967-F972 HydrophobicContact CB-CD2 3.92Å; C967-F972 HydrophobicContact CB-CE1 4.26Å; C967-F972 HydrophobicContact CB-CE2 3.42Å; C967-F972 VanDerWaalsContact CB-CE2 3.42Å; C967-F972 HydrophobicContact CB-CZ 3.62Å; C967-F972 PolarHBondContact O-N 3.48Å; F972-F1058 HydrophobicContact CD2-CE1 4.03Å; F972-F1058 HydrophobicContact CD2-CZ 4.02Å; F972-F1058 HydrophobicContact CE2-CE1 4.05Å; F972-F1058 HydrophobicContact CE2-CZ 4.17Å; F972-I1062 HydrophobicContact CB-CD1 3.96Å; F972-I1062 HydrophobicContact CD2-CD1 4.39Å; F972-S1087 VanDerWaalsContact O-CB 3.31Å; F972-S1087 WeakPolarHBondContact O-CB 3.29Å; F972-Y1091 HydrophobicContact CD1-CD2 4.42Å; F972-Y1091 HydrophobicContact CD2-CD2 4.06Å; F972-Y1091 HydrophobicContact CE1-CD2 4.32Å; F972-Y1091 AromaticContact CE2-CD2 3.94Å; F972-Y1091 HydrophobicContact CE2-CD2 3.94Å; F972-Y1091 HydrophobicContact CG-CD2 4.31Å; F972-Y1091 HydrophobicContact CZ-CD2 4.08Å; F972-V1094 HydrophobicContact CE1-CB 3.95Å; F972-V1094 HydrophobicContact CE1-CG1 4.06Å; F972-V1094 HydrophobicContact CE1-CG2 4.17Å; F972-V1094 HydrophobicContact CZ-CB 4.15Å; F972-V1094 HydrophobicContact CZ-CG1 3.83Å |
| 973 | T | 92.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 2 | -178.1 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | K937 Y968 I971 V977 I1062 V1065 | K937-T973 PolarHBondContact NZ-OG1 2.91Å; Y968-T973 HydrophobicContact CD2-CG2 3.89Å; Y968-T973 HydrophobicContact CE2-CG2 3.49Å; Y968-T973 VanDerWaalsContact CE2-CG2 3.49Å; Y968-T973 WeakPolarHBondContact O-CB 3.31Å; Y968-T973 PolarHBondContact O-N 2.71Å; Y968-T973 PolarHBondContact O-OG1 3.48Å; I971-T973 PolarHBondContact O-N 3.33Å; T973-V977 WeakPolarHBondContact O-CG2 3.46Å; T973-I1062 HydrophobicContact CG2-CD1 4.19Å; T973-V1065 HydrophobicContact CG2-CG1 4.19Å |
| 974 | A | 90.6 | Very high | 90.4 | Very high | 16 Ų | 16 | 19.3 Ų | 19.3 | 13% | 0.132 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -72.7 | -52.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L970 V977 I978 | L970-A974 WeakPolarHBondContact O-CB 3.34Å; A974-V977 PolarHBondContact O-N 3.04Å; A974-I978 WeakPolarHBondContact O-CB 3.32Å; A974-I978 VanDerWaalsContact O-CG1 3.29Å; A974-I978 WeakPolarHBondContact O-CG1 3.49Å; A974-I978 PolarHBondContact O-N 2.69Å |
| 975 | L | 92.9 | Very high | 90.5 | Very high | 78 Ų | 78 | 21.1 Ų | 21.1 | 41% | 0.408 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.2 | -44.7 | -174.7 | -64.9 | 177.1 | 0 | 0 | 0 | 114.2 | V977 I978 G979 F1083 | L975-V977 VanDerWaalsContact C-N 3.27Å; L975-V977 PolarHBondContact O-N 2.69Å; L975-I978 PolarHBondContact O-N 2.91Å; L975-G979 PolarHBondContact O-N 3.06Å; L975-F1083 HydrophobicContact CB-CB 4.19Å; L975-F1083 HydrophobicContact CB-CD1 4.41Å; L975-F1083 HydrophobicContact CB-CD2 4.22Å; L975-F1083 HydrophobicContact CB-CG 4.04Å; L975-F1083 VanDerWaalsContact O-CD2 3.26Å; L975-F1083 WeakPolarHBondContact O-CD2 3.21Å |
| 976 | P | 94 | Very high | 90.7 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 179.4 | -24.1 | 35.7 | 0 | 0 | 0 | 111.6 | G979 M980 I1069 S1087 | P976-G979 PolarHBondContact O-N 3.45Å; P976-M980 PolarHBondContact O-N 2.98Å; P976-I1069 VanDerWaalsContact C-CD1 3.45Å; P976-I1069 HydrophobicContact CB-CD1 3.89Å; P976-I1069 HydrophobicContact CB-CG2 4.23Å; P976-I1069 WeakPolarHBondContact O-CD1 3.26Å; P976-S1087 WeakPolarHBondContact CD-OG 3.42Å |
| 977 | V | 93.6 | Very high | 91 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.2 | -40.6 | -176.9 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | F930 Y933 F934 K937 T973 A974 L975 G981 I1069 | F930-V977 HydrophobicContact CD2-CG1 3.42Å; F930-V977 VanDerWaalsContact CD2-CG1 3.42Å; F930-V977 HydrophobicContact CE2-CG1 3.53Å; Y933-V977 HydrophobicContact CD1-CG1 4.14Å; Y933-V977 HydrophobicContact CD1-CG2 3.62Å; Y933-V977 HydrophobicContact CE1-CG2 3.29Å; F934-V977 HydrophobicContact CD2-CG1 3.97Å; K937-V977 HydrophobicContact CD-CG2 4.02Å; T973-V977 WeakPolarHBondContact O-CG2 3.46Å; A974-V977 PolarHBondContact O-N 3.04Å; L975-V977 VanDerWaalsContact C-N 3.27Å; L975-V977 PolarHBondContact O-N 2.69Å; V977-G981 PolarHBondContact O-N 3.44Å; V977-G981 VanDerWaalsContact O-N 3.07Å; V977-I1069 HydrophobicContact CB-CD1 4.39Å; V977-I1069 HydrophobicContact CG2-CD1 3.84Å |
| 978 | I | 93.5 | Very high | 91.2 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 11% | 0.113 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 171.3 | -68.7 | 169.2 | 0 | 0 | 0 | 110.5 | I367 A974 L975 M980 G981 I982 | I367-I978 HydrophobicContact CD1-CD1 4.42Å; I367-I978 HydrophobicContact CG2-CG2 4.23Å; A974-I978 WeakPolarHBondContact O-CB 3.32Å; A974-I978 VanDerWaalsContact O-CG1 3.29Å; A974-I978 WeakPolarHBondContact O-CG1 3.49Å; A974-I978 PolarHBondContact O-N 2.69Å; L975-I978 PolarHBondContact O-N 2.91Å; I978-M980 PolarHBondContact O-N 3.36Å; I978-G981 CarbonylContact O-C 3.5Å; I978-G981 PolarHBondContact O-N 3.11Å; I978-G981 VanDerWaalsContact O-N 3.12Å; I978-I982 HydrophobicContact CG2-CD1 3.47Å; I978-I982 VanDerWaalsContact CG2-CD1 3.47Å; I978-I982 HydrophobicContact CG2-CG1 4.27Å; I978-I982 WeakPolarHBondContact O-CG1 3.28Å; I978-I982 PolarHBondContact O-N 3.31Å |
| 979 | G | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.4 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L975 P976 G981 I982 F983 | L975-G979 PolarHBondContact O-N 3.06Å; P976-G979 PolarHBondContact O-N 3.45Å; G979-G981 PolarHBondContact O-N 3.02Å; G979-I982 PolarHBondContact O-N 3.49Å; G979-F983 WeakPolarHBondContact O-CD2 3.47Å; G979-F983 PolarHBondContact O-N 2.85Å |
| 980 | M | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 173.3 | -175.3 | -128 | -76.6 | 0 | 0 | 111.7 | K929 Y933 P976 I978 I982 D984 I1069 | K929-M980 HydrophobicContact CB-SD 4.04Å; K929-M980 HydrophobicContact CD-CG 4.36Å; K929-M980 HydrophobicContact CD-SD 3.82Å; K929-M980 HydrophobicContact CG-CE 4.39Å; K929-M980 HydrophobicContact CG-SD 3.6Å; K929-M980 VanDerWaalsContact CG-SD 3.6Å; Y933-M980 HydrophobicContact CD1-CE 4.29Å; Y933-M980 HydrophobicContact CD2-CE 4.19Å; Y933-M980 HydrophobicContact CG-CE 3.78Å; P976-M980 PolarHBondContact O-N 2.98Å; I978-M980 PolarHBondContact O-N 3.36Å; M980-I982 VanDerWaalsContact C-N 3.26Å; M980-I982 PolarHBondContact O-N 3.08Å; M980-D984 HydrophobicContact CG-CB 4.37Å; M980-D984 WeakPolarHBondContact O-CB 3.2Å; M980-D984 PolarHBondContact O-N 3.32Å; M980-I1069 HydrophobicContact CB-CD1 4.15Å; M980-I1069 HydrophobicContact CB-CG1 4.5Å; M980-I1069 HydrophobicContact CE-CD1 3.78Å; M980-I1069 HydrophobicContact CE-CG1 3.84Å |
| 981 | G | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.6 | -21.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | I368 H372 R926 V977 I978 G979 | I368-G981 WeakPolarHBondContact CG2-O 3.26Å; H372-G981 PolarHBondContact NE2-O 3.16Å; R926-G981 WeakPolarHBondContact CB-O 3.32Å; R926-G981 WeakPolarHBondContact CD-O 3.4Å; V977-G981 PolarHBondContact O-N 3.44Å; V977-G981 VanDerWaalsContact O-N 3.07Å; I978-G981 CarbonylContact O-C 3.5Å; I978-G981 PolarHBondContact O-N 3.11Å; I978-G981 VanDerWaalsContact O-N 3.12Å; G979-G981 PolarHBondContact O-N 3.02Å |
| 982 | I | 94.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.062 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -99.7 | -47.6 | -178.4 | -64.9 | 170.4 | 0 | 0 | 0 | 111.9 | I368 C371 R926 I978 G979 M980 | I368-I982 HydrophobicContact CG1-CG1 4.31Å; C371-I982 HydrophobicContact CB-CD1 3.93Å; C371-I982 HydrophobicContact CB-CG1 3.98Å; C371-I982 HydrophobicContact CB-CG2 4.2Å; R926-I982 PolarHBondContact NE-O 3.17Å; R926-I982 PolarHBondContact NH1-O 2.66Å; I978-I982 HydrophobicContact CG2-CD1 3.47Å; I978-I982 VanDerWaalsContact CG2-CD1 3.47Å; I978-I982 HydrophobicContact CG2-CG1 4.27Å; I978-I982 WeakPolarHBondContact O-CG1 3.28Å; I978-I982 PolarHBondContact O-N 3.31Å; G979-I982 PolarHBondContact O-N 3.49Å; M980-I982 VanDerWaalsContact C-N 3.26Å; M980-I982 PolarHBondContact O-N 3.08Å |
| 983 | F | 93.9 | Very high | 91.6 | Very high | 36 Ų | 36 | 28.2 Ų | 28.2 | 16% | 0.158 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -103.7 | -13.3 | -163.8 | -59.9 | -73.1 | 0 | 0 | 0 | 114.8 | W375 G979 T1077 I1079 F1083 | W375-F983 HydrophobicContact CH2-CD1 4.3Å; W375-F983 HydrophobicContact CH2-CE1 4.46Å; W375-F983 AromaticContact CZ2-CD1 3.71Å; W375-F983 HydrophobicContact CZ2-CD1 3.71Å; W375-F983 AromaticContact CZ2-CE1 3.68Å; W375-F983 HydrophobicContact CZ2-CE1 3.68Å; G979-F983 WeakPolarHBondContact O-CD2 3.47Å; G979-F983 PolarHBondContact O-N 2.85Å; F983-T1077 HydrophobicContact CB-CG2 4.41Å; F983-I1079 HydrophobicContact CD2-CG2 4.14Å; F983-I1079 HydrophobicContact CE1-CD1 3.77Å; F983-I1079 HydrophobicContact CE2-CB 4.28Å; F983-I1079 HydrophobicContact CE2-CD1 4.23Å; F983-I1079 HydrophobicContact CE2-CG2 3.59Å; F983-I1079 HydrophobicContact CZ-CD1 3.62Å; F983-I1079 HydrophobicContact CZ-CG2 4.05Å; F983-F1083 HydrophobicContact CE2-CE2 4.44Å |
| 984 | D | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -68.7 | 143.3 | -172.9 | -163.3 | 33.1 | 0 | 0 | 0 | 112.5 | R926 K929 M980 A1074 Y1075 | R926-D984 PolarHBondContact NE-O 3.46Å; R926-D984 PolarHBondContact NH2-O 2.81Å; K929-D984 WeakPolarHBondContact CD-OD2 3.45Å; K929-D984 WeakPolarHBondContact CE-OD2 3.35Å; K929-D984 IonicContact NZ-OD2 3.65Å; K929-D984 PolarHBondContact NZ-OD2 3.38Å; M980-D984 HydrophobicContact CG-CB 4.37Å; M980-D984 WeakPolarHBondContact O-CB 3.2Å; M980-D984 PolarHBondContact O-N 3.32Å; D984-A1074 PolarHBondContact OD1-N 3.34Å; D984-Y1075 PolarHBondContact OD1-N 3.17Å | ||
| 985 | Q | 90.8 | Very high | 91.2 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | trans | -142.1 | 125.3 | -179 | -66.4 | 178.7 | 21.1 | 0 | 0 | 109 | W922 Y1075 | W922-Q985 HydrophobicContact CZ2-CG 4.19Å; Q985-Y1075 HydrophobicContact CB-CD1 4.31Å; Q985-Y1075 HydrophobicContact CB-CG 4.26Å; Q985-Y1075 HydrophobicContact CG-CD1 4.4Å; Q985-Y1075 WeakPolarHBondContact O-CB 3.4Å | ||
| 986 | D | 88.5 | Confident | 91.1 | Very high | 21 Ų | 21 | 32 Ų | 32 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -77.9 | -43.3 | 174.1 | 65.4 | -30.2 | 0 | 0 | 0 | 111.6 | R921 Y925 | R921-D986 IonicContact CZ-OD1 3.38Å; R921-D986 IonicContact CZ-OD2 3.34Å; R921-D986 IonicContact NH1-OD1 3.37Å; R921-D986 PolarHBondContact NH1-OD1 2.82Å; R921-D986 IonicContact NH1-OD2 2.63Å; R921-D986 PolarHBondContact NH1-OD2 3.08Å; R921-D986 IonicContact NH2-OD1 2.71Å; R921-D986 PolarHBondContact NH2-OD1 3.35Å; R921-D986 IonicContact NH2-OD2 3.14Å; Y925-D986 HydrophobicContact CD1-CB 4.46Å; Y925-D986 HydrophobicContact CE1-CB 3.95Å; Y925-D986 HydrophobicContact CE2-CB 4.35Å |
| 987 | V | 88.5 | Confident | 90.9 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -141.6 | 143.1 | -176 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | W922 N991 L998 A1154 I1157 | W922-V987 WeakPolarHBondContact CZ2-O 3.48Å; W922-V987 PolarHBondContact NE1-O 3.17Å; V987-N991 HydrophobicContact CG1-CB 3.49Å; V987-N991 VanDerWaalsContact CG1-CB 3.49Å; V987-L998 HydrophobicContact CB-CD1 4.42Å; V987-L998 HydrophobicContact CG1-CD1 4.09Å; V987-L998 HydrophobicContact CG2-CD1 4.29Å; V987-A1154 HydrophobicContact CG2-CB 4.05Å; V987-I1157 HydrophobicContact CG1-CG2 4.07Å |
| 988 | N | 90 | Very high | 90.8 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | trans | -63.9 | 163.1 | 177 | 68.9 | -13.2 | 0 | 0 | 0 | 113 | R990 N991 S992 Q1161 | N988-R990 PolarHBondContact O-N 3.02Å; N988-N991 PolarHBondContact O-N 3.31Å; N988-N991 WeakPolarHBondContact OD1-CB 3.28Å; N988-N991 VanDerWaalsContact OD1-CG 3.26Å; N988-N991 PolarHBondContact OD1-N 3.34Å; N988-N991 VanDerWaalsContact OD1-N 3.14Å; N988-N991 PolarHBondContact OD1-ND2 2.84Å; N988-S992 PolarHBondContact O-N 2.96Å; N988-S992 PolarHBondContact O-OG 3.2Å; N988-Q1161 PolarHBondContact OD1-NE2 3.2Å | ||
| 989 | D | 90.8 | Very high | 90.7 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.193 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | -178.1 | 65 | -25.6 | 0 | 0 | 0 | 112.7 | R914 V918 W922 N991 S992 L993 | R914-D989 IonicContact CZ-OD2 3.66Å; R914-D989 IonicContact NH1-OD2 2.99Å; R914-D989 PolarHBondContact NH1-OD2 3.48Å; R914-D989 IonicContact NH2-OD2 2.79Å; R914-D989 PolarHBondContact NH2-OD2 3.32Å; V918-D989 HydrophobicContact CG1-CB 3.71Å; V918-D989 HydrophobicContact CG2-CB 4.2Å; W922-D989 HydrophobicContact CH2-CB 3.77Å; W922-D989 HydrophobicContact CZ2-CB 4.11Å; D989-N991 PolarHBondContact O-N 3.43Å; D989-S992 WeakPolarHBondContact O-CB 2.88Å; D989-S992 PolarHBondContact O-N 3.34Å; D989-L993 PolarHBondContact O-N 2.82Å; D989-L993 VanDerWaalsContact O-N 3.11Å |
| 990 | R | 89.1 | Confident | 90.7 | Very high | 195 Ų | 195 | 36.6 Ų | 36.6 | 74% | 0.736 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -60.1 | -44.1 | 179.3 | -65.1 | -175.2 | -176.2 | -178.6 | 0.2 | 113.3 | N988 S992 L993 L994 | N988-R990 PolarHBondContact O-N 3.02Å; R990-S992 VanDerWaalsContact C-N 3.33Å; R990-L993 PolarHBondContact O-N 3.47Å; R990-L994 WeakPolarHBondContact O-CB 3.49Å; R990-L994 PolarHBondContact O-N 3.45Å |
| 991 | N | 88.3 | Confident | 90.5 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -77.5 | -23.9 | 178.7 | -69.6 | -56.4 | 0 | 0 | 0 | 112 | V987 N988 D989 L993 L994 Y995 I1157 Q1161 | V987-N991 HydrophobicContact CG1-CB 3.49Å; V987-N991 VanDerWaalsContact CG1-CB 3.49Å; N988-N991 PolarHBondContact O-N 3.31Å; N988-N991 WeakPolarHBondContact OD1-CB 3.28Å; N988-N991 VanDerWaalsContact OD1-CG 3.26Å; N988-N991 PolarHBondContact OD1-N 3.34Å; N988-N991 VanDerWaalsContact OD1-N 3.14Å; N988-N991 PolarHBondContact OD1-ND2 2.84Å; D989-N991 PolarHBondContact O-N 3.43Å; N991-L993 VanDerWaalsContact C-N 3.3Å; N991-L994 PolarHBondContact O-N 3.43Å; N991-Y995 HydrophobicContact CB-CD2 4.25Å; N991-Y995 WeakPolarHBondContact O-CD2 3.21Å; N991-Y995 PolarHBondContact O-N 3.13Å; N991-I1157 HydrophobicContact CB-CG2 4.05Å; N991-Q1161 WeakPolarHBondContact ND2-CG 3.24Å; N991-Q1161 PolarHBondContact ND2-NE2 2.93Å |
| 992 | S | 89.1 | Confident | 90.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -38 | 170.7 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | R921 N988 D989 R990 | R921-S992 PolarHBondContact NE-OG 3.42Å; R921-S992 PolarHBondContact NH2-OG 3.3Å; N988-S992 PolarHBondContact O-N 2.96Å; N988-S992 PolarHBondContact O-OG 3.2Å; D989-S992 WeakPolarHBondContact O-CB 2.88Å; D989-S992 PolarHBondContact O-N 3.34Å; R990-S992 VanDerWaalsContact C-N 3.33Å |
| 993 | L | 88.5 | Confident | 90.2 | Very high | 40 Ų | 40 | 38.5 Ų | 38.5 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -75.7 | -40.7 | 173.6 | -64.5 | 171.8 | 0 | 0 | 0 | 112.9 | E913 L917 V918 D989 R990 N991 Y995 P996 | E913-L993 HydrophobicContact CG-CD2 3.82Å; L917-L993 HydrophobicContact CB-CD2 4.23Å; L917-L993 HydrophobicContact CD1-CD2 4.39Å; V918-L993 HydrophobicContact CG2-CD1 4.42Å; V918-L993 HydrophobicContact CG2-CD2 3.94Å; V918-L993 HydrophobicContact CG2-CG 3.88Å; D989-L993 PolarHBondContact O-N 2.82Å; D989-L993 VanDerWaalsContact O-N 3.11Å; R990-L993 PolarHBondContact O-N 3.47Å; N991-L993 VanDerWaalsContact C-N 3.3Å; L993-Y995 VanDerWaalsContact C-N 3.31Å; L993-Y995 PolarHBondContact O-N 3.01Å; L993-P996 WeakPolarHBondContact O-CD 3.33Å |
| 994 | L | 87.3 | Confident | 90 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 58% | 0.576 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -67.8 | -29.8 | -179.1 | -174.3 | 65.2 | 0 | 0 | 0 | 113.2 | R990 N991 P996 | R990-L994 WeakPolarHBondContact O-CB 3.49Å; R990-L994 PolarHBondContact O-N 3.45Å; N991-L994 PolarHBondContact O-N 3.43Å; L994-P996 WeakPolarHBondContact O-CD 3.46Å |
| 995 | Y | 88.6 | Confident | 89.8 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | trans | -121.5 | 76.9 | 177.5 | -56.9 | -82 | 0 | 0 | 0 | 110.6 | N991 L993 Q997 L998 I1157 K1160 | N991-Y995 HydrophobicContact CB-CD2 4.25Å; N991-Y995 WeakPolarHBondContact O-CD2 3.21Å; N991-Y995 PolarHBondContact O-N 3.13Å; L993-Y995 VanDerWaalsContact C-N 3.31Å; L993-Y995 PolarHBondContact O-N 3.01Å; Y995-Q997 PolarHBondContact O-N 3.49Å; Y995-L998 WeakPolarHBondContact O-CB 3.3Å; Y995-L998 PolarHBondContact O-N 2.83Å; Y995-I1157 HydrophobicContact CD1-CD1 4.29Å; Y995-I1157 HydrophobicContact CD2-CD1 3.58Å; Y995-I1157 HydrophobicContact CD2-CG1 4.11Å; Y995-I1157 HydrophobicContact CE2-CD1 4.2Å; Y995-I1157 HydrophobicContact CE2-CG1 4.23Å; Y995-I1157 HydrophobicContact CE2-CG2 4.49Å; Y995-I1157 HydrophobicContact CG-CD1 3.63Å; Y995-I1157 HydrophobicContact CG-CG1 4.42Å; Y995-K1160 PolarHBondContact OH-NZ 3.29Å | ||
| 996 | P | 88.9 | Confident | 89.6 | Confident | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -57 | -24.4 | -178 | -24.9 | 34.1 | 0 | 0 | 0 | 114.2 | N694 A697 A698 L917 L993 L994 L998 Y999 | N694-P996 HydrophobicContact CB-CG 4.1Å; N694-P996 VanDerWaalsContact O-CB 3.23Å; N694-P996 WeakPolarHBondContact O-CB 3.3Å; A697-P996 HydrophobicContact CB-CB 4.25Å; A697-P996 HydrophobicContact CB-CG 4.28Å; A698-P996 HydrophobicContact CB-CB 3.88Å; A698-P996 WeakPolarHBondContact CB-O 3.45Å; L917-P996 HydrophobicContact CD1-CB 3.95Å; L917-P996 HydrophobicContact CD1-CG 4.22Å; L917-P996 HydrophobicContact CD2-CB 4.4Å; L993-P996 WeakPolarHBondContact O-CD 3.33Å; L994-P996 WeakPolarHBondContact O-CD 3.46Å; P996-L998 PolarHBondContact O-N 3.47Å; P996-Y999 WeakPolarHBondContact O-CB 3.22Å; P996-Y999 PolarHBondContact O-N 3.47Å |
| 997 | Q | 89.9 | Confident | 89.5 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -57 | -20.3 | 175.6 | -65.6 | 174.4 | -5 | 0 | 0 | 114 | Y995 Y999 I1000 L1153 | Y995-Q997 PolarHBondContact O-N 3.49Å; Q997-Y999 PolarHBondContact O-N 3.37Å; Q997-Y999 VanDerWaalsContact O-N 3.13Å; Q997-I1000 HydrophobicContact CB-CD1 4.18Å; Q997-I1000 HydrophobicContact CG-CD1 4.37Å; Q997-I1000 PolarHBondContact O-N 3.02Å; Q997-L1153 HydrophobicContact CB-CD2 3.8Å |
| 998 | L | 91.7 | Very high | 89.4 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -62.4 | -14.2 | 173.1 | -75.1 | 173.5 | 0 | 0 | 0 | 113.5 | R921 V987 Y995 P996 P1001 L1153 A1154 I1157 | R921-L998 WeakPolarHBondContact CD-O 3.46Å; V987-L998 HydrophobicContact CB-CD1 4.42Å; V987-L998 HydrophobicContact CG1-CD1 4.09Å; V987-L998 HydrophobicContact CG2-CD1 4.29Å; Y995-L998 WeakPolarHBondContact O-CB 3.3Å; Y995-L998 PolarHBondContact O-N 2.83Å; P996-L998 PolarHBondContact O-N 3.47Å; L998-P1001 WeakPolarHBondContact O-CD 3.39Å; L998-L1153 HydrophobicContact CD2-CB 4.14Å; L998-L1153 HydrophobicContact CD2-CD2 3.96Å; L998-L1153 HydrophobicContact CD2-CG 3.91Å; L998-L1153 HydrophobicContact CG-CD2 4.19Å; L998-A1154 HydrophobicContact CD2-CB 4.04Å; L998-I1157 HydrophobicContact CD1-CD1 3.73Å; L998-I1157 HydrophobicContact CD2-CD1 4.04Å; L998-I1157 HydrophobicContact CG-CD1 3.98Å |
| 999 | Y | 93 | Very high | 89.4 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -79.5 | -29.4 | 178.3 | -169.3 | -95.1 | 0 | 0 | 0 | 113.3 | L402 Q404 I405 A698 V700 L916 L917 R921 P996 Q997 P1001 G1002 Q1003 | L402-Y999 WeakPolarHBondContact O-CE2 3.4Å; L402-Y999 PolarHBondContact O-OH 2.87Å; Q404-Y999 PolarHBondContact N-OH 3.45Å; I405-Y999 WeakPolarHBondContact CB-OH 3.44Å; I405-Y999 PolarHBondContact N-OH 2.87Å; I405-Y999 WeakPolarHBondContact O-CE1 2.92Å; A698-Y999 HydrophobicContact CB-CD1 4.34Å; A698-Y999 HydrophobicContact CB-CG 4.46Å; V700-Y999 HydrophobicContact CG2-CD1 4.42Å; V700-Y999 HydrophobicContact CG2-CE1 4.2Å; L916-Y999 HydrophobicContact CB-CE2 4.23Å; L916-Y999 WeakPolarHBondContact O-CE2 3.31Å; L917-Y999 HydrophobicContact CD2-CD2 3.92Å; L917-Y999 HydrophobicContact CD2-CG 3.92Å; R921-Y999 HydrophobicContact CB-CD2 4.25Å; P996-Y999 WeakPolarHBondContact O-CB 3.22Å; P996-Y999 PolarHBondContact O-N 3.47Å; Q997-Y999 PolarHBondContact O-N 3.37Å; Q997-Y999 VanDerWaalsContact O-N 3.13Å; Y999-P1001 VanDerWaalsContact C-CD 3.45Å; Y999-G1002 PolarHBondContact O-N 3.18Å; Y999-Q1003 HydrophobicContact CD1-CG 4Å; Y999-Q1003 HydrophobicContact CE1-CG 3.81Å |
| 1000 | I | 92.4 | Very high | 89.4 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 16% | 0.159 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.5 | -41.3 | -174.8 | -61.8 | 168.4 | 0 | 0 | 0 | 113.8 | E699 Q997 G1002 Q1003 H1004 | E699-I1000 HydrophobicContact CB-CG1 4.49Å; E699-I1000 HydrophobicContact CG-CD1 4.03Å; E699-I1000 HydrophobicContact CG-CG1 4.4Å; Q997-I1000 HydrophobicContact CB-CD1 4.18Å; Q997-I1000 HydrophobicContact CG-CD1 4.37Å; Q997-I1000 PolarHBondContact O-N 3.02Å; I1000-G1002 PolarHBondContact O-N 3.39Å; I1000-G1002 VanDerWaalsContact O-N 3.13Å; I1000-Q1003 WeakPolarHBondContact O-CB 3.47Å; I1000-Q1003 PolarHBondContact O-N 3.1Å; I1000-Q1003 VanDerWaalsContact O-N 3.08Å; I1000-H1004 PolarHBondContact O-CD2 2.89Å; I1000-H1004 PolarHBondContact O-N 2.91Å |
| 1001 | P | 91 | Very high | 89.5 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 24% | 0.24 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -28.5 | 177.6 | -26.9 | 36.4 | 0 | 0 | 0 | 114.6 | L998 Y999 N1005 L1006 | L998-P1001 WeakPolarHBondContact O-CD 3.39Å; Y999-P1001 VanDerWaalsContact C-CD 3.45Å; P1001-N1005 PolarHBondContact O-N 3.16Å; P1001-L1006 HydrophobicContact CB-CB 4.31Å; P1001-L1006 HydrophobicContact CB-CD1 4.14Å; P1001-L1006 PolarHBondContact O-N 3.28Å |
| 1002 | G | 91.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G403 Y999 I1000 H1004 N1005 | G403-G1002 CarbonylContact O-C 3.51Å; G403-G1002 WeakPolarHBondContact O-CA 3.45Å; Y999-G1002 PolarHBondContact O-N 3.18Å; I1000-G1002 PolarHBondContact O-N 3.39Å; I1000-G1002 VanDerWaalsContact O-N 3.13Å; G1002-H1004 VanDerWaalsContact C-N 3.27Å; G1002-H1004 PolarHBondContact O-N 3.34Å; G1002-N1005 PolarHBondContact O-N 3.27Å |
| 1003 | Q | 90 | Very high | 89.7 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -33.7 | 178.4 | -66.5 | 171.1 | -28.3 | 0 | 0 | 112.9 | I405 Q406 A698 Y999 I1000 | I405-Q1003 PolarHBondContact O-NE2 3.4Å; Q406-Q1003 HydrophobicContact CG-CB 3.94Å; Q406-Q1003 HydrophobicContact CG-CG 3.9Å; Q406-Q1003 PolarHBondContact NE2-O 2.68Å; A698-Q1003 PolarHBondContact O-NE2 2.77Å; A698-Q1003 PolarHBondContact O-OE1 3.35Å; Y999-Q1003 HydrophobicContact CD1-CG 4Å; Y999-Q1003 HydrophobicContact CE1-CG 3.81Å; I1000-Q1003 WeakPolarHBondContact O-CB 3.47Å; I1000-Q1003 PolarHBondContact O-N 3.1Å; I1000-Q1003 VanDerWaalsContact O-N 3.08Å |
| 1004 | H | 89.1 | Confident | 89.9 | Confident | 112 Ų | 112 | 55.5 Ų | 55.5 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 7.8 | 179.2 | -65.1 | -66.2 | 0 | 0 | 0 | 114.4 | I1000 G1002 L1006 | I1000-H1004 PolarHBondContact O-CD2 2.89Å; I1000-H1004 PolarHBondContact O-N 2.91Å; G1002-H1004 VanDerWaalsContact C-N 3.27Å; G1002-H1004 PolarHBondContact O-N 3.34Å; H1004-L1006 VanDerWaalsContact C-N 3.28Å; H1004-L1006 HydrophobicContact CB-CD2 4.19Å; H1004-L1006 HydrophobicContact CB-CG 3.97Å; H1004-L1006 PolarHBondContact O-N 3.12Å |
| 1005 | N | 88.6 | Confident | 90.1 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 39.4 | -178.9 | -61.5 | -50.2 | 0 | 0 | 0 | 114.5 | Q404 Y924 P1001 G1002 | Q404-N1005 PolarHBondContact NE2-OD1 3.19Å; Y924-N1005 WeakPolarHBondContact OH-CA 3.27Å; Y924-N1005 PolarHBondContact OH-OD1 3.11Å; P1001-N1005 PolarHBondContact O-N 3.16Å; G1002-N1005 PolarHBondContact O-N 3.27Å |
| 1006 | L | 87.8 | Confident | 90.2 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 52% | 0.518 | 26% | 0.256 | S | S | . | . | trans | -73.9 | -29.2 | -175.8 | -62.4 | -177.8 | 0 | 0 | 0 | 112.8 | P1001 H1004 | P1001-L1006 HydrophobicContact CB-CB 4.31Å; P1001-L1006 HydrophobicContact CB-CD1 4.14Å; P1001-L1006 PolarHBondContact O-N 3.28Å; H1004-L1006 VanDerWaalsContact C-N 3.28Å; H1004-L1006 HydrophobicContact CB-CD2 4.19Å; H1004-L1006 HydrophobicContact CB-CG 3.97Å; H1004-L1006 PolarHBondContact O-N 3.12Å | ||
| 1007 | H | 85.5 | Confident | 90.3 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -77.8 | -28.2 | -177.7 | -70.8 | -62.3 | 0 | 0 | 0 | 113.7 | Y924 Y925 C928 | Y924-H1007 HydrophobicContact CE1-CB 3.92Å; Y924-H1007 AromaticContact CE1-CD2 3.87Å; Y925-H1007 AromaticContact CD2-CE1 3.86Å; C928-H1007 HydrophobicContact CB-CB 3.8Å |
| 1008 | F | 87 | Confident | 90.4 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.044 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -145.6 | 105.9 | 176.9 | -163.5 | -107.6 | 0 | 0 | 0 | 110.7 | F284 L288 C928 L931 F935 | F284-F1008 AromaticContact CD1-CD1 3.86Å; F284-F1008 HydrophobicContact CD1-CD1 3.86Å; F284-F1008 AromaticContact CD1-CE1 3.76Å; F284-F1008 HydrophobicContact CD1-CE1 3.76Å; F284-F1008 AromaticContact CE1-CD1 3.65Å; F284-F1008 HydrophobicContact CE1-CD1 3.65Å; F284-F1008 AromaticContact CE1-CE1 3.51Å; F284-F1008 HydrophobicContact CE1-CE1 3.51Å; F284-F1008 HydrophobicContact CE1-CZ 4.48Å; L288-F1008 HydrophobicContact CD1-CE1 3.74Å; L288-F1008 HydrophobicContact CD1-CZ 3.84Å; C928-F1008 HydrophobicContact CB-CB 3.79Å; C928-F1008 VanDerWaalsContact SG-CB 3.5Å; L931-F1008 HydrophobicContact CB-CD2 4.3Å; L931-F1008 HydrophobicContact CB-CE1 4.35Å; L931-F1008 HydrophobicContact CB-CE2 3.8Å; L931-F1008 HydrophobicContact CB-CZ 3.84Å; L931-F1008 HydrophobicContact CD1-CD1 4.22Å; L931-F1008 HydrophobicContact CD1-CE1 4.01Å; L931-F1008 HydrophobicContact CD1-CZ 4.33Å; F935-F1008 HydrophobicContact CD2-CZ 4.2Å; F935-F1008 HydrophobicContact CE2-CZ 4.07Å |
| 1009 | N | 90.3 | Very high | 90.5 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -139.1 | 178 | 176.1 | 60 | 43.8 | 0 | 0 | 0 | 109.4 | R1011 V1012 F1013 | N1009-R1011 PolarHBondContact O-N 3.24Å; N1009-R1011 WeakPolarHBondContact OD1-CA 3.28Å; N1009-R1011 VanDerWaalsContact OD1-CB 3.32Å; N1009-R1011 WeakPolarHBondContact OD1-CB 3.15Å; N1009-R1011 PolarHBondContact OD1-N 3.45Å; N1009-V1012 PolarHBondContact O-N 3.34Å; N1009-V1012 PolarHBondContact OD1-N 3.39Å; N1009-F1013 PolarHBondContact O-N 3.29Å |
| 1010 | M | 89.7 | Confident | 90.5 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 48% | 0.478 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -33.2 | -178.2 | -167.7 | 58.9 | 118.4 | 0 | 0 | 112.7 | F284 L288 F1013 T1014 | F284-M1010 HydrophobicContact CZ-CB 4.46Å; L288-M1010 HydrophobicContact CD2-CE 4Å; L288-M1010 HydrophobicContact CD2-SD 3.57Å; L288-M1010 VanDerWaalsContact CD2-SD 3.57Å; M1010-F1013 PolarHBondContact O-N 2.94Å; M1010-F1013 HydrophobicContact SD-CD1 3.79Å; M1010-T1014 WeakPolarHBondContact O-CB 3.48Å; M1010-T1014 PolarHBondContact O-N 3.47Å; M1010-T1014 PolarHBondContact O-OG1 3.33Å |
| 1011 | R | 91.9 | Very high | 90.5 | Very high | 194 Ų | 194 | 58.1 Ų | 58.1 | 73% | 0.732 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.7 | -45.6 | 178.2 | -60.3 | 179.3 | 175.8 | 176.7 | -4.2 | 111.7 | N1009 F1013 T1014 H1015 | N1009-R1011 PolarHBondContact O-N 3.24Å; N1009-R1011 WeakPolarHBondContact OD1-CA 3.28Å; N1009-R1011 VanDerWaalsContact OD1-CB 3.32Å; N1009-R1011 WeakPolarHBondContact OD1-CB 3.15Å; N1009-R1011 PolarHBondContact OD1-N 3.45Å; R1011-F1013 VanDerWaalsContact C-N 3.33Å; R1011-T1014 PolarHBondContact O-N 3.41Å; R1011-H1015 WeakPolarHBondContact O-CB 3.43Å; R1011-H1015 PolarHBondContact O-N 2.88Å |
| 1012 | V | 90.7 | Very high | 90.7 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | Q932 N1009 H1015 S1016 | Q932-V1012 HydrophobicContact CG-CG1 3.96Å; N1009-V1012 PolarHBondContact O-N 3.34Å; N1009-V1012 PolarHBondContact OD1-N 3.39Å; V1012-H1015 WeakPolarHBondContact O-CB 3.43Å; V1012-H1015 PolarHBondContact O-N 3.26Å; V1012-S1016 PolarHBondContact O-N 3.25Å |
| 1013 | F | 91 | Very high | 90.8 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -51 | 174.2 | 172.1 | -100.9 | 0 | 0 | 0 | 111.8 | L288 I292 F935 F939 N1009 M1010 R1011 H1015 S1016 V1017 | L288-F1013 HydrophobicContact CD1-CD2 3.93Å; L288-F1013 HydrophobicContact CD1-CE2 4.31Å; L288-F1013 HydrophobicContact CD1-CG 4.19Å; L288-F1013 HydrophobicContact CD2-CB 4.41Å; L288-F1013 HydrophobicContact CD2-CD1 3.69Å; L288-F1013 HydrophobicContact CD2-CD2 4.24Å; L288-F1013 HydrophobicContact CD2-CE1 3.96Å; L288-F1013 HydrophobicContact CD2-CE2 4.47Å; L288-F1013 HydrophobicContact CD2-CG 3.84Å; L288-F1013 HydrophobicContact CD2-CZ 4.34Å; I292-F1013 HydrophobicContact CD1-CE2 4.16Å; I292-F1013 HydrophobicContact CD1-CZ 3.93Å; I292-F1013 HydrophobicContact CG1-CZ 3.96Å; F935-F1013 HydrophobicContact CB-CE2 4.28Å; F935-F1013 AromaticContact CD1-CE2 3.94Å; F935-F1013 HydrophobicContact CD1-CE2 3.94Å; F935-F1013 AromaticContact CD2-CD2 3.93Å; F935-F1013 HydrophobicContact CD2-CD2 3.93Å; F935-F1013 AromaticContact CD2-CE2 3.94Å; F935-F1013 HydrophobicContact CD2-CE2 3.94Å; F935-F1013 HydrophobicContact CE1-CE2 4.24Å; F935-F1013 HydrophobicContact CE2-CD2 4.31Å; F935-F1013 HydrophobicContact CE2-CE2 4.24Å; F935-F1013 HydrophobicContact CG-CD2 4.15Å; F935-F1013 AromaticContact CG-CE2 3.79Å; F935-F1013 HydrophobicContact CG-CE2 3.79Å; F935-F1013 HydrophobicContact CZ-CE2 4.37Å; F939-F1013 HydrophobicContact CE2-CZ 4.49Å; N1009-F1013 PolarHBondContact O-N 3.29Å; M1010-F1013 PolarHBondContact O-N 2.94Å; M1010-F1013 HydrophobicContact SD-CD1 3.79Å; R1011-F1013 VanDerWaalsContact C-N 3.33Å; F1013-H1015 VanDerWaalsContact C-N 3.26Å; F1013-H1015 PolarHBondContact O-N 3.12Å; F1013-S1016 WeakPolarHBondContact O-CB 3.44Å; F1013-S1016 PolarHBondContact O-N 3.48Å; F1013-S1016 VanDerWaalsContact O-N 3.08Å; F1013-V1017 HydrophobicContact CD1-CG2 4.22Å; F1013-V1017 HydrophobicContact CD2-CG2 4.37Å; F1013-V1017 HydrophobicContact CE1-CG2 3.76Å; F1013-V1017 HydrophobicContact CE2-CG2 3.92Å; F1013-V1017 HydrophobicContact CZ-CG2 3.6Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.46Å; F1013-V1017 PolarHBondContact O-N 3.15Å |
| 1014 | T | 91.8 | Very high | 91.1 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 177.1 | -57 | 0 | 0 | 0 | 0 | 111.6 | M1010 R1011 V1017 L1018 | M1010-T1014 WeakPolarHBondContact O-CB 3.48Å; M1010-T1014 PolarHBondContact O-N 3.47Å; M1010-T1014 PolarHBondContact O-OG1 3.33Å; R1011-T1014 PolarHBondContact O-N 3.41Å; T1014-V1017 PolarHBondContact O-N 2.95Å; T1014-L1018 HydrophobicContact CG2-CD1 4.14Å; T1014-L1018 HydrophobicContact CG2-CG 4.39Å; T1014-L1018 VanDerWaalsContact O-CG 3.32Å; T1014-L1018 WeakPolarHBondContact O-CG 2.89Å; T1014-L1018 PolarHBondContact O-N 2.94Å |
| 1015 | H | 91.3 | Very high | 91.3 | Very high | 94 Ų | 94 | 56.3 Ų | 56.3 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 173.7 | -179.4 | 64.3 | 0 | 0 | 0 | 111.9 | R1011 V1012 F1013 V1017 L1018 C1019 | R1011-H1015 WeakPolarHBondContact O-CB 3.43Å; R1011-H1015 PolarHBondContact O-N 2.88Å; V1012-H1015 WeakPolarHBondContact O-CB 3.43Å; V1012-H1015 PolarHBondContact O-N 3.26Å; F1013-H1015 VanDerWaalsContact C-N 3.26Å; F1013-H1015 PolarHBondContact O-N 3.12Å; H1015-V1017 VanDerWaalsContact C-N 3.32Å; H1015-V1017 PolarHBondContact O-N 2.91Å; H1015-L1018 PolarHBondContact O-N 3.47Å; H1015-C1019 VanDerWaalsContact CE1-SG 3.57Å; H1015-C1019 WeakPolarHBondContact O-CB 2.99Å; H1015-C1019 PolarHBondContact O-N 3.45Å; H1015-C1019 PolarHBondContact O-SG 3.23Å; H1015-C1019 VanDerWaalsContact O-SG 3.33Å |
| 1016 | S | 90.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 174 | -75.3 | 0 | 0 | 0 | 0 | 113.4 | Q932 V1012 F1013 G1020 | Q932-S1016 WeakPolarHBondContact CG-OG 3.42Å; Q932-S1016 PolarHBondContact O-OG 2.85Å; Q932-S1016 VanDerWaalsContact O-OG 3.09Å; V1012-S1016 PolarHBondContact O-N 3.25Å; F1013-S1016 WeakPolarHBondContact O-CB 3.44Å; F1013-S1016 PolarHBondContact O-N 3.48Å; F1013-S1016 VanDerWaalsContact O-N 3.08Å; S1016-G1020 PolarHBondContact O-N 3.21Å |
| 1017 | V | 91.1 | Very high | 91.9 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | F939 F1013 T1014 H1015 C1019 G1020 F1021 | F939-V1017 HydrophobicContact CD1-CG1 4.27Å; F939-V1017 HydrophobicContact CD2-CG2 4.01Å; F939-V1017 HydrophobicContact CE1-CG1 4.09Å; F939-V1017 HydrophobicContact CE2-CG1 4.45Å; F939-V1017 HydrophobicContact CE2-CG2 3.61Å; F939-V1017 HydrophobicContact CZ-CG1 4.19Å; F939-V1017 HydrophobicContact CZ-CG2 3.93Å; F1013-V1017 HydrophobicContact CD1-CG2 4.22Å; F1013-V1017 HydrophobicContact CD2-CG2 4.37Å; F1013-V1017 HydrophobicContact CE1-CG2 3.76Å; F1013-V1017 HydrophobicContact CE2-CG2 3.92Å; F1013-V1017 HydrophobicContact CZ-CG2 3.6Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.46Å; F1013-V1017 PolarHBondContact O-N 3.15Å; T1014-V1017 PolarHBondContact O-N 2.95Å; H1015-V1017 VanDerWaalsContact C-N 3.32Å; H1015-V1017 PolarHBondContact O-N 2.91Å; V1017-C1019 PolarHBondContact O-N 2.74Å; V1017-G1020 PolarHBondContact O-N 2.72Å; V1017-F1021 WeakPolarHBondContact O-CB 3.3Å; V1017-F1021 PolarHBondContact O-N 2.68Å |
| 1018 | L | 92.9 | Very high | 92.3 | Very high | 110 Ų | 110 | 46.1 Ų | 46.1 | 58% | 0.576 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -62.9 | -42.1 | 177.8 | -70.8 | 172.8 | 0 | 0 | 0 | 111.9 | T1014 H1015 F1021 F1022 | T1014-L1018 HydrophobicContact CG2-CD1 4.14Å; T1014-L1018 HydrophobicContact CG2-CG 4.39Å; T1014-L1018 VanDerWaalsContact O-CG 3.32Å; T1014-L1018 WeakPolarHBondContact O-CG 2.89Å; T1014-L1018 PolarHBondContact O-N 2.94Å; H1015-L1018 PolarHBondContact O-N 3.47Å; L1018-F1021 PolarHBondContact O-N 3.43Å; L1018-F1022 PolarHBondContact O-N 3.26Å |
| 1019 | C | 93.1 | Very high | 92.5 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 172.7 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | Y936 H1015 V1017 F1021 F1022 T1023 | Y936-C1019 HydrophobicContact CD2-CB 3.93Å; Y936-C1019 HydrophobicContact CE2-CB 4.08Å; H1015-C1019 VanDerWaalsContact CE1-SG 3.57Å; H1015-C1019 WeakPolarHBondContact O-CB 2.99Å; H1015-C1019 PolarHBondContact O-N 3.45Å; H1015-C1019 PolarHBondContact O-SG 3.23Å; H1015-C1019 VanDerWaalsContact O-SG 3.33Å; V1017-C1019 PolarHBondContact O-N 2.74Å; C1019-F1021 VanDerWaalsContact C-N 3.33Å; C1019-F1021 PolarHBondContact O-N 3.14Å; C1019-F1022 PolarHBondContact O-N 2.86Å; C1019-T1023 WeakPolarHBondContact O-CB 3.45Å; C1019-T1023 PolarHBondContact O-N 3.3Å; C1019-T1023 PolarHBondContact O-OG1 2.82Å |
| 1020 | G | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A940 S1016 V1017 T1023 S1024 | A940-G1020 WeakPolarHBondContact CA-O 3.48Å; S1016-G1020 PolarHBondContact O-N 3.21Å; V1017-G1020 PolarHBondContact O-N 2.72Å; G1020-T1023 PolarHBondContact O-N 2.7Å; G1020-S1024 WeakPolarHBondContact O-CB 3.26Å; G1020-S1024 PolarHBondContact O-N 3.49Å; G1020-S1024 PolarHBondContact O-OG 3.35Å |
| 1021 | F | 93 | Very high | 92.4 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 37% | 0.368 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -50.1 | 174.3 | -172.8 | -86.9 | 0 | 0 | 0 | 111.5 | L943 W947 V1017 L1018 C1019 S1024 G1025 | L943-F1021 HydrophobicContact CD1-CB 3.93Å; L943-F1021 HydrophobicContact CD1-CD2 3.66Å; L943-F1021 HydrophobicContact CD1-CG 4.19Å; W947-F1021 AromaticContact CH2-CE1 3.71Å; W947-F1021 HydrophobicContact CH2-CE1 3.71Å; W947-F1021 HydrophobicContact CH2-CE2 4.06Å; W947-F1021 AromaticContact CH2-CZ 3.31Å; W947-F1021 HydrophobicContact CH2-CZ 3.31Å; W947-F1021 HydrophobicContact CZ2-CD1 4.13Å; W947-F1021 HydrophobicContact CZ2-CD2 4.32Å; W947-F1021 AromaticContact CZ2-CE1 3.52Å; W947-F1021 HydrophobicContact CZ2-CE1 3.52Å; W947-F1021 AromaticContact CZ2-CE2 3.72Å; W947-F1021 HydrophobicContact CZ2-CE2 3.72Å; W947-F1021 AromaticContact CZ2-CZ 3.29Å; W947-F1021 HydrophobicContact CZ2-CZ 3.29Å; V1017-F1021 WeakPolarHBondContact O-CB 3.3Å; V1017-F1021 PolarHBondContact O-N 2.68Å; L1018-F1021 PolarHBondContact O-N 3.43Å; C1019-F1021 VanDerWaalsContact C-N 3.33Å; C1019-F1021 PolarHBondContact O-N 3.14Å; F1021-S1024 PolarHBondContact O-N 2.82Å; F1021-S1024 PolarHBondContact O-OG 2.89Å; F1021-G1025 PolarHBondContact O-N 2.85Å; F1021-G1025 VanDerWaalsContact O-N 3.12Å |
| 1022 | F | 94 | Very high | 92.1 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 48% | 0.482 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -48 | 176.2 | -179.4 | -103.2 | 0 | 0 | 0 | 112 | L1018 C1019 S1024 G1025 V1026 L1135 | L1018-F1022 PolarHBondContact O-N 3.26Å; C1019-F1022 PolarHBondContact O-N 2.86Å; F1022-S1024 VanDerWaalsContact C-N 3.34Å; F1022-S1024 PolarHBondContact O-N 2.69Å; F1022-G1025 PolarHBondContact O-N 2.99Å; F1022-V1026 HydrophobicContact CD1-CG2 4.39Å; F1022-V1026 HydrophobicContact CE1-CG2 3.97Å; F1022-V1026 HydrophobicContact CE2-CG2 4.17Å; F1022-V1026 HydrophobicContact CZ-CG2 3.84Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.42Å; F1022-V1026 PolarHBondContact O-N 2.98Å; F1022-V1026 VanDerWaalsContact O-N 3.1Å; F1022-L1135 HydrophobicContact CD1-CD2 4.01Å; F1022-L1135 HydrophobicContact CE1-CD2 3.87Å |
| 1023 | T | 94.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.8 | -46.2 | 177.2 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | Y936 A940 C1019 G1020 G1025 V1026 L1027 T1064 L1135 | Y936-T1023 HydrophobicContact CE2-CG2 4.31Å; Y936-T1023 WeakPolarHBondContact CE2-OG1 3.37Å; Y936-T1023 WeakPolarHBondContact OH-CG2 3.43Å; Y936-T1023 PolarHBondContact OH-OG1 2.98Å; Y936-T1023 VanDerWaalsContact OH-OG1 3.05Å; A940-T1023 HydrophobicContact CB-CG2 3.65Å; C1019-T1023 WeakPolarHBondContact O-CB 3.45Å; C1019-T1023 PolarHBondContact O-N 3.3Å; C1019-T1023 PolarHBondContact O-OG1 2.82Å; G1020-T1023 PolarHBondContact O-N 2.7Å; T1023-G1025 VanDerWaalsContact C-N 3.33Å; T1023-G1025 PolarHBondContact O-N 3.5Å; T1023-V1026 PolarHBondContact O-N 3.42Å; T1023-L1027 HydrophobicContact CG2-CD1 3.72Å; T1023-L1027 HydrophobicContact CG2-CG 4.31Å; T1023-L1027 VanDerWaalsContact O-CB 3.3Å; T1023-L1027 WeakPolarHBondContact O-CB 3.3Å; T1023-L1027 WeakPolarHBondContact O-CG 3.36Å; T1023-L1027 PolarHBondContact O-N 3.31Å; T1023-T1064 HydrophobicContact CG2-CG2 4.41Å; T1023-L1135 HydrophobicContact CG2-CD1 4.08Å |
| 1024 | S | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | 178.5 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | A940 L943 W947 G1020 F1021 F1022 F1028 | A940-S1024 WeakPolarHBondContact O-CB 3.35Å; L943-S1024 WeakPolarHBondContact CB-OG 3.35Å; W947-S1024 PolarHBondContact NE1-OG 3.09Å; G1020-S1024 WeakPolarHBondContact O-CB 3.26Å; G1020-S1024 PolarHBondContact O-N 3.49Å; G1020-S1024 PolarHBondContact O-OG 3.35Å; F1021-S1024 PolarHBondContact O-N 2.82Å; F1021-S1024 PolarHBondContact O-OG 2.89Å; F1022-S1024 VanDerWaalsContact C-N 3.34Å; F1022-S1024 PolarHBondContact O-N 2.69Å; S1024-F1028 WeakPolarHBondContact O-CB 3.4Å; S1024-F1028 PolarHBondContact O-N 3.43Å; S1024-F1028 VanDerWaalsContact O-N 3.07Å |
| 1025 | G | 94.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -49.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1021 F1022 T1023 L1027 F1028 F1029 | F1021-G1025 PolarHBondContact O-N 2.85Å; F1021-G1025 VanDerWaalsContact O-N 3.12Å; F1022-G1025 PolarHBondContact O-N 2.99Å; T1023-G1025 VanDerWaalsContact C-N 3.33Å; T1023-G1025 PolarHBondContact O-N 3.5Å; G1025-L1027 PolarHBondContact O-N 3.02Å; G1025-F1028 PolarHBondContact O-N 3.27Å; G1025-F1029 WeakPolarHBondContact O-CB 3.44Å; G1025-F1029 WeakPolarHBondContact O-CD2 3.11Å; G1025-F1029 PolarHBondContact O-N 2.93Å |
| 1026 | V | 94.6 | Very high | 89.5 | Confident | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | F1022 T1023 F1028 I1030 I1131 L1134 L1135 | F1022-V1026 HydrophobicContact CD1-CG2 4.39Å; F1022-V1026 HydrophobicContact CE1-CG2 3.97Å; F1022-V1026 HydrophobicContact CE2-CG2 4.17Å; F1022-V1026 HydrophobicContact CZ-CG2 3.84Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.42Å; F1022-V1026 PolarHBondContact O-N 2.98Å; F1022-V1026 VanDerWaalsContact O-N 3.1Å; T1023-V1026 PolarHBondContact O-N 3.42Å; V1026-F1028 PolarHBondContact O-N 3.48Å; V1026-I1030 HydrophobicContact CG1-CD1 3.53Å; V1026-I1030 HydrophobicContact CG1-CG1 4.2Å; V1026-I1030 WeakPolarHBondContact O-CB 3.23Å; V1026-I1030 WeakPolarHBondContact O-CG1 3.49Å; V1026-I1030 PolarHBondContact O-N 3.4Å; V1026-I1131 HydrophobicContact CG1-CG2 4.46Å; V1026-L1134 HydrophobicContact CG1-CD2 3.83Å; V1026-L1135 HydrophobicContact CB-CD1 4.24Å; V1026-L1135 HydrophobicContact CB-CD2 3.75Å; V1026-L1135 HydrophobicContact CB-CG 4.21Å; V1026-L1135 HydrophobicContact CG1-CD1 3.96Å; V1026-L1135 HydrophobicContact CG1-CD2 3.86Å; V1026-L1135 HydrophobicContact CG1-CG 3.82Å; V1026-L1135 HydrophobicContact CG2-CD2 3.85Å |
| 1027 | L | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -34.9 | 177.5 | -79.6 | 170.3 | 0 | 0 | 0 | 112.6 | T1023 G1025 P1031 A1060 L1061 I1131 L1135 | T1023-L1027 HydrophobicContact CG2-CD1 3.72Å; T1023-L1027 HydrophobicContact CG2-CG 4.31Å; T1023-L1027 VanDerWaalsContact O-CB 3.3Å; T1023-L1027 WeakPolarHBondContact O-CB 3.3Å; T1023-L1027 WeakPolarHBondContact O-CG 3.36Å; T1023-L1027 PolarHBondContact O-N 3.31Å; G1025-L1027 PolarHBondContact O-N 3.02Å; L1027-P1031 WeakPolarHBondContact O-CD 3.27Å; L1027-P1031 VanDerWaalsContact O-CG 3.29Å; L1027-P1031 WeakPolarHBondContact O-CG 3.28Å; L1027-A1060 HydrophobicContact CD2-CB 3.85Å; L1027-L1061 HydrophobicContact CD1-CB 4.07Å; L1027-L1061 HydrophobicContact CD1-CD1 3.5Å; L1027-L1061 HydrophobicContact CD1-CG 4.39Å; L1027-L1061 HydrophobicContact CD2-CB 4.22Å; L1027-I1131 HydrophobicContact CD2-CG2 3.77Å; L1027-L1135 HydrophobicContact CD2-CD1 4.4Å; L1027-L1135 HydrophobicContact CG-CD1 4.15Å |
| 1028 | F | 92.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -83.6 | -56.5 | 179.9 | 176.8 | -96.4 | 0 | 0 | 0 | 112.1 | W947 F948 F951 I959 S1024 G1025 V1026 I1030 F1032 I1057 | W947-F1028 HydrophobicContact CB-CB 4.12Å; W947-F1028 HydrophobicContact CB-CD1 3.57Å; W947-F1028 HydrophobicContact CB-CD2 4.28Å; W947-F1028 HydrophobicContact CB-CE1 4.07Å; W947-F1028 HydrophobicContact CB-CG 3.7Å; W947-F1028 HydrophobicContact CG-CD1 4.46Å; F948-F1028 HydrophobicContact CB-CD2 4.43Å; F948-F1028 HydrophobicContact CB-CE2 3.7Å; F948-F1028 HydrophobicContact CB-CZ 4.22Å; F948-F1028 AromaticContact CD2-CE2 3.88Å; F948-F1028 HydrophobicContact CD2-CE2 3.88Å; F948-F1028 HydrophobicContact CD2-CZ 4.16Å; F948-F1028 HydrophobicContact CG-CE2 4.24Å; F951-F1028 AromaticContact CD2-CE1 3.67Å; F951-F1028 HydrophobicContact CD2-CE1 3.67Å; F951-F1028 AromaticContact CD2-CZ 3.6Å; F951-F1028 HydrophobicContact CD2-CZ 3.6Å; F951-F1028 AromaticContact CE2-CE1 3.47Å; F951-F1028 HydrophobicContact CE2-CE1 3.47Å; F951-F1028 VanDerWaalsContact CE2-CE1 3.47Å; F951-F1028 AromaticContact CE2-CZ 3.93Å; F951-F1028 HydrophobicContact CE2-CZ 3.93Å; F951-F1028 HydrophobicContact CG-CZ 4.43Å; F951-F1028 HydrophobicContact CZ-CE1 4.38Å; I959-F1028 HydrophobicContact CD1-CD2 3.6Å; I959-F1028 HydrophobicContact CD1-CE2 3.64Å; S1024-F1028 WeakPolarHBondContact O-CB 3.4Å; S1024-F1028 PolarHBondContact O-N 3.43Å; S1024-F1028 VanDerWaalsContact O-N 3.07Å; G1025-F1028 PolarHBondContact O-N 3.27Å; V1026-F1028 PolarHBondContact O-N 3.48Å; F1028-I1030 PolarHBondContact O-N 3.37Å; F1028-F1032 HydrophobicContact CE1-CG 4.46Å; F1028-F1032 HydrophobicContact CZ-CD2 4.17Å; F1028-F1032 HydrophobicContact CZ-CG 4.29Å; F1028-F1032 WeakPolarHBondContact O-CB 3.48Å; F1028-F1032 PolarHBondContact O-N 3.47Å; F1028-I1057 HydrophobicContact CD2-CD1 4.11Å |
| 1029 | F | 92.1 | Very high | 85.7 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 37% | 0.368 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69 | -33.4 | -169.4 | -72.3 | -66.3 | 0 | 0 | 0 | 113.4 | W947 F951 G1025 A1033 | W947-F1029 HydrophobicContact CD2-CE2 4.06Å; W947-F1029 HydrophobicContact CD2-CZ 4.4Å; W947-F1029 AromaticContact CE3-CE2 3.92Å; W947-F1029 HydrophobicContact CE3-CE2 3.92Å; W947-F1029 AromaticContact CE3-CZ 3.94Å; W947-F1029 HydrophobicContact CE3-CZ 3.94Å; W947-F1029 HydrophobicContact CG-CE2 4.42Å; W947-F1029 HydrophobicContact CZ3-CE2 4.36Å; W947-F1029 HydrophobicContact CZ3-CZ 4.49Å; F951-F1029 AromaticContact CE2-CE1 3.83Å; F951-F1029 HydrophobicContact CE2-CE1 3.83Å; F951-F1029 AromaticContact CZ-CE1 3.88Å; F951-F1029 HydrophobicContact CZ-CE1 3.88Å; G1025-F1029 WeakPolarHBondContact O-CB 3.44Å; G1025-F1029 WeakPolarHBondContact O-CD2 3.11Å; G1025-F1029 PolarHBondContact O-N 2.93Å; F1029-A1033 WeakPolarHBondContact O-CB 3.44Å; F1029-A1033 PolarHBondContact O-N 2.92Å |
| 1030 | I | 90.7 | Very high | 84.3 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.1 | -56.1 | -178.2 | -64.1 | -174.9 | 0 | 0 | 0 | 111.7 | V1026 F1028 F1032 A1033 A1034 L1130 I1131 L1134 | V1026-I1030 HydrophobicContact CG1-CD1 3.53Å; V1026-I1030 HydrophobicContact CG1-CG1 4.2Å; V1026-I1030 WeakPolarHBondContact O-CB 3.23Å; V1026-I1030 WeakPolarHBondContact O-CG1 3.49Å; V1026-I1030 PolarHBondContact O-N 3.4Å; F1028-I1030 PolarHBondContact O-N 3.37Å; I1030-F1032 VanDerWaalsContact C-N 3.29Å; I1030-F1032 PolarHBondContact O-N 3.39Å; I1030-A1033 PolarHBondContact O-N 3.34Å; I1030-A1034 WeakPolarHBondContact O-CB 3.37Å; I1030-A1034 PolarHBondContact O-N 3Å; I1030-L1130 HydrophobicContact CG2-CD2 4.24Å; I1030-I1131 HydrophobicContact CB-CD1 4.19Å; I1030-I1131 HydrophobicContact CB-CG1 3.94Å; I1030-I1131 HydrophobicContact CD1-CG1 4.16Å; I1030-I1131 HydrophobicContact CG2-CD1 4.03Å; I1030-I1131 HydrophobicContact CG2-CG1 3.74Å; I1030-L1134 HydrophobicContact CD1-CD2 3.6Å |
| 1031 | P | 87.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 175.8 | -25.7 | 37.1 | 0 | 0 | 0 | 112.7 | L1027 A1033 A1034 M1035 T1056 I1057 I1131 | L1027-P1031 WeakPolarHBondContact O-CD 3.27Å; L1027-P1031 VanDerWaalsContact O-CG 3.29Å; L1027-P1031 WeakPolarHBondContact O-CG 3.28Å; P1031-A1033 PolarHBondContact O-N 2.94Å; P1031-A1034 PolarHBondContact O-N 3.45Å; P1031-M1035 VanDerWaalsContact O-CB 3.26Å; P1031-M1035 WeakPolarHBondContact O-CB 3.5Å; P1031-M1035 WeakPolarHBondContact O-CG 3.2Å; P1031-M1035 PolarHBondContact O-N 2.88Å; P1031-T1056 HydrophobicContact CB-CG2 4.11Å; P1031-T1056 HydrophobicContact CG-CG2 4.41Å; P1031-I1057 HydrophobicContact CB-CD1 4.44Å; P1031-I1057 HydrophobicContact CB-CG1 3.61Å; P1031-I1057 HydrophobicContact CG-CG1 3.75Å; P1031-I1131 HydrophobicContact CG-CD1 3.42Å; P1031-I1131 VanDerWaalsContact CG-CD1 3.42Å |
| 1032 | F | 85.5 | Confident | 81.4 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 32% | 0.32 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -46 | 178.7 | -172.4 | -96.7 | 0 | 0 | 0 | 111.6 | F951 F1028 I1030 G1036 V1053 | F951-F1032 HydrophobicContact CB-CZ 4.46Å; F951-F1032 AromaticContact CD1-CE1 3.87Å; F951-F1032 HydrophobicContact CD1-CE1 3.87Å; F951-F1032 AromaticContact CD1-CZ 3.82Å; F951-F1032 HydrophobicContact CD1-CZ 3.82Å; F951-F1032 AromaticContact CE1-CE1 3.87Å; F951-F1032 HydrophobicContact CE1-CE1 3.87Å; F951-F1032 HydrophobicContact CE1-CZ 4.3Å; F951-F1032 HydrophobicContact CG-CE1 4.42Å; F951-F1032 HydrophobicContact CG-CZ 4.13Å; F951-F1032 HydrophobicContact CZ-CE1 4.43Å; F1028-F1032 HydrophobicContact CE1-CG 4.46Å; F1028-F1032 HydrophobicContact CZ-CD2 4.17Å; F1028-F1032 HydrophobicContact CZ-CG 4.29Å; F1028-F1032 WeakPolarHBondContact O-CB 3.48Å; F1028-F1032 PolarHBondContact O-N 3.47Å; I1030-F1032 VanDerWaalsContact C-N 3.29Å; I1030-F1032 PolarHBondContact O-N 3.39Å; F1032-G1036 PolarHBondContact O-N 2.92Å; F1032-V1053 HydrophobicContact CD2-CG1 4.4Å |
| 1033 | A | 85 | Confident | 79.9 | Confident | 76 Ų | 76 | 53 Ų | 53 | 63% | 0.628 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.8 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1029 I1030 P1031 M1035 | F1029-A1033 WeakPolarHBondContact O-CB 3.44Å; F1029-A1033 PolarHBondContact O-N 2.92Å; I1030-A1033 PolarHBondContact O-N 3.34Å; P1031-A1033 PolarHBondContact O-N 2.94Å; A1033-M1035 VanDerWaalsContact C-N 3.28Å; A1033-M1035 PolarHBondContact O-N 3.46Å |
| 1034 | A | 81.3 | Confident | 78.3 | Confident | 40 Ų | 40 | 59 Ų | 59 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69 | -24.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1030 P1031 N1038 | I1030-A1034 WeakPolarHBondContact O-CB 3.37Å; I1030-A1034 PolarHBondContact O-N 3Å; P1031-A1034 PolarHBondContact O-N 3.45Å; A1034-N1038 VanDerWaalsContact O-CG 3.24Å; A1034-N1038 PolarHBondContact O-ND2 2.89Å; A1034-N1038 PolarHBondContact O-OD1 2.83Å |
| 1035 | M | 75.7 | Confident | 76.5 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 11% | 0.108 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -105.7 | -16.7 | -178 | -63.9 | -170.3 | 148.9 | 0 | 0 | 114.3 | P1031 A1033 E1037 N1038 V1053 T1056 M1118 | P1031-M1035 VanDerWaalsContact O-CB 3.26Å; P1031-M1035 WeakPolarHBondContact O-CB 3.5Å; P1031-M1035 WeakPolarHBondContact O-CG 3.2Å; P1031-M1035 PolarHBondContact O-N 2.88Å; A1033-M1035 VanDerWaalsContact C-N 3.28Å; A1033-M1035 PolarHBondContact O-N 3.46Å; M1035-E1037 PolarHBondContact O-N 3.01Å; M1035-E1037 VanDerWaalsContact O-N 3.12Å; M1035-N1038 PolarHBondContact O-N 3.3Å; M1035-V1053 HydrophobicContact CB-CG2 3.87Å; M1035-V1053 HydrophobicContact SD-CG2 4.15Å; M1035-T1056 HydrophobicContact CE-CG2 3.88Å; M1035-T1056 WeakPolarHBondContact CE-OG1 3.27Å; M1035-T1056 HydrophobicContact SD-CG2 4.24Å; M1035-T1056 PolarHBondContact SD-OG1 3.22Å; M1035-M1118 HydrophobicContact CE-SD 3.96Å |
| 1036 | G | 68.2 | Low | 74.6 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 58% | 0.577 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1032 | F1032-G1036 PolarHBondContact O-N 2.92Š|
| 1037 | E | 66.9 | Low | 72.5 | Confident | 179 Ų | 179 | 65.1 Ų | 65.1 | 84% | 0.836 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | 13 | -178.9 | -61.7 | -173.5 | 173.4 | 0 | 0 | 113.5 | M1035 I1039 | M1035-E1037 PolarHBondContact O-N 3.01Å; M1035-E1037 VanDerWaalsContact O-N 3.12Å; E1037-I1039 PolarHBondContact O-N 3.12Å |
| 1038 | N | 65.3 | Low | 70.6 | Confident | 39 Ų | 39 | 73.8 Ų | 73.8 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | trans | -70.7 | 126.2 | -177.2 | -86.1 | -25.8 | 0 | 0 | 0 | 111.8 | A1034 M1035 T1046 N1123 | A1034-N1038 VanDerWaalsContact O-CG 3.24Å; A1034-N1038 PolarHBondContact O-ND2 2.89Å; A1034-N1038 PolarHBondContact O-OD1 2.83Å; M1035-N1038 PolarHBondContact O-N 3.3Å; N1038-T1046 VanDerWaalsContact CB-OG1 3.23Å; N1038-T1046 WeakPolarHBondContact CB-OG1 3.24Å; N1038-T1046 PolarHBondContact O-N 2.86Å; N1038-T1046 VanDerWaalsContact O-N 3.09Å; N1038-T1046 PolarHBondContact O-OG1 3.47Å; N1038-N1123 PolarHBondContact OD1-ND2 3.01Å | ||
| 1039 | I | 62.8 | Low | 69.2 | Low | 120 Ų | 120 | 76 Ų | 76 | 62% | 0.615 | 44% | 0.442 | S | S | * | . | B | Isolated β-bridge | trans | -109.3 | 125.4 | 169.7 | -55.2 | 172.4 | 0 | 0 | 0 | 105.9 | E1037 | E1037-I1039 PolarHBondContact O-N 3.12Å |
| 1040 | D | 63.9 | Low | 68.6 | Low | 28 Ų | 28 | 74.4 Ų | 74.4 | 15% | 0.15 | 44% | 0.437 | C | S | . | . | trans | -70.2 | 172.3 | 177.8 | 71 | 15.7 | 0 | 0 | 0 | 111.7 | E1042 G1043 F1044 Y1121 | D1040-E1042 PolarHBondContact O-N 3.32Å; D1040-E1042 VanDerWaalsContact O-N 3.12Å; D1040-E1042 WeakPolarHBondContact OD1-CA 3.48Å; D1040-E1042 PolarHBondContact OD1-N 3.28Å; D1040-G1043 PolarHBondContact O-N 3.24Å; D1040-G1043 PolarHBondContact OD1-N 3.33Å; D1040-F1044 PolarHBondContact N-O 2.98Å; D1040-F1044 PolarHBondContact OD1-N 2.88Å; D1040-Y1121 HydrophobicContact CB-CE1 4.34Å | ||
| 1041 | S | 64.5 | Low | 68.1 | Low | 121 Ų | 121 | 73.5 Ų | 73.5 | 85% | 0.846 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.4 | 179.6 | 50.6 | 0 | 0 | 0 | 0 | 114 | ||
| 1042 | E | 61.4 | Low | 67.9 | Low | 150 Ų | 150 | 73.9 Ų | 73.9 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -0.4 | 177.1 | -64.5 | -169.2 | 173 | 0 | 0 | 112.2 | D1040 F1044 | D1040-E1042 PolarHBondContact O-N 3.32Å; D1040-E1042 VanDerWaalsContact O-N 3.12Å; D1040-E1042 WeakPolarHBondContact OD1-CA 3.48Å; D1040-E1042 PolarHBondContact OD1-N 3.28Å; E1042-F1044 VanDerWaalsContact C-N 3.28Å; E1042-F1044 HydrophobicContact CB-CD2 3.7Å; E1042-F1044 HydrophobicContact CB-CE2 3.93Å |
| 1043 | G | 61.8 | Low | 67.9 | Low | 55 Ų | 55 | 71.4 Ų | 71.4 | 57% | 0.567 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 82.2 | 4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1040 | D1040-G1043 PolarHBondContact O-N 3.24Å; D1040-G1043 PolarHBondContact OD1-N 3.33Å |
| 1044 | F | 60.2 | Low | 68 | Low | 132 Ų | 132 | 68.3 Ų | 68.3 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | trans | -77 | 127.1 | 169.5 | -61 | -74.7 | 0 | 0 | 0 | 107.9 | D1040 E1042 T1046 | D1040-F1044 PolarHBondContact N-O 2.98Å; D1040-F1044 PolarHBondContact OD1-N 2.88Å; E1042-F1044 VanDerWaalsContact C-N 3.28Å; E1042-F1044 HydrophobicContact CB-CD2 3.7Å; E1042-F1044 HydrophobicContact CB-CE2 3.93Å; F1044-T1046 PolarHBondContact O-N 3.02Å | ||
| 1045 | S | 58.9 | Low | 68.4 | Low | 67 Ų | 67 | 66.5 Ų | 66.5 | 47% | 0.469 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -52.8 | 119.1 | 158.6 | 54.2 | 0 | 0 | 0 | 0 | 105.8 | ||
| 1046 | T | 54.5 | Low | 69.1 | Low | 20 Ų | 20 | 65.4 Ų | 65.4 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | trans | -41.2 | 124.5 | 168.2 | -4.4 | 0 | 0 | 0 | 0 | 105.5 | N1038 F1044 Q1048 M1118 Y1121 | N1038-T1046 VanDerWaalsContact CB-OG1 3.23Å; N1038-T1046 WeakPolarHBondContact CB-OG1 3.24Å; N1038-T1046 PolarHBondContact O-N 2.86Å; N1038-T1046 VanDerWaalsContact O-N 3.09Å; N1038-T1046 PolarHBondContact O-OG1 3.47Å; F1044-T1046 PolarHBondContact O-N 3.02Å; T1046-Q1048 PolarHBondContact O-N 2.85Å; T1046-M1118 HydrophobicContact CG2-CE 4.01Å; T1046-Y1121 HydrophobicContact CG2-CE2 4.04Å | ||
| 1047 | P | 49.3 | Very low | 70.3 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | trans | -49.4 | 125.7 | -167.1 | 15.5 | -28.3 | 0 | 0 | 0 | 106.6 | A1049 | P1047-A1049 HydrophobicContact CB-CB 4.15Å; P1047-A1049 PolarHBondContact O-N 2.85Å | ||
| 1048 | Q | 54.2 | Low | 71.6 | Confident | 183 Ų | 183 | 54.3 Ų | 54.3 | 86% | 0.855 | 32% | 0.315 | S | S | * | . | trans | -58.1 | 12.6 | 178.4 | -66.9 | 175.3 | -13.6 | 0 | 0 | 112.5 | T1046 | T1046-Q1048 PolarHBondContact O-N 2.85Š| ||
| 1049 | A | 65 | Low | 72.9 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | trans | -57.9 | 138 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1047 A1051 P1052 | P1047-A1049 HydrophobicContact CB-CB 4.15Å; P1047-A1049 PolarHBondContact O-N 2.85Å; A1049-A1051 PolarHBondContact O-N 3.4Å; A1049-P1052 WeakPolarHBondContact O-CD 3.34Å | ||
| 1050 | L | 78.6 | Confident | 74.5 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.4 | -30.9 | 176.4 | -176.1 | 59.3 | 0 | 0 | 0 | 112.5 | F948 Q957 I959 V1053 S1054 | F948-L1050 HydrophobicContact CE1-CD1 4.48Å; F948-L1050 HydrophobicContact CE1-CD2 4.27Å; F948-L1050 HydrophobicContact CE2-CD1 3.67Å; F948-L1050 HydrophobicContact CZ-CD1 3.6Å; F948-L1050 HydrophobicContact CZ-CD2 3.84Å; F948-L1050 HydrophobicContact CZ-CG 4.4Å; Q957-L1050 HydrophobicContact CG-CD2 4.37Å; I959-L1050 HydrophobicContact CG1-CD1 4.5Å; L1050-V1053 PolarHBondContact O-N 3.22Å; L1050-S1054 VanDerWaalsContact O-CB 3.31Å; L1050-S1054 WeakPolarHBondContact O-CB 3.37Å; L1050-S1054 PolarHBondContact O-N 3.43Å; L1050-S1054 PolarHBondContact O-OG 2.99Å |
| 1051 | A | 80.4 | Confident | 76 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -51.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1049 V1053 S1054 F1055 N1110 T1114 | A1049-A1051 PolarHBondContact O-N 3.4Å; A1051-V1053 VanDerWaalsContact C-N 3.34Å; A1051-V1053 PolarHBondContact O-N 2.9Å; A1051-S1054 PolarHBondContact O-N 2.84Å; A1051-F1055 WeakPolarHBondContact O-CB 3.26Å; A1051-F1055 PolarHBondContact O-N 3.36Å; A1051-N1110 WeakPolarHBondContact CB-O 3.48Å; A1051-T1114 HydrophobicContact CB-CG2 4.4Å |
| 1052 | P | 82.5 | Confident | 77.4 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -48.1 | -48.8 | 170.4 | -36.6 | 38.7 | 0 | 0 | 0 | 115.1 | A1049 F1055 T1056 T1114 M1118 | A1049-P1052 WeakPolarHBondContact O-CD 3.34Å; P1052-F1055 PolarHBondContact O-N 3.11Å; P1052-T1056 PolarHBondContact O-N 2.81Å; P1052-T1056 VanDerWaalsContact O-N 3.12Å; P1052-T1056 PolarHBondContact O-OG1 2.96Å; P1052-T1114 HydrophobicContact CG-CG2 4.5Å; P1052-M1118 HydrophobicContact CB-CE 3.47Å; P1052-M1118 VanDerWaalsContact CB-CE 3.47Å; P1052-M1118 HydrophobicContact CB-CG 4.33Å; P1052-M1118 HydrophobicContact CB-SD 3.67Å; P1052-M1118 HydrophobicContact CG-CE 3.73Å |
| 1053 | V | 85.4 | Confident | 79.1 | Confident | 21 Ų | 21 | 34 Ų | 34 | 13% | 0.127 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.2 | -47.2 | -178.5 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | F1032 M1035 L1050 A1051 F1055 T1056 I1057 | F1032-V1053 HydrophobicContact CD2-CG1 4.4Å; M1035-V1053 HydrophobicContact CB-CG2 3.87Å; M1035-V1053 HydrophobicContact SD-CG2 4.15Å; L1050-V1053 PolarHBondContact O-N 3.22Å; A1051-V1053 VanDerWaalsContact C-N 3.34Å; A1051-V1053 PolarHBondContact O-N 2.9Å; V1053-F1055 VanDerWaalsContact C-N 3.33Å; V1053-F1055 PolarHBondContact O-N 3.36Å; V1053-T1056 PolarHBondContact O-N 3.01Å; V1053-I1057 HydrophobicContact CG1-CD1 3.73Å; V1053-I1057 HydrophobicContact CG1-CG1 4.31Å; V1053-I1057 VanDerWaalsContact O-CG1 3.28Å; V1053-I1057 WeakPolarHBondContact O-CG1 3.39Å; V1053-I1057 PolarHBondContact O-N 3.42Å |
| 1054 | S | 88.1 | Confident | 80.6 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 8% | 0.077 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 177 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | I959 L1050 A1051 T1056 F1058 | I959-S1054 WeakPolarHBondContact O-CB 3.49Å; I959-S1054 PolarHBondContact O-OG 2.96Å; L1050-S1054 VanDerWaalsContact O-CB 3.31Å; L1050-S1054 WeakPolarHBondContact O-CB 3.37Å; L1050-S1054 PolarHBondContact O-N 3.43Å; L1050-S1054 PolarHBondContact O-OG 2.99Å; A1051-S1054 PolarHBondContact O-N 2.84Å; S1054-T1056 VanDerWaalsContact C-N 3.34Å; S1054-F1058 WeakPolarHBondContact O-CB 3.35Å; S1054-F1058 PolarHBondContact O-N 3Å |
| 1055 | F | 89.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 177 | -176.5 | -104.2 | 0 | 0 | 0 | 111.7 | A1051 P1052 V1053 S1059 A1095 Y1099 T1114 A1115 M1118 M1119 F1124 | A1051-F1055 WeakPolarHBondContact O-CB 3.26Å; A1051-F1055 PolarHBondContact O-N 3.36Å; P1052-F1055 PolarHBondContact O-N 3.11Å; V1053-F1055 VanDerWaalsContact C-N 3.33Å; V1053-F1055 PolarHBondContact O-N 3.36Å; F1055-S1059 WeakPolarHBondContact O-CB 3.44Å; F1055-S1059 PolarHBondContact O-N 3.49Å; F1055-S1059 PolarHBondContact O-OG 3.37Å; F1055-A1095 HydrophobicContact CE2-CB 4.04Å; F1055-A1095 HydrophobicContact CZ-CB 4.45Å; F1055-Y1099 HydrophobicContact CD2-CD2 4.24Å; F1055-Y1099 AromaticContact CD2-CE2 3.62Å; F1055-Y1099 HydrophobicContact CD2-CE2 3.62Å; F1055-Y1099 HydrophobicContact CE2-CD2 4.13Å; F1055-Y1099 AromaticContact CE2-CE2 3.83Å; F1055-Y1099 HydrophobicContact CE2-CE2 3.83Å; F1055-T1114 HydrophobicContact CB-CG2 3.98Å; F1055-T1114 HydrophobicContact CG-CG2 4.38Å; F1055-A1115 HydrophobicContact CE2-CB 4.2Å; F1055-A1115 HydrophobicContact CZ-CB 4.03Å; F1055-M1118 HydrophobicContact CD1-CB 3.74Å; F1055-M1118 HydrophobicContact CD1-CG 4.09Å; F1055-M1118 HydrophobicContact CE1-CB 4.14Å; F1055-M1119 HydrophobicContact CE1-CE 4.11Å; F1055-M1119 HydrophobicContact CE1-CG 4.35Å; F1055-M1119 HydrophobicContact CZ-CE 3.56Å; F1055-F1124 HydrophobicContact CD1-CD2 4.44Å; F1055-F1124 AromaticContact CD1-CE2 3.7Å; F1055-F1124 HydrophobicContact CD1-CE2 3.7Å; F1055-F1124 HydrophobicContact CD1-CZ 4.28Å; F1055-F1124 AromaticContact CE1-CE2 3.6Å; F1055-F1124 HydrophobicContact CE1-CE2 3.6Å; F1055-F1124 AromaticContact CE1-CZ 3.7Å; F1055-F1124 HydrophobicContact CE1-CZ 3.7Å |
| 1056 | T | 90.5 | Very high | 84 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.4 | -45.7 | 178 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | P1031 M1035 P1052 V1053 S1054 F1058 S1059 A1060 F1124 | P1031-T1056 HydrophobicContact CB-CG2 4.11Å; P1031-T1056 HydrophobicContact CG-CG2 4.41Å; M1035-T1056 HydrophobicContact CE-CG2 3.88Å; M1035-T1056 WeakPolarHBondContact CE-OG1 3.27Å; M1035-T1056 HydrophobicContact SD-CG2 4.24Å; M1035-T1056 PolarHBondContact SD-OG1 3.22Å; P1052-T1056 PolarHBondContact O-N 2.81Å; P1052-T1056 VanDerWaalsContact O-N 3.12Å; P1052-T1056 PolarHBondContact O-OG1 2.96Å; V1053-T1056 PolarHBondContact O-N 3.01Å; S1054-T1056 VanDerWaalsContact C-N 3.34Å; T1056-F1058 PolarHBondContact O-N 3.24Å; T1056-S1059 PolarHBondContact O-N 3.25Å; T1056-A1060 VanDerWaalsContact O-CB 3.3Å; T1056-A1060 WeakPolarHBondContact O-CB 3.4Å; T1056-A1060 PolarHBondContact O-N 2.98Å; T1056-F1124 HydrophobicContact CG2-CD2 3.98Å; T1056-F1124 HydrophobicContact CG2-CE2 4.46Å; T1056-F1124 WeakPolarHBondContact OG1-CD2 3.36Å |
| 1057 | I | 93 | Very high | 85.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 176.5 | -64.9 | 170.6 | 0 | 0 | 0 | 110.2 | I959 Y960 F1028 P1031 V1053 A1060 L1061 | I959-I1057 HydrophobicContact CD1-CD1 3.49Å; I959-I1057 VanDerWaalsContact CD1-CD1 3.49Å; I959-I1057 HydrophobicContact CG1-CD1 4.47Å; Y960-I1057 HydrophobicContact CE1-CB 4.17Å; Y960-I1057 HydrophobicContact CE1-CG2 3.68Å; Y960-I1057 VanDerWaalsContact OH-CG2 3.29Å; Y960-I1057 WeakPolarHBondContact OH-CG2 3.14Å; F1028-I1057 HydrophobicContact CD2-CD1 4.11Å; P1031-I1057 HydrophobicContact CB-CD1 4.44Å; P1031-I1057 HydrophobicContact CB-CG1 3.61Å; P1031-I1057 HydrophobicContact CG-CG1 3.75Å; V1053-I1057 HydrophobicContact CG1-CD1 3.73Å; V1053-I1057 HydrophobicContact CG1-CG1 4.31Å; V1053-I1057 VanDerWaalsContact O-CG1 3.28Å; V1053-I1057 WeakPolarHBondContact O-CG1 3.39Å; V1053-I1057 PolarHBondContact O-N 3.42Å; I1057-A1060 PolarHBondContact O-N 2.92Å; I1057-L1061 WeakPolarHBondContact O-CB 3.44Å; I1057-L1061 PolarHBondContact O-N 3.05Å |
| 1058 | F | 93.5 | Very high | 88.1 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | -179.8 | -165.4 | -91.6 | 0 | 0 | 0 | 111.9 | F941 Y960 F964 Y968 F972 S1054 T1056 A1060 L1061 I1062 Y1091 | F941-F1058 HydrophobicContact CE2-CE2 4.05Å; Y960-F1058 HydrophobicContact CD1-CB 3.79Å; Y960-F1058 AromaticContact CD1-CD2 3.58Å; Y960-F1058 HydrophobicContact CD1-CD2 3.58Å; Y960-F1058 HydrophobicContact CD1-CG 4.15Å; Y960-F1058 HydrophobicContact CD2-CD2 4.26Å; Y960-F1058 HydrophobicContact CE1-CB 3.83Å; Y960-F1058 AromaticContact CE1-CD2 3.87Å; Y960-F1058 HydrophobicContact CE1-CD2 3.87Å; Y960-F1058 HydrophobicContact CE1-CG 4.36Å; Y960-F1058 AromaticContact CG-CD2 3.78Å; Y960-F1058 HydrophobicContact CG-CD2 3.78Å; Y960-F1058 HydrophobicContact CG-CE2 4.47Å; F964-F1058 HydrophobicContact CB-CD2 4.41Å; F964-F1058 HydrophobicContact CB-CE1 4.06Å; F964-F1058 HydrophobicContact CB-CE2 3.88Å; F964-F1058 HydrophobicContact CB-CZ 3.68Å; F964-F1058 AromaticContact CD2-CD1 3.92Å; F964-F1058 HydrophobicContact CD2-CD1 3.92Å; F964-F1058 HydrophobicContact CD2-CE1 4.01Å; F964-F1058 HydrophobicContact CD2-CG 4.29Å; F964-F1058 HydrophobicContact CD2-CZ 4.44Å; F964-F1058 HydrophobicContact CE2-CD1 4.43Å; F964-F1058 HydrophobicContact CG-CD1 4.45Å; F964-F1058 HydrophobicContact CG-CE1 4.08Å; F964-F1058 HydrophobicContact CG-CZ 4.21Å; Y968-F1058 HydrophobicContact CD2-CE2 4.43Å; Y968-F1058 HydrophobicContact CD2-CZ 4.29Å; F972-F1058 HydrophobicContact CD2-CE1 4.03Å; F972-F1058 HydrophobicContact CD2-CZ 4.02Å; F972-F1058 HydrophobicContact CE2-CE1 4.05Å; F972-F1058 HydrophobicContact CE2-CZ 4.17Å; S1054-F1058 WeakPolarHBondContact O-CB 3.35Å; S1054-F1058 PolarHBondContact O-N 3Å; T1056-F1058 PolarHBondContact O-N 3.24Å; F1058-A1060 PolarHBondContact O-N 3.33Å; F1058-L1061 WeakPolarHBondContact O-CB 3.43Å; F1058-L1061 PolarHBondContact O-N 2.89Å; F1058-I1062 HydrophobicContact CD1-CG1 4.03Å; F1058-I1062 HydrophobicContact CE1-CD1 4.01Å; F1058-I1062 HydrophobicContact CE1-CG1 3.75Å; F1058-I1062 HydrophobicContact CZ-CD1 4.2Å; F1058-I1062 HydrophobicContact CZ-CG1 4.38Å; F1058-I1062 WeakPolarHBondContact O-CG1 3.31Å; F1058-I1062 PolarHBondContact O-N 3.15Å; F1058-Y1091 HydrophobicContact CD1-CD2 4.41Å; F1058-Y1091 AromaticContact CD1-CE2 3.49Å; F1058-Y1091 HydrophobicContact CD1-CE2 3.49Å; F1058-Y1091 VanDerWaalsContact CD1-CE2 3.49Å; F1058-Y1091 AromaticContact CD1-CZ 3.82Å; F1058-Y1091 AromaticContact CE1-CD2 3.95Å; F1058-Y1091 HydrophobicContact CE1-CD2 3.95Å; F1058-Y1091 AromaticContact CE1-CE2 3.43Å; F1058-Y1091 HydrophobicContact CE1-CE2 3.43Å; F1058-Y1091 VanDerWaalsContact CE1-CE2 3.43Å |
| 1059 | S | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 174.5 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | F1055 T1056 L1061 I1062 V1063 Y1091 | F1055-S1059 WeakPolarHBondContact O-CB 3.44Å; F1055-S1059 PolarHBondContact O-N 3.49Å; F1055-S1059 PolarHBondContact O-OG 3.37Å; T1056-S1059 PolarHBondContact O-N 3.25Å; S1059-L1061 VanDerWaalsContact C-N 3.32Å; S1059-L1061 PolarHBondContact O-N 3.13Å; S1059-I1062 PolarHBondContact O-N 3.42Å; S1059-V1063 WeakPolarHBondContact O-CG2 3.09Å; S1059-V1063 PolarHBondContact O-N 2.87Å; S1059-Y1091 PolarHBondContact OG-OH 3.41Å |
| 1060 | A | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1027 T1056 I1057 F1058 T1064 I1128 I1131 | L1027-A1060 HydrophobicContact CD2-CB 3.85Å; T1056-A1060 VanDerWaalsContact O-CB 3.3Å; T1056-A1060 WeakPolarHBondContact O-CB 3.4Å; T1056-A1060 PolarHBondContact O-N 2.98Å; I1057-A1060 PolarHBondContact O-N 2.92Å; F1058-A1060 PolarHBondContact O-N 3.33Å; A1060-T1064 WeakPolarHBondContact O-CB 3.22Å; A1060-T1064 PolarHBondContact O-N 3.23Å; A1060-T1064 PolarHBondContact O-OG1 3.22Å; A1060-I1128 HydrophobicContact CB-CG1 4.16Å; A1060-I1131 HydrophobicContact CB-CD1 3.9Å; A1060-I1131 HydrophobicContact CB-CG2 4.25Å |
| 1061 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.2 | -51.2 | 174.7 | 170.9 | 71.5 | 0 | 0 | 0 | 111.1 | A940 F941 Y968 L1027 I1057 F1058 S1059 V1063 T1064 V1065 | A940-L1061 HydrophobicContact CB-CD1 4.19Å; F941-L1061 HydrophobicContact CB-CD1 4.46Å; F941-L1061 HydrophobicContact CB-CD2 3.93Å; F941-L1061 HydrophobicContact CD2-CD2 3.5Å; F941-L1061 VanDerWaalsContact CD2-CD2 3.5Å; F941-L1061 HydrophobicContact CE2-CD2 4.49Å; F941-L1061 HydrophobicContact CG-CD2 4.17Å; Y968-L1061 HydrophobicContact CD2-CD2 4.25Å; Y968-L1061 HydrophobicContact CE2-CD2 3.77Å; Y968-L1061 HydrophobicContact CE2-CG 4.13Å; L1027-L1061 HydrophobicContact CD1-CB 4.07Å; L1027-L1061 HydrophobicContact CD1-CD1 3.5Å; L1027-L1061 HydrophobicContact CD1-CG 4.39Å; L1027-L1061 HydrophobicContact CD2-CB 4.22Å; I1057-L1061 WeakPolarHBondContact O-CB 3.44Å; I1057-L1061 PolarHBondContact O-N 3.05Å; F1058-L1061 WeakPolarHBondContact O-CB 3.43Å; F1058-L1061 PolarHBondContact O-N 2.89Å; S1059-L1061 VanDerWaalsContact C-N 3.32Å; S1059-L1061 PolarHBondContact O-N 3.13Å; L1061-V1063 PolarHBondContact O-N 3.44Å; L1061-T1064 PolarHBondContact O-N 3.01Å; L1061-V1065 HydrophobicContact CD1-CG2 3.69Å; L1061-V1065 HydrophobicContact CG-CG2 4.34Å; L1061-V1065 VanDerWaalsContact O-CB 3.26Å; L1061-V1065 WeakPolarHBondContact O-CB 3.44Å; L1061-V1065 VanDerWaalsContact O-CG2 3.22Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.38Å; L1061-V1065 PolarHBondContact O-N 3.36Å |
| 1062 | I | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | -178.8 | -64.8 | -63.3 | 0 | 0 | 0 | 110.6 | Y968 F972 T973 F1058 S1059 T1066 L1088 Y1091 | Y968-I1062 HydrophobicContact CD2-CD1 3.71Å; Y968-I1062 HydrophobicContact CE2-CD1 3.91Å; F972-I1062 HydrophobicContact CB-CD1 3.96Å; F972-I1062 HydrophobicContact CD2-CD1 4.39Å; T973-I1062 HydrophobicContact CG2-CD1 4.19Å; F1058-I1062 HydrophobicContact CD1-CG1 4.03Å; F1058-I1062 HydrophobicContact CE1-CD1 4.01Å; F1058-I1062 HydrophobicContact CE1-CG1 3.75Å; F1058-I1062 HydrophobicContact CZ-CD1 4.2Å; F1058-I1062 HydrophobicContact CZ-CG1 4.38Å; F1058-I1062 WeakPolarHBondContact O-CG1 3.31Å; F1058-I1062 PolarHBondContact O-N 3.15Å; S1059-I1062 PolarHBondContact O-N 3.42Å; I1062-T1066 VanDerWaalsContact O-CB 3.25Å; I1062-T1066 WeakPolarHBondContact O-CB 3.48Å; I1062-T1066 PolarHBondContact O-N 3.15Å; I1062-T1066 PolarHBondContact O-OG1 2.94Å; I1062-L1088 HydrophobicContact CG2-CD1 3.8Å; I1062-Y1091 HydrophobicContact CB-CD1 4.19Å; I1062-Y1091 HydrophobicContact CB-CE1 4.37Å; I1062-Y1091 HydrophobicContact CB-CG 4.43Å; I1062-Y1091 HydrophobicContact CG1-CD1 4.31Å; I1062-Y1091 HydrophobicContact CG1-CD2 4.15Å; I1062-Y1091 HydrophobicContact CG1-CE1 4.4Å; I1062-Y1091 HydrophobicContact CG1-CE2 4.28Å; I1062-Y1091 HydrophobicContact CG1-CG 4.17Å; I1062-Y1091 HydrophobicContact CG2-CD1 3.84Å; I1062-Y1091 HydrophobicContact CG2-CG 3.96Å |
| 1063 | V | 95.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 10.4 Ų | 10.4 | 18% | 0.182 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 179.4 | 174.4 | 0 | 0 | 0 | 0 | 111 | S1059 L1061 T1066 A1067 L1088 F1092 I1128 T1132 | S1059-V1063 WeakPolarHBondContact O-CG2 3.09Å; S1059-V1063 PolarHBondContact O-N 2.87Å; L1061-V1063 PolarHBondContact O-N 3.44Å; V1063-T1066 PolarHBondContact O-N 2.91Å; V1063-A1067 WeakPolarHBondContact O-CB 3.3Å; V1063-A1067 PolarHBondContact O-N 3.48Å; V1063-L1088 HydrophobicContact CG2-CD1 4.01Å; V1063-F1092 HydrophobicContact CG2-CZ 4.44Å; V1063-I1128 HydrophobicContact CB-CG2 4.01Å; V1063-I1128 HydrophobicContact CG1-CG2 3.94Å; V1063-I1128 HydrophobicContact CG2-CG2 3.99Å; V1063-T1132 HydrophobicContact CG1-CG2 4.36Å |
| 1064 | T | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | -179.5 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | T1023 A1060 L1061 A1067 Q1068 L1135 M1136 | T1023-T1064 HydrophobicContact CG2-CG2 4.41Å; A1060-T1064 WeakPolarHBondContact O-CB 3.22Å; A1060-T1064 PolarHBondContact O-N 3.23Å; A1060-T1064 PolarHBondContact O-OG1 3.22Å; L1061-T1064 PolarHBondContact O-N 3.01Å; T1064-A1067 PolarHBondContact O-N 3.07Å; T1064-Q1068 WeakPolarHBondContact O-CB 3.36Å; T1064-Q1068 PolarHBondContact O-N 3.28Å; T1064-L1135 HydrophobicContact CG2-CB 3.95Å; T1064-L1135 HydrophobicContact CG2-CD1 3.64Å; T1064-L1135 HydrophobicContact CG2-CG 4.43Å; T1064-M1136 HydrophobicContact CG2-CE 3.54Å; T1064-M1136 VanDerWaalsContact O-CE 3.31Å; T1064-M1136 WeakPolarHBondContact O-CE 3.41Å |
| 1065 | V | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 178.6 | 170.1 | 0 | 0 | 0 | 0 | 109.5 | Y933 K937 T973 L1061 A1067 Q1068 I1069 | Y933-V1065 HydrophobicContact CE1-CG1 4.39Å; Y933-V1065 WeakPolarHBondContact OH-CG1 3.37Å; Y933-V1065 PolarHBondContact OH-O 3.03Å; K937-V1065 HydrophobicContact CB-CG1 3.94Å; K937-V1065 HydrophobicContact CB-CG2 4.49Å; T973-V1065 HydrophobicContact CG2-CG1 4.19Å; L1061-V1065 HydrophobicContact CD1-CG2 3.69Å; L1061-V1065 HydrophobicContact CG-CG2 4.34Å; L1061-V1065 VanDerWaalsContact O-CB 3.26Å; L1061-V1065 WeakPolarHBondContact O-CB 3.44Å; L1061-V1065 VanDerWaalsContact O-CG2 3.22Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.38Å; L1061-V1065 PolarHBondContact O-N 3.36Å; V1065-A1067 PolarHBondContact O-N 3.07Å; V1065-Q1068 WeakPolarHBondContact O-CB 3Å; V1065-Q1068 PolarHBondContact O-N 2.85Å; V1065-I1069 PolarHBondContact O-N 2.96Å |
| 1066 | T | 95.3 | Very high | 93 | Very high | 6 Ų | 6 | 19 Ų | 19 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | I1062 V1063 I1069 A1070 T1084 L1088 | I1062-T1066 VanDerWaalsContact O-CB 3.25Å; I1062-T1066 WeakPolarHBondContact O-CB 3.48Å; I1062-T1066 PolarHBondContact O-N 3.15Å; I1062-T1066 PolarHBondContact O-OG1 2.94Å; V1063-T1066 PolarHBondContact O-N 2.91Å; T1066-I1069 WeakPolarHBondContact O-CG2 3.41Å; T1066-A1070 WeakPolarHBondContact O-CB 3.01Å; T1066-A1070 PolarHBondContact O-N 3.41Å; T1066-A1070 VanDerWaalsContact O-N 3.1Å; T1066-T1084 HydrophobicContact CG2-CG2 3.61Å; T1066-L1088 HydrophobicContact CG2-CB 4.34Å |
| 1067 | A | 94.1 | Very high | 93 | Very high | 22 Ų | 22 | 20.3 Ų | 20.3 | 18% | 0.182 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1063 T1064 V1065 A1070 I1071 T1132 M1136 | V1063-A1067 WeakPolarHBondContact O-CB 3.3Å; V1063-A1067 PolarHBondContact O-N 3.48Å; T1064-A1067 PolarHBondContact O-N 3.07Å; V1065-A1067 PolarHBondContact O-N 3.07Å; A1067-A1070 WeakPolarHBondContact O-CB 3.48Å; A1067-A1070 PolarHBondContact O-N 3.15Å; A1067-I1071 WeakPolarHBondContact O-CG1 3.35Å; A1067-I1071 PolarHBondContact O-N 2.89Å; A1067-T1132 HydrophobicContact CB-CG2 4.02Å; A1067-M1136 HydrophobicContact CB-CE 4.29Å; A1067-M1136 HydrophobicContact CB-CG 4.34Å; A1067-M1136 HydrophobicContact CB-SD 4.02Å |
| 1068 | Q | 94 | Very high | 93 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 177.1 | -172.4 | 66.3 | 35.5 | 0 | 0 | 111.2 | Y933 Y936 T1064 V1065 A1070 I1071 D1072 M1136 | Y933-Q1068 HydrophobicContact CD2-CG 4.44Å; Y933-Q1068 HydrophobicContact CE2-CB 4.13Å; Y933-Q1068 HydrophobicContact CE2-CG 4.02Å; Y936-Q1068 HydrophobicContact CD1-CG 4.39Å; Y936-Q1068 HydrophobicContact CE1-CB 4.2Å; Y936-Q1068 HydrophobicContact CE1-CG 3.76Å; T1064-Q1068 WeakPolarHBondContact O-CB 3.36Å; T1064-Q1068 PolarHBondContact O-N 3.28Å; V1065-Q1068 WeakPolarHBondContact O-CB 3Å; V1065-Q1068 PolarHBondContact O-N 2.85Å; Q1068-A1070 VanDerWaalsContact C-N 3.28Å; Q1068-A1070 PolarHBondContact O-N 2.96Å; Q1068-I1071 PolarHBondContact O-N 3.49Å; Q1068-D1072 PolarHBondContact NE2-OD1 3.06Å; Q1068-D1072 WeakPolarHBondContact O-CB 2.98Å; Q1068-D1072 PolarHBondContact O-N 3.24Å; Q1068-M1136 HydrophobicContact CB-CE 4.01Å; Q1068-M1136 HydrophobicContact CB-SD 4.37Å; Q1068-M1136 PolarHBondContact OE1-SD 3.33Å |
| 1069 | I | 93.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -33.9 | 178.9 | -169.6 | 154.2 | 0 | 0 | 0 | 112.5 | Y933 P976 V977 M980 V1065 T1066 D1072 T1073 T1084 | Y933-I1069 HydrophobicContact CD1-CD1 4.26Å; Y933-I1069 HydrophobicContact CD2-CB 4.38Å; Y933-I1069 HydrophobicContact CE1-CB 4.36Å; Y933-I1069 HydrophobicContact CE1-CD1 3.94Å; Y933-I1069 HydrophobicContact CE2-CB 3.61Å; Y933-I1069 HydrophobicContact CE2-CD1 4.49Å; Y933-I1069 HydrophobicContact CE2-CG1 4.35Å; Y933-I1069 WeakPolarHBondContact OH-CB 3.13Å; P976-I1069 VanDerWaalsContact C-CD1 3.45Å; P976-I1069 HydrophobicContact CB-CD1 3.89Å; P976-I1069 HydrophobicContact CB-CG2 4.23Å; P976-I1069 WeakPolarHBondContact O-CD1 3.26Å; V977-I1069 HydrophobicContact CB-CD1 4.39Å; V977-I1069 HydrophobicContact CG2-CD1 3.84Å; M980-I1069 HydrophobicContact CB-CD1 4.15Å; M980-I1069 HydrophobicContact CB-CG1 4.5Å; M980-I1069 HydrophobicContact CE-CD1 3.78Å; M980-I1069 HydrophobicContact CE-CG1 3.84Å; V1065-I1069 PolarHBondContact O-N 2.96Å; T1066-I1069 WeakPolarHBondContact O-CG2 3.41Å; I1069-D1072 PolarHBondContact O-N 2.94Å; I1069-T1073 PolarHBondContact O-N 3.37Å; I1069-T1073 PolarHBondContact O-OG1 3.14Å; I1069-T1084 HydrophobicContact CG2-CG2 4.27Å |
| 1070 | A | 93.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 29 Ų | 29 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1066 A1067 Q1068 D1072 T1073 W1076 T1084 | T1066-A1070 WeakPolarHBondContact O-CB 3.01Å; T1066-A1070 PolarHBondContact O-N 3.41Å; T1066-A1070 VanDerWaalsContact O-N 3.1Å; A1067-A1070 WeakPolarHBondContact O-CB 3.48Å; A1067-A1070 PolarHBondContact O-N 3.15Å; Q1068-A1070 VanDerWaalsContact C-N 3.28Å; Q1068-A1070 PolarHBondContact O-N 2.96Å; A1070-D1072 VanDerWaalsContact C-N 3.33Å; A1070-D1072 PolarHBondContact O-N 3.41Å; A1070-T1073 PolarHBondContact O-N 2.84Å; A1070-W1076 VanDerWaalsContact CA-CZ2 3.49Å; A1070-W1076 HydrophobicContact CB-CH2 3.64Å; A1070-W1076 HydrophobicContact CB-CZ2 3.67Å; A1070-W1076 WeakPolarHBondContact O-CZ2 3.45Å; A1070-T1084 HydrophobicContact CB-CG2 4.38Å |
| 1071 | I | 91.4 | Very high | 92.7 | Very high | 71 Ų | 71 | 32.8 Ų | 32.8 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.1 | -33.4 | 178.4 | -67 | 164.8 | 0 | 0 | 0 | 111.6 | A1067 Q1068 M1136 V1140 R1143 | A1067-I1071 WeakPolarHBondContact O-CG1 3.35Å; A1067-I1071 PolarHBondContact O-N 2.89Å; Q1068-I1071 PolarHBondContact O-N 3.49Å; I1071-M1136 HydrophobicContact CD1-CB 4.34Å; I1071-M1136 HydrophobicContact CD1-CG 4.08Å; I1071-M1136 HydrophobicContact CD1-SD 3.59Å; I1071-M1136 VanDerWaalsContact CD1-SD 3.59Å; I1071-V1140 HydrophobicContact CD1-CG2 3.95Å; I1071-V1140 HydrophobicContact CG2-CG2 4.04Å; I1071-R1143 PolarHBondContact O-NH1 2.91Å |
| 1072 | D | 90.3 | Very high | 92.7 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.5 | -34.6 | 178.2 | -68.5 | 12.3 | 0 | 0 | 0 | 112.3 | K929 Q1068 I1069 A1070 A1074 R1143 | K929-D1072 WeakPolarHBondContact CE-O 3.3Å; K929-D1072 PolarHBondContact NZ-O 3.07Å; Q1068-D1072 PolarHBondContact NE2-OD1 3.06Å; Q1068-D1072 WeakPolarHBondContact O-CB 2.98Å; Q1068-D1072 PolarHBondContact O-N 3.24Å; I1069-D1072 PolarHBondContact O-N 2.94Å; A1070-D1072 VanDerWaalsContact C-N 3.33Å; A1070-D1072 PolarHBondContact O-N 3.41Å; D1072-A1074 PolarHBondContact O-N 3.39Å; D1072-R1143 VanDerWaalsContact CA-NH1 3.3Å; D1072-R1143 IonicContact OD1-CZ 3.65Å; D1072-R1143 IonicContact OD1-NH1 3.53Å; D1072-R1143 PolarHBondContact OD1-NH1 2.96Å; D1072-R1143 IonicContact OD1-NH2 3.99Å; D1072-R1143 PolarHBondContact OD1-NH2 3.43Å; D1072-R1143 IonicContact OD2-NH2 3.42Å; D1072-R1143 PolarHBondContact OD2-NH2 3.07Å |
| 1073 | T | 91.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | trans | -63.1 | 118.1 | -177.3 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | I1069 A1070 Y1075 W1076 | I1069-T1073 PolarHBondContact O-N 3.37Å; I1069-T1073 PolarHBondContact O-OG1 3.14Å; A1070-T1073 PolarHBondContact O-N 2.84Å; T1073-Y1075 WeakPolarHBondContact CG2-O 3.35Å; T1073-W1076 HydrophobicContact CG2-CD2 4.31Å; T1073-W1076 HydrophobicContact CG2-CG 4.42Å; T1073-W1076 PolarHBondContact O-NE1 3.49Å | ||
| 1074 | A | 87.3 | Confident | 92.6 | Very high | 17 Ų | 17 | 39 Ų | 39 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -83.2 | -38.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D984 D1072 R1158 | D984-A1074 PolarHBondContact OD1-N 3.34Å; D1072-A1074 PolarHBondContact O-N 3.39Å; A1074-R1158 PolarHBondContact O-NH2 3.17Å |
| 1075 | Y | 88.5 | Confident | 92.6 | Very high | 112 Ų | 112 | 45.4 Ų | 45.4 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -117.8 | 107.8 | 179.5 | -176.7 | -114.7 | 0 | 0 | 0 | 111.5 | D984 Q985 T1073 T1077 N1080 | D984-Y1075 PolarHBondContact OD1-N 3.17Å; Q985-Y1075 HydrophobicContact CB-CD1 4.31Å; Q985-Y1075 HydrophobicContact CB-CG 4.26Å; Q985-Y1075 HydrophobicContact CG-CD1 4.4Å; Q985-Y1075 WeakPolarHBondContact O-CB 3.4Å; T1073-Y1075 WeakPolarHBondContact CG2-O 3.35Å; Y1075-T1077 HydrophobicContact CD1-CG2 3.68Å; Y1075-T1077 HydrophobicContact CE1-CG2 3.42Å; Y1075-T1077 VanDerWaalsContact CE1-CG2 3.42Å; Y1075-N1080 PolarHBondContact O-ND2 3.43Å |
| 1076 | W | 90.2 | Very high | 92.6 | Very high | 86 Ų | 86 | 47 Ų | 47 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | trans | -82.6 | 122.4 | 179 | -76.9 | 88.7 | 0 | 0 | 0 | 111.4 | A1070 T1073 N1080 H1081 | A1070-W1076 VanDerWaalsContact CA-CZ2 3.49Å; A1070-W1076 HydrophobicContact CB-CH2 3.64Å; A1070-W1076 HydrophobicContact CB-CZ2 3.67Å; A1070-W1076 WeakPolarHBondContact O-CZ2 3.45Å; T1073-W1076 HydrophobicContact CG2-CD2 4.31Å; T1073-W1076 HydrophobicContact CG2-CG 4.42Å; T1073-W1076 PolarHBondContact O-NE1 3.49Å; W1076-N1080 HydrophobicContact CE3-CB 4.26Å; W1076-H1081 AromaticContact CD2-CE1 3.87Å; W1076-H1081 AromaticContact CE3-CE1 3.2Å; W1076-H1081 AromaticContact CE3-CG 3.92Å; W1076-H1081 AromaticContact CE3-ND1 3.4Å; W1076-H1081 AromaticContact CE3-NE2 3.61Å; W1076-H1081 AromaticContact CZ3-CE1 3.58Å; W1076-H1081 AromaticContact CZ3-ND1 3.39Å; W1076-H1081 WeakPolarHBondContact CZ3-ND1 3.19Å | ||
| 1077 | T | 90.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | trans | -113.1 | 162.7 | 171.7 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | F983 Y1075 I1079 N1080 H1081 | F983-T1077 HydrophobicContact CB-CG2 4.41Å; Y1075-T1077 HydrophobicContact CD1-CG2 3.68Å; Y1075-T1077 HydrophobicContact CE1-CG2 3.42Å; Y1075-T1077 VanDerWaalsContact CE1-CG2 3.42Å; T1077-I1079 PolarHBondContact O-N 3.47Å; T1077-N1080 PolarHBondContact O-N 3.29Å; T1077-N1080 VanDerWaalsContact O-N 3.1Å; T1077-N1080 VanDerWaalsContact OG1-CG 3.25Å; T1077-N1080 PolarHBondContact OG1-N 3.35Å; T1077-N1080 VanDerWaalsContact OG1-N 3.11Å; T1077-N1080 PolarHBondContact OG1-ND2 2.9Å; T1077-H1081 PolarHBondContact O-CD2 2.97Å; T1077-H1081 PolarHBondContact O-N 2.92Å; T1077-H1081 VanDerWaalsContact O-N 3.07Å | ||
| 1078 | V | 93.3 | Very high | 92.6 | Very high | 109 Ų | 109 | 47.3 Ų | 47.3 | 66% | 0.661 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -57 | -38.2 | 173.9 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | H1081 I1082 | V1078-H1081 WeakPolarHBondContact O-CB 3.21Å; V1078-H1081 PolarHBondContact O-N 2.88Å; V1078-I1082 HydrophobicContact CG1-CD1 3.98Å; V1078-I1082 HydrophobicContact CG1-CG1 4.49Å; V1078-I1082 WeakPolarHBondContact O-CG1 3.28Å; V1078-I1082 PolarHBondContact O-N 2.95Å |
| 1079 | I | 92.6 | Very high | 92.6 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 35% | 0.354 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.1 | -58.6 | 172.3 | 0 | 0 | 0 | 110.6 | F983 T1077 H1081 I1082 F1083 | F983-I1079 HydrophobicContact CD2-CG2 4.14Å; F983-I1079 HydrophobicContact CE1-CD1 3.77Å; F983-I1079 HydrophobicContact CE2-CB 4.28Å; F983-I1079 HydrophobicContact CE2-CD1 4.23Å; F983-I1079 HydrophobicContact CE2-CG2 3.59Å; F983-I1079 HydrophobicContact CZ-CD1 3.62Å; F983-I1079 HydrophobicContact CZ-CG2 4.05Å; T1077-I1079 PolarHBondContact O-N 3.47Å; I1079-H1081 VanDerWaalsContact C-N 3.29Å; I1079-H1081 PolarHBondContact O-N 3.18Å; I1079-I1082 PolarHBondContact O-N 3.16Å; I1079-F1083 HydrophobicContact CG2-CD1 4.2Å; I1079-F1083 HydrophobicContact CG2-CD2 3.98Å; I1079-F1083 HydrophobicContact CG2-CE1 3.91Å; I1079-F1083 HydrophobicContact CG2-CE2 3.67Å; I1079-F1083 HydrophobicContact CG2-CG 4.24Å; I1079-F1083 HydrophobicContact CG2-CZ 3.63Å; I1079-F1083 WeakPolarHBondContact O-CB 3.26Å; I1079-F1083 WeakPolarHBondContact O-CG 3.28Å; I1079-F1083 PolarHBondContact O-N 2.91Å |
| 1080 | N | 90.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 176.4 | -70.2 | -16.5 | 0 | 0 | 0 | 111.8 | Y1075 W1076 T1077 T1084 | Y1075-N1080 PolarHBondContact O-ND2 3.43Å; W1076-N1080 HydrophobicContact CE3-CB 4.26Å; T1077-N1080 PolarHBondContact O-N 3.29Å; T1077-N1080 VanDerWaalsContact O-N 3.1Å; T1077-N1080 VanDerWaalsContact OG1-CG 3.25Å; T1077-N1080 PolarHBondContact OG1-N 3.35Å; T1077-N1080 VanDerWaalsContact OG1-N 3.11Å; T1077-N1080 PolarHBondContact OG1-ND2 2.9Å; N1080-T1084 VanDerWaalsContact O-CB 3.23Å; N1080-T1084 WeakPolarHBondContact O-CB 3.29Å; N1080-T1084 PolarHBondContact O-N 2.9Å; N1080-T1084 PolarHBondContact O-OG1 3.14Å |
| 1081 | H | 93.2 | Very high | 92.7 | Very high | 81 Ų | 81 | 51.9 Ų | 51.9 | 38% | 0.375 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 173.3 | -76.3 | -60.7 | 0 | 0 | 0 | 112.4 | W1076 T1077 V1078 I1079 F1083 T1084 W1085 | W1076-H1081 AromaticContact CD2-CE1 3.87Å; W1076-H1081 AromaticContact CE3-CE1 3.2Å; W1076-H1081 AromaticContact CE3-CG 3.92Å; W1076-H1081 AromaticContact CE3-ND1 3.4Å; W1076-H1081 AromaticContact CE3-NE2 3.61Å; W1076-H1081 AromaticContact CZ3-CE1 3.58Å; W1076-H1081 AromaticContact CZ3-ND1 3.39Å; W1076-H1081 WeakPolarHBondContact CZ3-ND1 3.19Å; T1077-H1081 PolarHBondContact O-CD2 2.97Å; T1077-H1081 PolarHBondContact O-N 2.92Å; T1077-H1081 VanDerWaalsContact O-N 3.07Å; V1078-H1081 WeakPolarHBondContact O-CB 3.21Å; V1078-H1081 PolarHBondContact O-N 2.88Å; I1079-H1081 VanDerWaalsContact C-N 3.29Å; I1079-H1081 PolarHBondContact O-N 3.18Å; H1081-F1083 VanDerWaalsContact C-N 3.33Å; H1081-F1083 PolarHBondContact O-N 3.12Å; H1081-T1084 PolarHBondContact O-N 2.82Å; H1081-W1085 AromaticContact ND1-CD1 3.9Å; H1081-W1085 AromaticContact ND1-NE1 3.48Å; H1081-W1085 PolarHBondContact ND1-NE1 3.32Å; H1081-W1085 WeakPolarHBondContact O-CB 3.08Å; H1081-W1085 VanDerWaalsContact O-CD1 3.28Å; H1081-W1085 PolarHBondContact O-N 3.39Å |
| 1082 | I | 94.9 | Very high | 92.7 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 54% | 0.544 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 178.6 | -67.4 | 168.2 | 0 | 0 | 0 | 110.3 | V1078 I1079 G1086 | V1078-I1082 HydrophobicContact CG1-CD1 3.98Å; V1078-I1082 HydrophobicContact CG1-CG1 4.49Å; V1078-I1082 WeakPolarHBondContact O-CG1 3.28Å; V1078-I1082 PolarHBondContact O-N 2.95Å; I1079-I1082 PolarHBondContact O-N 3.16Å; I1082-G1086 WeakPolarHBondContact O-CA 3.16Å; I1082-G1086 PolarHBondContact O-N 2.99Å |
| 1083 | F | 94.7 | Very high | 92.8 | Very high | 53 Ų | 53 | 54 Ų | 54 | 23% | 0.232 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -48.3 | -179.7 | -72.3 | 0.9 | 0 | 0 | 0 | 111.6 | L975 F983 I1079 H1081 S1087 | L975-F1083 HydrophobicContact CB-CB 4.19Å; L975-F1083 HydrophobicContact CB-CD1 4.41Å; L975-F1083 HydrophobicContact CB-CD2 4.22Å; L975-F1083 HydrophobicContact CB-CG 4.04Å; L975-F1083 VanDerWaalsContact O-CD2 3.26Å; L975-F1083 WeakPolarHBondContact O-CD2 3.21Å; F983-F1083 HydrophobicContact CE2-CE2 4.44Å; I1079-F1083 HydrophobicContact CG2-CD1 4.2Å; I1079-F1083 HydrophobicContact CG2-CD2 3.98Å; I1079-F1083 HydrophobicContact CG2-CE1 3.91Å; I1079-F1083 HydrophobicContact CG2-CE2 3.67Å; I1079-F1083 HydrophobicContact CG2-CG 4.24Å; I1079-F1083 HydrophobicContact CG2-CZ 3.63Å; I1079-F1083 WeakPolarHBondContact O-CB 3.26Å; I1079-F1083 WeakPolarHBondContact O-CG 3.28Å; I1079-F1083 PolarHBondContact O-N 2.91Å; H1081-F1083 VanDerWaalsContact C-N 3.33Å; H1081-F1083 PolarHBondContact O-N 3.12Å; F1083-S1087 WeakPolarHBondContact O-CB 3.36Å; F1083-S1087 PolarHBondContact O-N 3.47Å; F1083-S1087 PolarHBondContact O-OG 3.37Å; F1083-S1087 VanDerWaalsContact O-OG 3.11Å |
| 1084 | T | 93.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -53.9 | -175.9 | -53 | 0 | 0 | 0 | 0 | 111.5 | T1066 I1069 A1070 N1080 H1081 L1088 | T1066-T1084 HydrophobicContact CG2-CG2 3.61Å; I1069-T1084 HydrophobicContact CG2-CG2 4.27Å; A1070-T1084 HydrophobicContact CB-CG2 4.38Å; N1080-T1084 VanDerWaalsContact O-CB 3.23Å; N1080-T1084 WeakPolarHBondContact O-CB 3.29Å; N1080-T1084 PolarHBondContact O-N 2.9Å; N1080-T1084 PolarHBondContact O-OG1 3.14Å; H1081-T1084 PolarHBondContact O-N 2.82Å; T1084-L1088 PolarHBondContact O-N 3.33Å |
| 1085 | W | 95.2 | Very high | 92.8 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 50% | 0.504 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -79.7 | -33.1 | -177.3 | -55.7 | 126.5 | 0 | 0 | 0 | 112.6 | H1081 L1088 A1089 | H1081-W1085 AromaticContact ND1-CD1 3.9Å; H1081-W1085 AromaticContact ND1-NE1 3.48Å; H1081-W1085 PolarHBondContact ND1-NE1 3.32Å; H1081-W1085 WeakPolarHBondContact O-CB 3.08Å; H1081-W1085 VanDerWaalsContact O-CD1 3.28Å; H1081-W1085 PolarHBondContact O-N 3.39Å; W1085-L1088 HydrophobicContact CE3-CD2 4.25Å; W1085-L1088 HydrophobicContact CZ3-CD2 4.41Å; W1085-L1088 PolarHBondContact O-N 3.28Å; W1085-A1089 PolarHBondContact O-N 3.48Å |
| 1086 | G | 94.7 | Very high | 92.7 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1082 A1089 L1090 | I1082-G1086 WeakPolarHBondContact O-CA 3.16Å; I1082-G1086 PolarHBondContact O-N 2.99Å; G1086-A1089 PolarHBondContact O-N 2.86Å; G1086-L1090 WeakPolarHBondContact O-CB 3.25Å; G1086-L1090 PolarHBondContact O-N 3.25Å |
| 1087 | S | 95.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 173 | -81 | 0 | 0 | 0 | 0 | 112.9 | F972 P976 F1083 L1090 Y1091 | F972-S1087 VanDerWaalsContact O-CB 3.31Å; F972-S1087 WeakPolarHBondContact O-CB 3.29Å; P976-S1087 WeakPolarHBondContact CD-OG 3.42Å; F1083-S1087 WeakPolarHBondContact O-CB 3.36Å; F1083-S1087 PolarHBondContact O-N 3.47Å; F1083-S1087 PolarHBondContact O-OG 3.37Å; F1083-S1087 VanDerWaalsContact O-OG 3.11Å; S1087-L1090 PolarHBondContact O-N 3.09Å; S1087-Y1091 PolarHBondContact O-N 3.32Å |
| 1088 | L | 94.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 52.8 Ų | 52.8 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 174.8 | -176.7 | 62.5 | 0 | 0 | 0 | 111.6 | I1062 V1063 T1066 T1084 W1085 Y1091 F1092 | I1062-L1088 HydrophobicContact CG2-CD1 3.8Å; V1063-L1088 HydrophobicContact CG2-CD1 4.01Å; T1066-L1088 HydrophobicContact CG2-CB 4.34Å; T1084-L1088 PolarHBondContact O-N 3.33Å; W1085-L1088 HydrophobicContact CE3-CD2 4.25Å; W1085-L1088 HydrophobicContact CZ3-CD2 4.41Å; W1085-L1088 PolarHBondContact O-N 3.28Å; L1088-Y1091 WeakPolarHBondContact O-CB 3.34Å; L1088-Y1091 PolarHBondContact O-N 3.02Å; L1088-F1092 HydrophobicContact CD1-CD2 4.33Å; L1088-F1092 HydrophobicContact CD1-CE2 3.82Å; L1088-F1092 HydrophobicContact CG-CD2 4.4Å; L1088-F1092 HydrophobicContact CG-CE2 4.15Å; L1088-F1092 WeakPolarHBondContact O-CD2 3.49Å; L1088-F1092 PolarHBondContact O-N 3.42Å |
| 1089 | A | 95.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 50% | 0.496 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1085 G1086 Y1091 F1092 L1093 | W1085-A1089 PolarHBondContact O-N 3.48Å; G1086-A1089 PolarHBondContact O-N 2.86Å; A1089-Y1091 VanDerWaalsContact C-N 3.31Å; A1089-Y1091 PolarHBondContact O-N 3.35Å; A1089-F1092 PolarHBondContact O-N 3.36Å; A1089-L1093 WeakPolarHBondContact O-CB 3.47Å; A1089-L1093 PolarHBondContact O-N 3.11Å |
| 1090 | L | 93.8 | Very high | 91.2 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 34% | 0.335 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.6 | 179.9 | 64.8 | 0 | 0 | 0 | 111.7 | I971 G1086 S1087 L1093 V1094 | I971-L1090 HydrophobicContact CG2-CD2 3.6Å; I971-L1090 HydrophobicContact CG2-CG 4.44Å; G1086-L1090 WeakPolarHBondContact O-CB 3.25Å; G1086-L1090 PolarHBondContact O-N 3.25Å; S1087-L1090 PolarHBondContact O-N 3.09Å; L1090-L1093 PolarHBondContact O-N 3.49Å; L1090-V1094 HydrophobicContact CD1-CG2 4.09Å; L1090-V1094 HydrophobicContact CG-CG2 4.37Å; L1090-V1094 WeakPolarHBondContact O-CB 3.32Å; L1090-V1094 VanDerWaalsContact O-CG2 3.27Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.27Å; L1090-V1094 PolarHBondContact O-N 3.49Å |
| 1091 | Y | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.6 | -54.2 | 174.9 | 161.3 | -108.5 | 0 | 0 | 0 | 111.6 | F964 F972 F1058 S1059 I1062 S1087 L1088 A1089 L1093 V1094 A1095 | F964-Y1091 HydrophobicContact CE2-CE2 4.49Å; F972-Y1091 HydrophobicContact CD1-CD2 4.42Å; F972-Y1091 HydrophobicContact CD2-CD2 4.06Å; F972-Y1091 HydrophobicContact CE1-CD2 4.32Å; F972-Y1091 AromaticContact CE2-CD2 3.94Å; F972-Y1091 HydrophobicContact CE2-CD2 3.94Å; F972-Y1091 HydrophobicContact CG-CD2 4.31Å; F972-Y1091 HydrophobicContact CZ-CD2 4.08Å; F1058-Y1091 HydrophobicContact CD1-CD2 4.41Å; F1058-Y1091 AromaticContact CD1-CE2 3.49Å; F1058-Y1091 HydrophobicContact CD1-CE2 3.49Å; F1058-Y1091 VanDerWaalsContact CD1-CE2 3.49Å; F1058-Y1091 AromaticContact CD1-CZ 3.82Å; F1058-Y1091 AromaticContact CE1-CD2 3.95Å; F1058-Y1091 HydrophobicContact CE1-CD2 3.95Å; F1058-Y1091 AromaticContact CE1-CE2 3.43Å; F1058-Y1091 HydrophobicContact CE1-CE2 3.43Å; F1058-Y1091 VanDerWaalsContact CE1-CE2 3.43Å; S1059-Y1091 PolarHBondContact OG-OH 3.41Å; I1062-Y1091 HydrophobicContact CB-CD1 4.19Å; I1062-Y1091 HydrophobicContact CB-CE1 4.37Å; I1062-Y1091 HydrophobicContact CB-CG 4.43Å; I1062-Y1091 HydrophobicContact CG1-CD1 4.31Å; I1062-Y1091 HydrophobicContact CG1-CD2 4.15Å; I1062-Y1091 HydrophobicContact CG1-CE1 4.4Å; I1062-Y1091 HydrophobicContact CG1-CE2 4.28Å; I1062-Y1091 HydrophobicContact CG1-CG 4.17Å; I1062-Y1091 HydrophobicContact CG2-CD1 3.84Å; I1062-Y1091 HydrophobicContact CG2-CG 3.96Å; S1087-Y1091 PolarHBondContact O-N 3.32Å; L1088-Y1091 WeakPolarHBondContact O-CB 3.34Å; L1088-Y1091 PolarHBondContact O-N 3.02Å; A1089-Y1091 VanDerWaalsContact C-N 3.31Å; A1089-Y1091 PolarHBondContact O-N 3.35Å; Y1091-L1093 VanDerWaalsContact C-N 3.28Å; Y1091-L1093 PolarHBondContact O-N 2.74Å; Y1091-V1094 PolarHBondContact O-N 3.37Å; Y1091-A1095 HydrophobicContact CE2-CB 4.31Å; Y1091-A1095 WeakPolarHBondContact O-CB 3.36Å; Y1091-A1095 PolarHBondContact O-N 3.12Å |
| 1092 | F | 92.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 179.9 | -76 | -68.9 | 0 | 0 | 0 | 112 | V1063 L1088 A1089 A1095 I1096 M1119 W1125 | V1063-F1092 HydrophobicContact CG2-CZ 4.44Å; L1088-F1092 HydrophobicContact CD1-CD2 4.33Å; L1088-F1092 HydrophobicContact CD1-CE2 3.82Å; L1088-F1092 HydrophobicContact CG-CD2 4.4Å; L1088-F1092 HydrophobicContact CG-CE2 4.15Å; L1088-F1092 WeakPolarHBondContact O-CD2 3.49Å; L1088-F1092 PolarHBondContact O-N 3.42Å; A1089-F1092 PolarHBondContact O-N 3.36Å; F1092-A1095 PolarHBondContact O-N 2.94Å; F1092-I1096 VanDerWaalsContact O-CG1 3.27Å; F1092-I1096 WeakPolarHBondContact O-CG1 3.1Å; F1092-I1096 PolarHBondContact O-N 2.94Å; F1092-M1119 HydrophobicContact CD1-CE 3.68Å; F1092-M1119 HydrophobicContact CE1-CE 4.21Å; F1092-W1125 HydrophobicContact CE1-CH2 4.29Å; F1092-W1125 HydrophobicContact CZ-CH2 4.37Å; F1092-W1125 HydrophobicContact CZ-CZ3 4.38Å |
| 1093 | L | 92 | Very high | 88.2 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 174.4 | -179.3 | 66.1 | 0 | 0 | 0 | 111.7 | A1089 L1090 Y1091 A1095 I1096 L1097 | A1089-L1093 WeakPolarHBondContact O-CB 3.47Å; A1089-L1093 PolarHBondContact O-N 3.11Å; L1090-L1093 PolarHBondContact O-N 3.49Å; Y1091-L1093 VanDerWaalsContact C-N 3.28Å; Y1091-L1093 PolarHBondContact O-N 2.74Å; L1093-A1095 VanDerWaalsContact C-N 3.31Å; L1093-A1095 PolarHBondContact O-N 3.46Å; L1093-I1096 PolarHBondContact O-N 3.01Å; L1093-L1097 HydrophobicContact CD1-CD1 4.23Å; L1093-L1097 HydrophobicContact CD1-CG 4.43Å; L1093-L1097 HydrophobicContact CG-CD1 4.01Å; L1093-L1097 WeakPolarHBondContact O-CB 3.05Å; L1093-L1097 VanDerWaalsContact O-CG 3.24Å; L1093-L1097 WeakPolarHBondContact O-CG 3.49Å; L1093-L1097 PolarHBondContact O-N 2.91Å |
| 1094 | V | 89.5 | Confident | 86.7 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 111 | F972 L1090 Y1091 L1097 Y1098 | F972-V1094 HydrophobicContact CE1-CB 3.95Å; F972-V1094 HydrophobicContact CE1-CG1 4.06Å; F972-V1094 HydrophobicContact CE1-CG2 4.17Å; F972-V1094 HydrophobicContact CZ-CB 4.15Å; F972-V1094 HydrophobicContact CZ-CG1 3.83Å; L1090-V1094 HydrophobicContact CD1-CG2 4.09Å; L1090-V1094 HydrophobicContact CG-CG2 4.37Å; L1090-V1094 WeakPolarHBondContact O-CB 3.32Å; L1090-V1094 VanDerWaalsContact O-CG2 3.27Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.27Å; L1090-V1094 PolarHBondContact O-N 3.49Å; Y1091-V1094 PolarHBondContact O-N 3.37Å; V1094-L1097 PolarHBondContact O-N 3.01Å; V1094-Y1098 WeakPolarHBondContact O-CB 3.08Å; V1094-Y1098 PolarHBondContact O-N 3.42Å |
| 1095 | A | 88.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F964 F1055 Y1091 F1092 L1093 Y1098 Y1099 | F964-A1095 HydrophobicContact CZ-CB 4.03Å; F1055-A1095 HydrophobicContact CE2-CB 4.04Å; F1055-A1095 HydrophobicContact CZ-CB 4.45Å; Y1091-A1095 HydrophobicContact CE2-CB 4.31Å; Y1091-A1095 WeakPolarHBondContact O-CB 3.36Å; Y1091-A1095 PolarHBondContact O-N 3.12Å; F1092-A1095 PolarHBondContact O-N 2.94Å; L1093-A1095 VanDerWaalsContact C-N 3.31Å; L1093-A1095 PolarHBondContact O-N 3.46Å; A1095-Y1098 PolarHBondContact O-N 2.87Å; A1095-Y1099 VanDerWaalsContact O-CD2 3.29Å; A1095-Y1099 WeakPolarHBondContact O-CD2 3.38Å; A1095-Y1099 PolarHBondContact O-N 3.44Å |
| 1096 | I | 88 | Confident | 83.6 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.6 | -66.9 | 164.5 | 0 | 0 | 0 | 110.4 | F1092 L1093 Y1098 E1100 M1119 | F1092-I1096 VanDerWaalsContact O-CG1 3.27Å; F1092-I1096 WeakPolarHBondContact O-CG1 3.1Å; F1092-I1096 PolarHBondContact O-N 2.94Å; L1093-I1096 PolarHBondContact O-N 3.01Å; I1096-Y1098 VanDerWaalsContact C-N 3.31Å; I1096-Y1098 PolarHBondContact O-N 3.37Å; I1096-E1100 HydrophobicContact CG2-CG 4.33Å; I1096-E1100 WeakPolarHBondContact O-CB 3.45Å; I1096-E1100 WeakPolarHBondContact O-CG 3.33Å; I1096-E1100 PolarHBondContact O-N 3.27Å; I1096-M1119 HydrophobicContact CD1-SD 4.44Å; I1096-M1119 HydrophobicContact CG1-CE 4.11Å; I1096-M1119 HydrophobicContact CG1-SD 4.39Å |
| 1097 | L | 86.8 | Confident | 81.8 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -61.3 | -40.1 | 179 | -69.3 | 172.1 | 0 | 0 | 0 | 112.2 | L1093 V1094 L1101 L1102 | L1093-L1097 HydrophobicContact CD1-CD1 4.23Å; L1093-L1097 HydrophobicContact CD1-CG 4.43Å; L1093-L1097 HydrophobicContact CG-CD1 4.01Å; L1093-L1097 WeakPolarHBondContact O-CB 3.05Å; L1093-L1097 VanDerWaalsContact O-CG 3.24Å; L1093-L1097 WeakPolarHBondContact O-CG 3.49Å; L1093-L1097 PolarHBondContact O-N 2.91Å; V1094-L1097 PolarHBondContact O-N 3.01Å; L1097-L1101 HydrophobicContact CD2-CB 4.38Å; L1097-L1101 HydrophobicContact CD2-CD2 3.53Å; L1097-L1101 WeakPolarHBondContact O-CB 3.46Å; L1097-L1101 PolarHBondContact O-N 3.18Å; L1097-L1102 PolarHBondContact O-N 2.65Å |
| 1098 | Y | 83.5 | Confident | 79.8 | Confident | 37 Ų | 37 | 68 Ų | 68 | 15% | 0.145 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -72.6 | -48.6 | -177.3 | -176.6 | -107.6 | 0 | 0 | 0 | 112.7 | L963 F964 V1094 A1095 I1096 L1102 | L963-Y1098 HydrophobicContact CB-CE2 4.49Å; L963-Y1098 HydrophobicContact CD2-CD1 4.39Å; L963-Y1098 HydrophobicContact CD2-CD2 3.26Å; L963-Y1098 HydrophobicContact CD2-CE1 4.4Å; L963-Y1098 HydrophobicContact CD2-CE2 3.33Å; L963-Y1098 HydrophobicContact CD2-CG 3.85Å; F964-Y1098 HydrophobicContact CE1-CD1 4.46Å; V1094-Y1098 WeakPolarHBondContact O-CB 3.08Å; V1094-Y1098 PolarHBondContact O-N 3.42Å; A1095-Y1098 PolarHBondContact O-N 2.87Å; I1096-Y1098 VanDerWaalsContact C-N 3.31Å; I1096-Y1098 PolarHBondContact O-N 3.37Å; Y1098-L1102 HydrophobicContact CD2-CD1 3.49Å; Y1098-L1102 VanDerWaalsContact CD2-CD1 3.49Å; Y1098-L1102 HydrophobicContact CE2-CD1 4.03Å; Y1098-L1102 HydrophobicContact CG-CD1 4.41Å |
| 1099 | Y | 83 | Confident | 78 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 7% | 0.071 | 38% | 0.376 | C | S | . | . | I | π-helix | trans | -82.3 | -19.7 | -175.5 | -71.2 | -62.6 | 0 | 0 | 0 | 114.5 | F964 F1055 A1095 G1111 Y1112 G1113 A1115 | F964-Y1099 AromaticContact CE2-CE2 3.4Å; F964-Y1099 HydrophobicContact CE2-CE2 3.4Å; F964-Y1099 AromaticContact CE2-CZ 3.78Å; F964-Y1099 WeakPolarHBondContact CE2-OH 3.48Å; F964-Y1099 HydrophobicContact CZ-CD2 4.18Å; F964-Y1099 AromaticContact CZ-CE2 3.43Å; F964-Y1099 HydrophobicContact CZ-CE2 3.43Å; F964-Y1099 VanDerWaalsContact CZ-CE2 3.43Å; F1055-Y1099 HydrophobicContact CD2-CD2 4.24Å; F1055-Y1099 AromaticContact CD2-CE2 3.62Å; F1055-Y1099 HydrophobicContact CD2-CE2 3.62Å; F1055-Y1099 HydrophobicContact CE2-CD2 4.13Å; F1055-Y1099 AromaticContact CE2-CE2 3.83Å; F1055-Y1099 HydrophobicContact CE2-CE2 3.83Å; A1095-Y1099 VanDerWaalsContact O-CD2 3.29Å; A1095-Y1099 WeakPolarHBondContact O-CD2 3.38Å; A1095-Y1099 PolarHBondContact O-N 3.44Å; Y1099-G1111 WeakPolarHBondContact CD1-O 3.39Å; Y1099-Y1112 VanDerWaalsContact O-CD2 3.24Å; Y1099-Y1112 WeakPolarHBondContact O-CD2 3.24Å; Y1099-G1113 PolarHBondContact O-N 3.19Å; Y1099-A1115 HydrophobicContact CD2-CB 3.86Å; Y1099-A1115 HydrophobicContact CG-CB 4.18Å |
| 1100 | E | 80.8 | Confident | 76.2 | Confident | 46 Ų | 46 | 78 Ų | 78 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | I | π-helix | trans | -114.4 | -44 | -174.9 | -51.7 | -59.8 | 150.5 | 0 | 0 | 113.7 | I1096 Y1112 G1113 W1116 | I1096-E1100 HydrophobicContact CG2-CG 4.33Å; I1096-E1100 WeakPolarHBondContact O-CB 3.45Å; I1096-E1100 WeakPolarHBondContact O-CG 3.33Å; I1096-E1100 PolarHBondContact O-N 3.27Å; E1100-Y1112 VanDerWaalsContact O-CE2 3.29Å; E1100-Y1112 WeakPolarHBondContact O-CE2 3.27Å; E1100-Y1112 PolarHBondContact O-OH 3.2Å; E1100-G1113 VanDerWaalsContact OE1-CA 3.29Å; E1100-G1113 WeakPolarHBondContact OE1-CA 3.29Å; E1100-W1116 HydrophobicContact CG-CB 4.49Å; E1100-W1116 VanDerWaalsContact OE1-CB 3.25Å; E1100-W1116 WeakPolarHBondContact OE1-CB 3.4Å; E1100-W1116 PolarHBondContact OE1-N 2.87Å |
| 1101 | L | 77.2 | Confident | 75 | Confident | 132 Ų | 132 | 75.5 Ų | 75.5 | 69% | 0.691 | 38% | 0.377 | S | S | * | . | I | π-helix | trans | -91.1 | -31 | -167.9 | -170.9 | 68.1 | 0 | 0 | 0 | 113.6 | L1097 | L1097-L1101 HydrophobicContact CD2-CB 4.38Å; L1097-L1101 HydrophobicContact CD2-CD2 3.53Å; L1097-L1101 WeakPolarHBondContact O-CB 3.46Å; L1097-L1101 PolarHBondContact O-N 3.18Å |
| 1102 | L | 73.3 | Confident | 74.1 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -70.2 | 136.7 | -177.8 | -77.7 | 171.1 | 0 | 0 | 0 | 111.2 | L1097 Y1098 Y1104 | L1097-L1102 PolarHBondContact O-N 2.65Å; Y1098-L1102 HydrophobicContact CD2-CD1 3.49Å; Y1098-L1102 VanDerWaalsContact CD2-CD1 3.49Å; Y1098-L1102 HydrophobicContact CE2-CD1 4.03Å; Y1098-L1102 HydrophobicContact CG-CD1 4.41Å; L1102-Y1104 PolarHBondContact O-N 2.92Å |
| 1103 | P | 66.7 | Low | 73.5 | Confident | 76 Ų | 76 | 81 Ų | 81 | 49% | 0.494 | 40% | 0.404 | S | S | . | . | trans | -53.8 | 141.6 | 176.8 | -23.7 | 31.4 | 0 | 0 | 0 | 111.7 | E1105 I1106 A1107 | P1103-E1105 PolarHBondContact O-N 3.49Å; P1103-I1106 PolarHBondContact O-N 3.36Å; P1103-A1107 PolarHBondContact O-N 3.1Å | ||
| 1104 | Y | 61.3 | Low | 72.9 | Confident | 163 Ų | 163 | 76.9 Ų | 76.9 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -29.7 | 179.1 | 175.7 | -98.9 | 0 | 0 | 0 | 114.2 | L1102 H1108 | L1102-Y1104 PolarHBondContact O-N 2.92Å; Y1104-H1108 AromaticContact CE1-CE1 3.51Å; Y1104-H1108 AromaticContact CE1-ND1 3.95Å; Y1104-H1108 AromaticContact CZ-CE1 3.99Å; Y1104-H1108 PolarHBondContact O-ND1 3.29Å |
| 1105 | E | 63.2 | Low | 72.7 | Confident | 170 Ų | 170 | 75.1 Ų | 75.1 | 79% | 0.794 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -29 | 178.8 | -61.8 | -173 | 178.5 | 0 | 0 | 113.9 | P1103 | P1103-E1105 PolarHBondContact O-N 3.49Š|
| 1106 | I | 62.3 | Low | 72.5 | Confident | 119 Ų | 119 | 83.7 Ų | 83.7 | 61% | 0.61 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -31.4 | 179.9 | -58.4 | 176 | 0 | 0 | 0 | 110.6 | P1103 H1108 | P1103-I1106 PolarHBondContact O-N 3.36Å; I1106-H1108 VanDerWaalsContact C-N 3.33Å; I1106-H1108 PolarHBondContact O-N 3.02Å |
| 1107 | A | 56.7 | Low | 72.1 | Confident | 14 Ų | 14 | 83.2 Ų | 83.2 | 12% | 0.116 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -87.5 | 10.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1103 Q1109 | P1103-A1107 PolarHBondContact O-N 3.1Å; A1107-Q1109 PolarHBondContact O-N 3.26Å |
| 1108 | H | 53.2 | Low | 72.1 | Confident | 114 Ų | 114 | 79.6 Ų | 79.6 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 104.4 | -177.1 | -109.9 | 40.9 | 0 | 0 | 0 | 114.4 | Y1104 I1106 | Y1104-H1108 AromaticContact CE1-CE1 3.51Å; Y1104-H1108 AromaticContact CE1-ND1 3.95Å; Y1104-H1108 AromaticContact CZ-CE1 3.99Å; Y1104-H1108 PolarHBondContact O-ND1 3.29Å; I1106-H1108 VanDerWaalsContact C-N 3.33Å; I1106-H1108 PolarHBondContact O-N 3.02Å |
| 1109 | Q | 56.6 | Low | 72.2 | Confident | 163 Ų | 163 | 79.5 Ų | 79.5 | 76% | 0.762 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | 177.1 | -18.6 | 96 | -96.4 | -171.3 | -6.6 | 0 | 0 | 113.2 | A1107 | A1107-Q1109 PolarHBondContact O-N 3.26Š| |
| 1110 | N | 57.7 | Low | 72.4 | Confident | 140 Ų | 140 | 82.1 Ų | 82.1 | 75% | 0.749 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.5 | 9.9 | -174.1 | -77.6 | -45.9 | 0 | 0 | 0 | 117.4 | A1051 | A1051-N1110 WeakPolarHBondContact CB-O 3.48Š|
| 1111 | G | 67.4 | Low | 72.5 | Confident | 11 Ų | 11 | 82.6 Ų | 82.6 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | trans | -128 | -9.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | Y1099 G1113 T1114 | Y1099-G1111 WeakPolarHBondContact CD1-O 3.39Å; G1111-G1113 PolarHBondContact O-N 2.91Å; G1111-T1114 WeakPolarHBondContact O-CB 3.34Å; G1111-T1114 PolarHBondContact O-N 2.81Å; G1111-T1114 PolarHBondContact O-OG1 2.95Å | ||
| 1112 | Y | 76 | Confident | 72.9 | Confident | 133 Ų | 133 | 80.3 Ų | 80.3 | 52% | 0.522 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 132.6 | -173.2 | -169.6 | -97.8 | 0 | 0 | 0 | 111.9 | Y1099 E1100 T1114 | Y1099-Y1112 VanDerWaalsContact O-CD2 3.24Å; Y1099-Y1112 WeakPolarHBondContact O-CD2 3.24Å; E1100-Y1112 VanDerWaalsContact O-CE2 3.29Å; E1100-Y1112 WeakPolarHBondContact O-CE2 3.27Å; E1100-Y1112 PolarHBondContact O-OH 3.2Å; Y1112-T1114 PolarHBondContact O-N 3.36Å |
| 1113 | G | 79 | Confident | 73.3 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -3.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y1099 E1100 G1111 A1115 Q1117 | Y1099-G1113 PolarHBondContact O-N 3.19Å; E1100-G1113 VanDerWaalsContact OE1-CA 3.29Å; E1100-G1113 WeakPolarHBondContact OE1-CA 3.29Å; G1111-G1113 PolarHBondContact O-N 2.91Å; G1113-A1115 VanDerWaalsContact C-N 3.32Å; G1113-A1115 PolarHBondContact O-N 2.92Å; G1113-Q1117 WeakPolarHBondContact O-CB 3.31Å; G1113-Q1117 PolarHBondContact O-N 3.31Å; G1113-Q1117 VanDerWaalsContact O-N 3.07Å |
| 1114 | T | 81.2 | Confident | 74.3 | Confident | 9 Ų | 9 | 77 Ų | 77 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | -176.2 | -60 | 0 | 0 | 0 | 0 | 111.7 | A1051 P1052 F1055 G1111 Y1112 M1118 | A1051-T1114 HydrophobicContact CB-CG2 4.4Å; P1052-T1114 HydrophobicContact CG-CG2 4.5Å; F1055-T1114 HydrophobicContact CB-CG2 3.98Å; F1055-T1114 HydrophobicContact CG-CG2 4.38Å; G1111-T1114 WeakPolarHBondContact O-CB 3.34Å; G1111-T1114 PolarHBondContact O-N 2.81Å; G1111-T1114 PolarHBondContact O-OG1 2.95Å; Y1112-T1114 PolarHBondContact O-N 3.36Å; T1114-M1118 HydrophobicContact CG2-CG 4.08Å; T1114-M1118 WeakPolarHBondContact O-CB 3.39Å; T1114-M1118 VanDerWaalsContact O-CG 3.29Å; T1114-M1118 WeakPolarHBondContact O-CG 3.29Å; T1114-M1118 PolarHBondContact O-N 3.46Å |
| 1115 | A | 84.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.8 | -50.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1055 Y1099 G1113 Q1117 M1118 M1119 | F1055-A1115 HydrophobicContact CE2-CB 4.2Å; F1055-A1115 HydrophobicContact CZ-CB 4.03Å; Y1099-A1115 HydrophobicContact CD2-CB 3.86Å; Y1099-A1115 HydrophobicContact CG-CB 4.18Å; G1113-A1115 VanDerWaalsContact C-N 3.32Å; G1113-A1115 PolarHBondContact O-N 2.92Å; A1115-Q1117 PolarHBondContact O-N 3.44Å; A1115-M1118 PolarHBondContact O-N 2.93Å; A1115-M1119 HydrophobicContact CB-CE 4.3Å; A1115-M1119 VanDerWaalsContact O-CB 3.28Å; A1115-M1119 WeakPolarHBondContact O-CB 3.2Å; A1115-M1119 WeakPolarHBondContact O-CG 3.25Å; A1115-M1119 PolarHBondContact O-N 2.61Å |
| 1116 | W | 83.2 | Confident | 77 | Confident | 180 Ų | 180 | 72.2 Ų | 72.2 | 68% | 0.682 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 178.2 | -173.5 | -93.8 | 0 | 0 | 0 | 111.9 | E1100 S1120 | E1100-W1116 HydrophobicContact CG-CB 4.49Å; E1100-W1116 VanDerWaalsContact OE1-CB 3.25Å; E1100-W1116 WeakPolarHBondContact OE1-CB 3.4Å; E1100-W1116 PolarHBondContact OE1-N 2.87Å; W1116-S1120 WeakPolarHBondContact O-CB 3.37Å; W1116-S1120 PolarHBondContact O-N 3.13Å; W1116-S1120 VanDerWaalsContact O-N 3.12Å; W1116-S1120 PolarHBondContact O-OG 3.42Å |
| 1117 | Q | 80.7 | Confident | 78.3 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -51.1 | 179 | -171.7 | -178.2 | 3.7 | 0 | 0 | 111.4 | G1113 A1115 S1120 Y1121 | G1113-Q1117 WeakPolarHBondContact O-CB 3.31Å; G1113-Q1117 PolarHBondContact O-N 3.31Å; G1113-Q1117 VanDerWaalsContact O-N 3.07Å; A1115-Q1117 PolarHBondContact O-N 3.44Å; Q1117-S1120 PolarHBondContact O-N 3.42Å; Q1117-Y1121 HydrophobicContact CG-CD2 4.46Å; Q1117-Y1121 HydrophobicContact CG-CE2 3.67Å; Q1117-Y1121 PolarHBondContact NE2-OH 3.18Å; Q1117-Y1121 VanDerWaalsContact O-CD2 3.31Å; Q1117-Y1121 WeakPolarHBondContact O-CD2 3.2Å |
| 1118 | M | 85.8 | Confident | 80 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.4 | -42.1 | -178.2 | -69.8 | -60 | 119.1 | 0 | 0 | 112.6 | M1035 T1046 P1052 F1055 T1114 A1115 S1120 Y1121 F1124 | M1035-M1118 HydrophobicContact CE-SD 3.96Å; T1046-M1118 HydrophobicContact CG2-CE 4.01Å; P1052-M1118 HydrophobicContact CB-CE 3.47Å; P1052-M1118 VanDerWaalsContact CB-CE 3.47Å; P1052-M1118 HydrophobicContact CB-CG 4.33Å; P1052-M1118 HydrophobicContact CB-SD 3.67Å; P1052-M1118 HydrophobicContact CG-CE 3.73Å; F1055-M1118 HydrophobicContact CD1-CB 3.74Å; F1055-M1118 HydrophobicContact CD1-CG 4.09Å; F1055-M1118 HydrophobicContact CE1-CB 4.14Å; T1114-M1118 HydrophobicContact CG2-CG 4.08Å; T1114-M1118 WeakPolarHBondContact O-CB 3.39Å; T1114-M1118 VanDerWaalsContact O-CG 3.29Å; T1114-M1118 WeakPolarHBondContact O-CG 3.29Å; T1114-M1118 PolarHBondContact O-N 3.46Å; A1115-M1118 PolarHBondContact O-N 2.93Å; M1118-S1120 PolarHBondContact O-N 3.45Å; M1118-Y1121 HydrophobicContact CE-CD2 4.03Å; M1118-Y1121 HydrophobicContact CE-CE2 3.97Å; M1118-Y1121 PolarHBondContact O-N 3.46Å; M1118-Y1121 VanDerWaalsContact O-N 3.11Å; M1118-Y1121 HydrophobicContact SD-CD2 4.4Å; M1118-F1124 HydrophobicContact CB-CD2 4.04Å; M1118-F1124 HydrophobicContact CB-CE2 4.47Å; M1118-F1124 HydrophobicContact CB-CG 4.4Å; M1118-F1124 WeakPolarHBondContact O-CB 3.36Å; M1118-F1124 WeakPolarHBondContact O-CG 3.48Å |
| 1119 | M | 86.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 18% | 0.177 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -23.4 | 178.6 | -70.8 | -175.5 | -161.4 | 0 | 0 | 113 | F1055 F1092 I1096 A1115 F1124 W1125 | F1055-M1119 HydrophobicContact CE1-CE 4.11Å; F1055-M1119 HydrophobicContact CE1-CG 4.35Å; F1055-M1119 HydrophobicContact CZ-CE 3.56Å; F1092-M1119 HydrophobicContact CD1-CE 3.68Å; F1092-M1119 HydrophobicContact CE1-CE 4.21Å; I1096-M1119 HydrophobicContact CD1-SD 4.44Å; I1096-M1119 HydrophobicContact CG1-CE 4.11Å; I1096-M1119 HydrophobicContact CG1-SD 4.39Å; A1115-M1119 HydrophobicContact CB-CE 4.3Å; A1115-M1119 VanDerWaalsContact O-CB 3.28Å; A1115-M1119 WeakPolarHBondContact O-CB 3.2Å; A1115-M1119 WeakPolarHBondContact O-CG 3.25Å; A1115-M1119 PolarHBondContact O-N 2.61Å; M1119-F1124 HydrophobicContact CG-CE1 4.06Å; M1119-F1124 HydrophobicContact CG-CZ 4.42Å; M1119-W1125 HydrophobicContact CB-CZ2 4.38Å; M1119-W1125 HydrophobicContact CG-CZ2 4.31Å; M1119-W1125 PolarHBondContact O-NE1 3.22Å |
| 1120 | S | 85.8 | Confident | 83.6 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -75.8 | -26.2 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | W1116 Q1117 M1118 | W1116-S1120 WeakPolarHBondContact O-CB 3.37Å; W1116-S1120 PolarHBondContact O-N 3.13Å; W1116-S1120 VanDerWaalsContact O-N 3.12Å; W1116-S1120 PolarHBondContact O-OG 3.42Å; Q1117-S1120 PolarHBondContact O-N 3.42Å; M1118-S1120 PolarHBondContact O-N 3.45Å |
| 1121 | Y | 83.2 | Confident | 85.4 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -81.9 | 134 | -179.5 | -66.6 | -47 | 0 | 0 | 0 | 112.3 | D1040 T1046 Q1117 M1118 N1123 F1124 | D1040-Y1121 HydrophobicContact CB-CE1 4.34Å; T1046-Y1121 HydrophobicContact CG2-CE2 4.04Å; Q1117-Y1121 HydrophobicContact CG-CD2 4.46Å; Q1117-Y1121 HydrophobicContact CG-CE2 3.67Å; Q1117-Y1121 PolarHBondContact NE2-OH 3.18Å; Q1117-Y1121 VanDerWaalsContact O-CD2 3.31Å; Q1117-Y1121 WeakPolarHBondContact O-CD2 3.2Å; M1118-Y1121 HydrophobicContact CE-CD2 4.03Å; M1118-Y1121 HydrophobicContact CE-CE2 3.97Å; M1118-Y1121 PolarHBondContact O-N 3.46Å; M1118-Y1121 VanDerWaalsContact O-N 3.11Å; M1118-Y1121 HydrophobicContact SD-CD2 4.4Å; Y1121-N1123 VanDerWaalsContact C-N 3.25Å; Y1121-N1123 PolarHBondContact O-N 2.88Å; Y1121-F1124 WeakPolarHBondContact O-CB 3.39Å; Y1121-F1124 PolarHBondContact O-N 3.07Å |
| 1122 | P | 85.6 | Confident | 86.7 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.6 | -29.5 | 176.7 | 26.1 | -33.7 | 0 | 0 | 0 | 112.6 | F1124 W1125 L1126 | P1122-F1124 PolarHBondContact O-N 3.44Å; P1122-W1125 PolarHBondContact O-N 3.18Å; P1122-L1126 WeakPolarHBondContact O-CG 3.31Å; P1122-L1126 PolarHBondContact O-N 3.43Å |
| 1123 | N | 82.6 | Confident | 87.5 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -34.3 | 179.1 | -69.8 | -5.9 | 0 | 0 | 0 | 112.4 | N1038 Y1121 S1127 | N1038-N1123 PolarHBondContact OD1-ND2 3.01Å; Y1121-N1123 VanDerWaalsContact C-N 3.25Å; Y1121-N1123 PolarHBondContact O-N 2.88Å; N1123-S1127 VanDerWaalsContact O-CB 3.26Å; N1123-S1127 WeakPolarHBondContact O-CB 3.37Å; N1123-S1127 PolarHBondContact O-N 3.32Å; N1123-S1127 PolarHBondContact O-OG 3.41Å |
| 1124 | F | 87 | Confident | 88.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -53.3 | 175.8 | 168.5 | -99.5 | 0 | 0 | 0 | 111.4 | F1055 T1056 M1118 M1119 Y1121 P1122 S1127 I1128 | F1055-F1124 HydrophobicContact CD1-CD2 4.44Å; F1055-F1124 AromaticContact CD1-CE2 3.7Å; F1055-F1124 HydrophobicContact CD1-CE2 3.7Å; F1055-F1124 HydrophobicContact CD1-CZ 4.28Å; F1055-F1124 AromaticContact CE1-CE2 3.6Å; F1055-F1124 HydrophobicContact CE1-CE2 3.6Å; F1055-F1124 AromaticContact CE1-CZ 3.7Å; F1055-F1124 HydrophobicContact CE1-CZ 3.7Å; T1056-F1124 HydrophobicContact CG2-CD2 3.98Å; T1056-F1124 HydrophobicContact CG2-CE2 4.46Å; T1056-F1124 WeakPolarHBondContact OG1-CD2 3.36Å; M1118-F1124 HydrophobicContact CB-CD2 4.04Å; M1118-F1124 HydrophobicContact CB-CE2 4.47Å; M1118-F1124 HydrophobicContact CB-CG 4.4Å; M1118-F1124 WeakPolarHBondContact O-CB 3.36Å; M1118-F1124 WeakPolarHBondContact O-CG 3.48Å; M1119-F1124 HydrophobicContact CG-CE1 4.06Å; M1119-F1124 HydrophobicContact CG-CZ 4.42Å; Y1121-F1124 WeakPolarHBondContact O-CB 3.39Å; Y1121-F1124 PolarHBondContact O-N 3.07Å; P1122-F1124 PolarHBondContact O-N 3.44Å; F1124-S1127 PolarHBondContact O-N 3.03Å; F1124-I1128 HydrophobicContact CD1-CD1 4.08Å; F1124-I1128 HydrophobicContact CD2-CD1 4.17Å; F1124-I1128 HydrophobicContact CE1-CD1 3.57Å; F1124-I1128 HydrophobicContact CE2-CD1 3.69Å; F1124-I1128 HydrophobicContact CG-CD1 4.36Å; F1124-I1128 HydrophobicContact CZ-CD1 3.36Å; F1124-I1128 WeakPolarHBondContact O-CG1 3.21Å; F1124-I1128 PolarHBondContact O-N 3.26Å; F1124-I1128 VanDerWaalsContact O-N 3.09Å |
| 1125 | W | 90.5 | Very high | 88.9 | Confident | 118 Ų | 118 | 56.1 Ų | 56.1 | 45% | 0.447 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | -179 | -64.7 | 105.8 | 0 | 0 | 0 | 112.5 | F1092 M1119 P1122 S1127 I1128 V1129 | F1092-W1125 HydrophobicContact CE1-CH2 4.29Å; F1092-W1125 HydrophobicContact CZ-CH2 4.37Å; F1092-W1125 HydrophobicContact CZ-CZ3 4.38Å; M1119-W1125 HydrophobicContact CB-CZ2 4.38Å; M1119-W1125 HydrophobicContact CG-CZ2 4.31Å; M1119-W1125 PolarHBondContact O-NE1 3.22Å; P1122-W1125 PolarHBondContact O-N 3.18Å; W1125-S1127 VanDerWaalsContact C-N 3.34Å; W1125-S1127 PolarHBondContact O-N 3.01Å; W1125-I1128 PolarHBondContact O-N 3.46Å; W1125-V1129 WeakPolarHBondContact O-CG2 3.44Å; W1125-V1129 PolarHBondContact O-N 3.12Å |
| 1126 | L | 90.5 | Very high | 89.2 | Confident | 115 Ų | 115 | 57 Ų | 57 | 60% | 0.602 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.2 | -41.5 | 176.2 | -73.3 | 173 | 0 | 0 | 0 | 111.8 | P1122 V1129 L1130 | P1122-L1126 WeakPolarHBondContact O-CG 3.31Å; P1122-L1126 PolarHBondContact O-N 3.43Å; L1126-V1129 PolarHBondContact O-N 3.03Å; L1126-L1130 VanDerWaalsContact O-CB 3.28Å; L1126-L1130 WeakPolarHBondContact O-CB 3.18Å; L1126-L1130 PolarHBondContact O-N 2.99Å |
| 1127 | S | 89.1 | Confident | 89.6 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -46 | 176.4 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | N1123 F1124 W1125 V1129 L1130 I1131 | N1123-S1127 VanDerWaalsContact O-CB 3.26Å; N1123-S1127 WeakPolarHBondContact O-CB 3.37Å; N1123-S1127 PolarHBondContact O-N 3.32Å; N1123-S1127 PolarHBondContact O-OG 3.41Å; F1124-S1127 PolarHBondContact O-N 3.03Å; W1125-S1127 VanDerWaalsContact C-N 3.34Å; W1125-S1127 PolarHBondContact O-N 3.01Å; S1127-V1129 PolarHBondContact O-N 3.37Å; S1127-L1130 PolarHBondContact O-N 2.66Å; S1127-I1131 WeakPolarHBondContact O-CB 3.47Å; S1127-I1131 VanDerWaalsContact O-CD1 3.28Å; S1127-I1131 WeakPolarHBondContact O-CD1 3.47Å; S1127-I1131 WeakPolarHBondContact O-CG1 3.4Å; S1127-I1131 PolarHBondContact O-N 3.09Å |
| 1128 | I | 92.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 177.7 | -69.5 | 171.4 | 0 | 0 | 0 | 111.3 | A1060 V1063 F1124 W1125 T1132 | A1060-I1128 HydrophobicContact CB-CG1 4.16Å; V1063-I1128 HydrophobicContact CB-CG2 4.01Å; V1063-I1128 HydrophobicContact CG1-CG2 3.94Å; V1063-I1128 HydrophobicContact CG2-CG2 3.99Å; F1124-I1128 HydrophobicContact CD1-CD1 4.08Å; F1124-I1128 HydrophobicContact CD2-CD1 4.17Å; F1124-I1128 HydrophobicContact CE1-CD1 3.57Å; F1124-I1128 HydrophobicContact CE2-CD1 3.69Å; F1124-I1128 HydrophobicContact CG-CD1 4.36Å; F1124-I1128 HydrophobicContact CZ-CD1 3.36Å; F1124-I1128 WeakPolarHBondContact O-CG1 3.21Å; F1124-I1128 PolarHBondContact O-N 3.26Å; F1124-I1128 VanDerWaalsContact O-N 3.09Å; W1125-I1128 PolarHBondContact O-N 3.46Å; I1128-T1132 WeakPolarHBondContact O-CB 3.31Å; I1128-T1132 PolarHBondContact O-N 3.3Å; I1128-T1132 PolarHBondContact O-OG1 2.87Å |
| 1129 | V | 93.3 | Very high | 90.2 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 178.8 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | W1125 L1126 S1127 I1131 T1132 V1133 | W1125-V1129 WeakPolarHBondContact O-CG2 3.44Å; W1125-V1129 PolarHBondContact O-N 3.12Å; L1126-V1129 PolarHBondContact O-N 3.03Å; S1127-V1129 PolarHBondContact O-N 3.37Å; V1129-I1131 PolarHBondContact O-N 2.79Å; V1129-T1132 PolarHBondContact O-N 3.48Å; V1129-V1133 HydrophobicContact CG1-CG2 4.36Å; V1129-V1133 WeakPolarHBondContact O-CB 3.3Å; V1129-V1133 VanDerWaalsContact O-CG2 3.3Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.47Å; V1129-V1133 PolarHBondContact O-N 2.86Å |
| 1130 | L | 93.4 | Very high | 90.3 | Very high | 100 Ų | 100 | 55.4 Ų | 55.4 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.7 | -49.7 | 178.6 | 177.2 | 63.8 | 0 | 0 | 0 | 111.5 | I1030 L1126 S1127 T1132 V1133 L1134 | I1030-L1130 HydrophobicContact CG2-CD2 4.24Å; L1126-L1130 VanDerWaalsContact O-CB 3.28Å; L1126-L1130 WeakPolarHBondContact O-CB 3.18Å; L1126-L1130 PolarHBondContact O-N 2.99Å; S1127-L1130 PolarHBondContact O-N 2.66Å; L1130-T1132 PolarHBondContact O-N 3.33Å; L1130-V1133 PolarHBondContact O-N 2.88Å; L1130-L1134 WeakPolarHBondContact O-CB 3.37Å; L1130-L1134 PolarHBondContact O-N 2.56Å |
| 1131 | I | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 179.4 | -70.3 | 163 | 0 | 0 | 0 | 110.7 | V1026 L1027 I1030 P1031 A1060 S1127 V1129 V1133 L1134 L1135 | V1026-I1131 HydrophobicContact CG1-CG2 4.46Å; L1027-I1131 HydrophobicContact CD2-CG2 3.77Å; I1030-I1131 HydrophobicContact CB-CD1 4.19Å; I1030-I1131 HydrophobicContact CB-CG1 3.94Å; I1030-I1131 HydrophobicContact CD1-CG1 4.16Å; I1030-I1131 HydrophobicContact CG2-CD1 4.03Å; I1030-I1131 HydrophobicContact CG2-CG1 3.74Å; P1031-I1131 HydrophobicContact CG-CD1 3.42Å; P1031-I1131 VanDerWaalsContact CG-CD1 3.42Å; A1060-I1131 HydrophobicContact CB-CD1 3.9Å; A1060-I1131 HydrophobicContact CB-CG2 4.25Å; S1127-I1131 WeakPolarHBondContact O-CB 3.47Å; S1127-I1131 VanDerWaalsContact O-CD1 3.28Å; S1127-I1131 WeakPolarHBondContact O-CD1 3.47Å; S1127-I1131 WeakPolarHBondContact O-CG1 3.4Å; S1127-I1131 PolarHBondContact O-N 3.09Å; V1129-I1131 PolarHBondContact O-N 2.79Å; I1131-V1133 PolarHBondContact O-N 3.3Å; I1131-L1134 PolarHBondContact O-N 3.15Å; I1131-L1135 HydrophobicContact CG2-CD1 3.61Å; I1131-L1135 HydrophobicContact CG2-CG 4.48Å; I1131-L1135 WeakPolarHBondContact O-CB 3.49Å; I1131-L1135 VanDerWaalsContact O-CG 3.3Å; I1131-L1135 WeakPolarHBondContact O-CG 3.49Å; I1131-L1135 PolarHBondContact O-N 2.99Å |
| 1132 | T | 94 | Very high | 90.8 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | -179.5 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | V1063 A1067 I1128 V1129 L1130 L1135 M1136 | V1063-T1132 HydrophobicContact CG1-CG2 4.36Å; A1067-T1132 HydrophobicContact CB-CG2 4.02Å; I1128-T1132 WeakPolarHBondContact O-CB 3.31Å; I1128-T1132 PolarHBondContact O-N 3.3Å; I1128-T1132 PolarHBondContact O-OG1 2.87Å; V1129-T1132 PolarHBondContact O-N 3.48Å; L1130-T1132 PolarHBondContact O-N 3.33Å; T1132-L1135 PolarHBondContact O-N 3.08Å; T1132-M1136 HydrophobicContact CG2-CG 4.15Å; T1132-M1136 WeakPolarHBondContact O-CB 3.49Å; T1132-M1136 WeakPolarHBondContact O-CG 3.31Å; T1132-M1136 PolarHBondContact O-N 2.68Å |
| 1133 | V | 93.9 | Very high | 90.8 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 47% | 0.473 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | V1129 L1130 I1131 L1135 M1136 I1137 | V1129-V1133 HydrophobicContact CG1-CG2 4.36Å; V1129-V1133 WeakPolarHBondContact O-CB 3.3Å; V1129-V1133 VanDerWaalsContact O-CG2 3.3Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.47Å; V1129-V1133 PolarHBondContact O-N 2.86Å; L1130-V1133 PolarHBondContact O-N 2.88Å; I1131-V1133 PolarHBondContact O-N 3.3Å; V1133-L1135 VanDerWaalsContact C-N 3.26Å; V1133-L1135 PolarHBondContact O-N 3.29Å; V1133-M1136 PolarHBondContact O-N 3.37Å; V1133-I1137 HydrophobicContact CG1-CD1 3.79Å; V1133-I1137 HydrophobicContact CG1-CG1 4.39Å; V1133-I1137 VanDerWaalsContact O-CG1 3.29Å; V1133-I1137 WeakPolarHBondContact O-CG1 3.31Å; V1133-I1137 PolarHBondContact O-N 2.9Å; V1133-I1137 VanDerWaalsContact O-N 3.13Å |
| 1134 | L | 94.1 | Very high | 91 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | -179.3 | -175.1 | 65.7 | 0 | 0 | 0 | 112 | V1026 I1030 L1130 I1131 P1138 | V1026-L1134 HydrophobicContact CG1-CD2 3.83Å; I1030-L1134 HydrophobicContact CD1-CD2 3.6Å; L1130-L1134 WeakPolarHBondContact O-CB 3.37Å; L1130-L1134 PolarHBondContact O-N 2.56Å; I1131-L1134 PolarHBondContact O-N 3.15Å; L1134-P1138 WeakPolarHBondContact O-CD 3.34Å |
| 1135 | L | 94.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -80.6 | -28.3 | -179.2 | -69.8 | 173.1 | 0 | 0 | 0 | 113.7 | F1022 T1023 V1026 L1027 T1064 I1131 T1132 V1133 P1139 | F1022-L1135 HydrophobicContact CD1-CD2 4.01Å; F1022-L1135 HydrophobicContact CE1-CD2 3.87Å; T1023-L1135 HydrophobicContact CG2-CD1 4.08Å; V1026-L1135 HydrophobicContact CB-CD1 4.24Å; V1026-L1135 HydrophobicContact CB-CD2 3.75Å; V1026-L1135 HydrophobicContact CB-CG 4.21Å; V1026-L1135 HydrophobicContact CG1-CD1 3.96Å; V1026-L1135 HydrophobicContact CG1-CD2 3.86Å; V1026-L1135 HydrophobicContact CG1-CG 3.82Å; V1026-L1135 HydrophobicContact CG2-CD2 3.85Å; L1027-L1135 HydrophobicContact CD2-CD1 4.4Å; L1027-L1135 HydrophobicContact CG-CD1 4.15Å; T1064-L1135 HydrophobicContact CG2-CB 3.95Å; T1064-L1135 HydrophobicContact CG2-CD1 3.64Å; T1064-L1135 HydrophobicContact CG2-CG 4.43Å; I1131-L1135 HydrophobicContact CG2-CD1 3.61Å; I1131-L1135 HydrophobicContact CG2-CG 4.48Å; I1131-L1135 WeakPolarHBondContact O-CB 3.49Å; I1131-L1135 VanDerWaalsContact O-CG 3.3Å; I1131-L1135 WeakPolarHBondContact O-CG 3.49Å; I1131-L1135 PolarHBondContact O-N 2.99Å; T1132-L1135 PolarHBondContact O-N 3.08Å; V1133-L1135 VanDerWaalsContact C-N 3.26Å; V1133-L1135 PolarHBondContact O-N 3.29Å; L1135-P1139 WeakPolarHBondContact O-CD 3.23Å; L1135-P1139 WeakPolarHBondContact O-CG 3.18Å |
| 1136 | M | 91.9 | Very high | 90.9 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -81.9 | -24.7 | 178.6 | -67.9 | -54.6 | 116.2 | 0 | 0 | 113.6 | T1064 A1067 Q1068 I1071 T1132 V1133 P1139 V1140 | T1064-M1136 HydrophobicContact CG2-CE 3.54Å; T1064-M1136 VanDerWaalsContact O-CE 3.31Å; T1064-M1136 WeakPolarHBondContact O-CE 3.41Å; A1067-M1136 HydrophobicContact CB-CE 4.29Å; A1067-M1136 HydrophobicContact CB-CG 4.34Å; A1067-M1136 HydrophobicContact CB-SD 4.02Å; Q1068-M1136 HydrophobicContact CB-CE 4.01Å; Q1068-M1136 HydrophobicContact CB-SD 4.37Å; Q1068-M1136 PolarHBondContact OE1-SD 3.33Å; I1071-M1136 HydrophobicContact CD1-CB 4.34Å; I1071-M1136 HydrophobicContact CD1-CG 4.08Å; I1071-M1136 HydrophobicContact CD1-SD 3.59Å; I1071-M1136 VanDerWaalsContact CD1-SD 3.59Å; T1132-M1136 HydrophobicContact CG2-CG 4.15Å; T1132-M1136 WeakPolarHBondContact O-CB 3.49Å; T1132-M1136 WeakPolarHBondContact O-CG 3.31Å; T1132-M1136 PolarHBondContact O-N 2.68Å; V1133-M1136 PolarHBondContact O-N 3.37Å; M1136-P1139 WeakPolarHBondContact O-CD 3.45Å; M1136-V1140 WeakPolarHBondContact O-CB 3.31Å; M1136-V1140 WeakPolarHBondContact O-CG2 3.04Å; M1136-V1140 PolarHBondContact O-N 3.24Å |
| 1137 | I | 92.2 | Very high | 90.6 | Very high | 93 Ų | 93 | 60.2 Ų | 60.2 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.5 | -52.5 | -178.9 | -74.6 | 163.6 | 0 | 0 | 0 | 112.7 | V1133 V1140 S1141 | V1133-I1137 HydrophobicContact CG1-CD1 3.79Å; V1133-I1137 HydrophobicContact CG1-CG1 4.39Å; V1133-I1137 VanDerWaalsContact O-CG1 3.29Å; V1133-I1137 WeakPolarHBondContact O-CG1 3.31Å; V1133-I1137 PolarHBondContact O-N 2.9Å; V1133-I1137 VanDerWaalsContact O-N 3.13Å; I1137-V1140 PolarHBondContact O-N 3.47Å; I1137-S1141 VanDerWaalsContact O-CB 3.29Å; I1137-S1141 WeakPolarHBondContact O-CB 3.44Å; I1137-S1141 PolarHBondContact O-N 3.14Å; I1137-S1141 PolarHBondContact O-OG 3.38Å |
| 1138 | P | 90.2 | Very high | 90.5 | Very high | 55 Ų | 55 | 65.3 Ų | 65.3 | 36% | 0.357 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | -176.8 | -17.4 | 27.6 | 0 | 0 | 0 | 113.6 | L1134 V1140 S1141 L1142 | L1134-P1138 WeakPolarHBondContact O-CD 3.34Å; P1138-V1140 PolarHBondContact O-N 3.02Å; P1138-S1141 PolarHBondContact O-N 3.22Å; P1138-L1142 WeakPolarHBondContact O-CB 3.1Å; P1138-L1142 WeakPolarHBondContact O-CG 3.5Å; P1138-L1142 PolarHBondContact O-N 3.02Å |
| 1139 | P | 88.1 | Confident | 90.3 | Very high | 31 Ų | 31 | 71 Ų | 71 | 20% | 0.201 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 177.1 | -23.1 | 32.1 | 0 | 0 | 0 | 113.5 | L1135 M1136 R1143 | L1135-P1139 WeakPolarHBondContact O-CD 3.23Å; L1135-P1139 WeakPolarHBondContact O-CG 3.18Å; M1136-P1139 WeakPolarHBondContact O-CD 3.45Å; P1139-R1143 WeakPolarHBondContact O-CB 3.32Å; P1139-R1143 VanDerWaalsContact O-CG 3.3Å; P1139-R1143 WeakPolarHBondContact O-CG 3.37Å; P1139-R1143 PolarHBondContact O-N 3.12Å |
| 1140 | V | 89.9 | Confident | 90 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I1071 M1136 I1137 P1138 R1143 F1144 | I1071-V1140 HydrophobicContact CD1-CG2 3.95Å; I1071-V1140 HydrophobicContact CG2-CG2 4.04Å; M1136-V1140 WeakPolarHBondContact O-CB 3.31Å; M1136-V1140 WeakPolarHBondContact O-CG2 3.04Å; M1136-V1140 PolarHBondContact O-N 3.24Å; I1137-V1140 PolarHBondContact O-N 3.47Å; P1138-V1140 PolarHBondContact O-N 3.02Å; V1140-R1143 PolarHBondContact O-N 2.82Å; V1140-F1144 WeakPolarHBondContact O-CB 3.39Å; V1140-F1144 PolarHBondContact O-N 3.39Å |
| 1141 | S | 90.7 | Very high | 89.6 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | I1137 P1138 R1143 F1144 L1145 | I1137-S1141 VanDerWaalsContact O-CB 3.29Å; I1137-S1141 WeakPolarHBondContact O-CB 3.44Å; I1137-S1141 PolarHBondContact O-N 3.14Å; I1137-S1141 PolarHBondContact O-OG 3.38Å; P1138-S1141 PolarHBondContact O-N 3.22Å; S1141-R1143 VanDerWaalsContact C-N 3.34Å; S1141-R1143 PolarHBondContact O-N 3.34Å; S1141-F1144 PolarHBondContact O-N 2.8Å; S1141-L1145 WeakPolarHBondContact O-CB 3.32Å; S1141-L1145 VanDerWaalsContact O-CG 3.31Å; S1141-L1145 WeakPolarHBondContact O-CG 3.35Å; S1141-L1145 PolarHBondContact O-N 3.05Å |
| 1142 | L | 86.9 | Confident | 89.1 | Confident | 92 Ų | 92 | 73.1 Ų | 73.1 | 48% | 0.482 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 176.6 | -75.2 | 171.8 | 0 | 0 | 0 | 111.8 | P1138 L1145 C1146 | P1138-L1142 WeakPolarHBondContact O-CB 3.1Å; P1138-L1142 WeakPolarHBondContact O-CG 3.5Å; P1138-L1142 PolarHBondContact O-N 3.02Å; L1142-L1145 PolarHBondContact O-N 3.36Å; L1142-C1146 VanDerWaalsContact O-CB 3.29Å; L1142-C1146 WeakPolarHBondContact O-CB 3.28Å; L1142-C1146 PolarHBondContact O-N 2.91Å; L1142-C1146 PolarHBondContact O-SG 3.47Å |
| 1143 | R | 85.6 | Confident | 88.7 | Confident | 92 Ų | 92 | 75.2 Ų | 75.2 | 35% | 0.347 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176.3 | -79.1 | -178.7 | 177.9 | 169.7 | 10.7 | 112.6 | I1071 D1072 P1139 V1140 S1141 C1146 T1147 | I1071-R1143 PolarHBondContact O-NH1 2.91Å; D1072-R1143 VanDerWaalsContact CA-NH1 3.3Å; D1072-R1143 IonicContact OD1-CZ 3.65Å; D1072-R1143 IonicContact OD1-NH1 3.53Å; D1072-R1143 PolarHBondContact OD1-NH1 2.96Å; D1072-R1143 IonicContact OD1-NH2 3.99Å; D1072-R1143 PolarHBondContact OD1-NH2 3.43Å; D1072-R1143 IonicContact OD2-NH2 3.42Å; D1072-R1143 PolarHBondContact OD2-NH2 3.07Å; P1139-R1143 WeakPolarHBondContact O-CB 3.32Å; P1139-R1143 VanDerWaalsContact O-CG 3.3Å; P1139-R1143 WeakPolarHBondContact O-CG 3.37Å; P1139-R1143 PolarHBondContact O-N 3.12Å; V1140-R1143 PolarHBondContact O-N 2.82Å; S1141-R1143 VanDerWaalsContact C-N 3.34Å; S1141-R1143 PolarHBondContact O-N 3.34Å; R1143-C1146 PolarHBondContact O-N 2.68Å; R1143-T1147 VanDerWaalsContact O-CB 3.3Å; R1143-T1147 WeakPolarHBondContact O-CB 3.43Å; R1143-T1147 PolarHBondContact O-N 3.41Å; R1143-T1147 PolarHBondContact O-OG1 3.4Å |
| 1144 | F | 87.6 | Confident | 88.3 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 62% | 0.618 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.3 | -50.2 | 177.7 | -177.1 | -97.6 | 0 | 0 | 0 | 110.7 | V1140 S1141 C1146 T1147 D1148 | V1140-F1144 WeakPolarHBondContact O-CB 3.39Å; V1140-F1144 PolarHBondContact O-N 3.39Å; S1141-F1144 PolarHBondContact O-N 2.8Å; F1144-C1146 PolarHBondContact O-N 3.4Å; F1144-T1147 PolarHBondContact O-N 3.28Å; F1144-D1148 WeakPolarHBondContact O-CB 3.32Å; F1144-D1148 PolarHBondContact O-N 2.92Å |
| 1145 | L | 89.5 | Confident | 87.9 | Confident | 91 Ų | 91 | 70.9 Ų | 70.9 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 178.1 | -71.3 | 169.8 | 0 | 0 | 0 | 112.8 | S1141 L1142 D1148 L1149 | S1141-L1145 WeakPolarHBondContact O-CB 3.32Å; S1141-L1145 VanDerWaalsContact O-CG 3.31Å; S1141-L1145 WeakPolarHBondContact O-CG 3.35Å; S1141-L1145 PolarHBondContact O-N 3.05Å; L1142-L1145 PolarHBondContact O-N 3.36Å; L1145-D1148 PolarHBondContact O-N 3Å; L1145-L1149 VanDerWaalsContact O-CB 3.29Å; L1145-L1149 WeakPolarHBondContact O-CB 3.18Å; L1145-L1149 WeakPolarHBondContact O-CG 3.11Å; L1145-L1149 PolarHBondContact O-N 2.93Å |
| 1146 | C | 85.5 | Confident | 87.5 | Confident | 78 Ų | 78 | 78 Ų | 78 | 53% | 0.527 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 179 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | L1142 R1143 F1144 D1148 N1150 | L1142-C1146 VanDerWaalsContact O-CB 3.29Å; L1142-C1146 WeakPolarHBondContact O-CB 3.28Å; L1142-C1146 PolarHBondContact O-N 2.91Å; L1142-C1146 PolarHBondContact O-SG 3.47Å; R1143-C1146 PolarHBondContact O-N 2.68Å; F1144-C1146 PolarHBondContact O-N 3.4Å; C1146-D1148 VanDerWaalsContact C-N 3.32Å; C1146-D1148 PolarHBondContact O-N 2.8Å; C1146-N1150 CarbonylContact O-C 3.37Å; C1146-N1150 WeakPolarHBondContact O-CA 3.29Å; C1146-N1150 PolarHBondContact O-N 3.49Å |
| 1147 | T | 84.4 | Confident | 87.2 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.7 | -34.5 | 179.7 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | R1143 F1144 P1151 D1155 | R1143-T1147 VanDerWaalsContact O-CB 3.3Å; R1143-T1147 WeakPolarHBondContact O-CB 3.43Å; R1143-T1147 PolarHBondContact O-N 3.41Å; R1143-T1147 PolarHBondContact O-OG1 3.4Å; F1144-T1147 PolarHBondContact O-N 3.28Å; T1147-P1151 VanDerWaalsContact O-CB 3.29Å; T1147-P1151 WeakPolarHBondContact O-CB 3.29Å; T1147-D1155 HydrophobicContact CG2-CB 4.38Å |
| 1148 | D | 87.2 | Confident | 86.9 | Confident | 118 Ų | 118 | 77.7 Ų | 77.7 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -81.9 | -48 | -179.3 | -161.6 | 34.8 | 0 | 0 | 0 | 112.3 | F1144 L1145 C1146 | F1144-D1148 WeakPolarHBondContact O-CB 3.32Å; F1144-D1148 PolarHBondContact O-N 2.92Å; L1145-D1148 PolarHBondContact O-N 3Å; C1146-D1148 VanDerWaalsContact C-N 3.32Å; C1146-D1148 PolarHBondContact O-N 2.8Å |
| 1149 | L | 89 | Confident | 86.5 | Confident | 124 Ų | 124 | 79 Ų | 79 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -77 | -40.2 | -176.1 | -63.2 | 173.8 | 0 | 0 | 0 | 113 | L1145 | L1145-L1149 VanDerWaalsContact O-CB 3.29Å; L1145-L1149 WeakPolarHBondContact O-CB 3.18Å; L1145-L1149 WeakPolarHBondContact O-CG 3.11Å; L1145-L1149 PolarHBondContact O-N 2.93Å |
| 1150 | N | 86 | Confident | 86.3 | Confident | 139 Ų | 139 | 81.3 Ų | 81.3 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -135.8 | 62.9 | -174.7 | -73.8 | -39.5 | 0 | 0 | 0 | 111.5 | C1146 S1152 | C1146-N1150 CarbonylContact O-C 3.37Å; C1146-N1150 WeakPolarHBondContact O-CA 3.29Å; C1146-N1150 PolarHBondContact O-N 3.49Å; N1150-S1152 PolarHBondContact O-N 2.89Å |
| 1151 | P | 84.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 79.5 Ų | 79.5 | 25% | 0.247 | 41% | 0.41 | C | S | . | . | trans | -62.2 | 128.3 | -176.9 | 22.4 | -32.2 | 0 | 0 | 0 | 111.2 | T1147 D1155 R1156 | T1147-P1151 VanDerWaalsContact O-CB 3.29Å; T1147-P1151 WeakPolarHBondContact O-CB 3.29Å; P1151-D1155 HydrophobicContact CB-CB 4.2Å; P1151-R1156 HydrophobicContact CB-CG 4.04Å; P1151-R1156 HydrophobicContact CG-CG 4.3Å; P1151-R1156 PolarHBondContact O-NE 3.39Å | ||
| 1152 | S | 83.9 | Confident | 85.2 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | trans | -65.2 | 161.8 | 173.1 | 75.4 | 0 | 0 | 0 | 0 | 111 | N1150 A1154 D1155 R1156 | N1150-S1152 PolarHBondContact O-N 2.89Å; S1152-A1154 PolarHBondContact O-N 3.17Å; S1152-D1155 VanDerWaalsContact CB-OD2 3.26Å; S1152-D1155 WeakPolarHBondContact CB-OD2 3.46Å; S1152-D1155 PolarHBondContact N-OD2 3.29Å; S1152-D1155 WeakPolarHBondContact O-CB 3.24Å; S1152-D1155 PolarHBondContact O-N 2.94Å; S1152-D1155 PolarHBondContact OG-N 3.4Å; S1152-D1155 VanDerWaalsContact OG-N 3.15Å; S1152-D1155 PolarHBondContact OG-OD2 3.41Å; S1152-R1156 WeakPolarHBondContact O-CG 3.16Å; S1152-R1156 PolarHBondContact O-N 2.88Å | ||
| 1153 | L | 85.9 | Confident | 84.9 | Confident | 66 Ų | 66 | 80.5 Ų | 80.5 | 35% | 0.346 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.5 | -36.6 | 175.4 | -176.8 | 64.3 | 0 | 0 | 0 | 111.4 | Q997 L998 R1156 I1157 | Q997-L1153 HydrophobicContact CB-CD2 3.8Å; L998-L1153 HydrophobicContact CD2-CB 4.14Å; L998-L1153 HydrophobicContact CD2-CD2 3.96Å; L998-L1153 HydrophobicContact CD2-CG 3.91Å; L998-L1153 HydrophobicContact CG-CD2 4.19Å; L1153-R1156 PolarHBondContact O-N 3.42Å; L1153-I1157 HydrophobicContact CD1-CD1 4.36Å; L1153-I1157 HydrophobicContact CG-CD1 4.05Å; L1153-I1157 VanDerWaalsContact O-CG1 3.29Å; L1153-I1157 WeakPolarHBondContact O-CG1 3.43Å; L1153-I1157 PolarHBondContact O-N 2.92Å |
| 1154 | A | 85.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 81.7 Ų | 81.7 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V987 L998 S1152 I1157 R1158 | V987-A1154 HydrophobicContact CG2-CB 4.05Å; L998-A1154 HydrophobicContact CD2-CB 4.04Å; S1152-A1154 PolarHBondContact O-N 3.17Å; A1154-I1157 PolarHBondContact O-N 2.91Å; A1154-R1158 WeakPolarHBondContact O-CB 3.25Å; A1154-R1158 PolarHBondContact O-N 3.15Å |
| 1155 | D | 86.1 | Confident | 83.6 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.9 | -59.3 | -41.1 | 0 | 0 | 0 | 111.5 | T1147 P1151 S1152 I1157 R1158 V1159 | T1147-D1155 HydrophobicContact CG2-CB 4.38Å; P1151-D1155 HydrophobicContact CB-CB 4.2Å; S1152-D1155 VanDerWaalsContact CB-OD2 3.26Å; S1152-D1155 WeakPolarHBondContact CB-OD2 3.46Å; S1152-D1155 PolarHBondContact N-OD2 3.29Å; S1152-D1155 WeakPolarHBondContact O-CB 3.24Å; S1152-D1155 PolarHBondContact O-N 2.94Å; S1152-D1155 PolarHBondContact OG-N 3.4Å; S1152-D1155 VanDerWaalsContact OG-N 3.15Å; S1152-D1155 PolarHBondContact OG-OD2 3.41Å; D1155-I1157 VanDerWaalsContact C-N 3.29Å; D1155-I1157 PolarHBondContact O-N 3.35Å; D1155-R1158 PolarHBondContact O-N 3.13Å; D1155-R1158 VanDerWaalsContact O-N 3.13Å; D1155-V1159 WeakPolarHBondContact O-CG2 3.35Å; D1155-V1159 PolarHBondContact O-N 3.04Å |
| 1156 | R | 86.7 | Confident | 82.6 | Confident | 152 Ų | 152 | 82.9 Ų | 82.9 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.2 | -41.8 | 176.3 | -64.4 | 179.1 | -170 | -164.8 | -3 | 111.6 | P1151 S1152 L1153 K1160 | P1151-R1156 HydrophobicContact CB-CG 4.04Å; P1151-R1156 HydrophobicContact CG-CG 4.3Å; P1151-R1156 PolarHBondContact O-NE 3.39Å; S1152-R1156 WeakPolarHBondContact O-CG 3.16Å; S1152-R1156 PolarHBondContact O-N 2.88Å; L1153-R1156 PolarHBondContact O-N 3.42Å; R1156-K1160 WeakPolarHBondContact O-CB 3.39Å; R1156-K1160 PolarHBondContact O-N 3.3Å |
| 1157 | I | 85.9 | Confident | 81.7 | Confident | 8 Ų | 8 | 83.9 Ų | 83.9 | 4% | 0.041 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 177.1 | -70.4 | 167.4 | 0 | 0 | 0 | 110.6 | V987 N991 Y995 L998 L1153 A1154 D1155 K1160 Q1161 | V987-I1157 HydrophobicContact CG1-CG2 4.07Å; N991-I1157 HydrophobicContact CB-CG2 4.05Å; Y995-I1157 HydrophobicContact CD1-CD1 4.29Å; Y995-I1157 HydrophobicContact CD2-CD1 3.58Å; Y995-I1157 HydrophobicContact CD2-CG1 4.11Å; Y995-I1157 HydrophobicContact CE2-CD1 4.2Å; Y995-I1157 HydrophobicContact CE2-CG1 4.23Å; Y995-I1157 HydrophobicContact CE2-CG2 4.49Å; Y995-I1157 HydrophobicContact CG-CD1 3.63Å; Y995-I1157 HydrophobicContact CG-CG1 4.42Å; L998-I1157 HydrophobicContact CD1-CD1 3.73Å; L998-I1157 HydrophobicContact CD2-CD1 4.04Å; L998-I1157 HydrophobicContact CG-CD1 3.98Å; L1153-I1157 HydrophobicContact CD1-CD1 4.36Å; L1153-I1157 HydrophobicContact CG-CD1 4.05Å; L1153-I1157 VanDerWaalsContact O-CG1 3.29Å; L1153-I1157 WeakPolarHBondContact O-CG1 3.43Å; L1153-I1157 PolarHBondContact O-N 2.92Å; A1154-I1157 PolarHBondContact O-N 2.91Å; D1155-I1157 VanDerWaalsContact C-N 3.29Å; D1155-I1157 PolarHBondContact O-N 3.35Å; I1157-K1160 CarbonylContact O-C 3.57Å; I1157-K1160 WeakPolarHBondContact O-CB 3.36Å; I1157-K1160 PolarHBondContact O-N 3.16Å; I1157-Q1161 HydrophobicContact CG2-CG 4.42Å; I1157-Q1161 VanDerWaalsContact O-CG 3.31Å; I1157-Q1161 WeakPolarHBondContact O-CG 3.28Å; I1157-Q1161 PolarHBondContact O-N 3.47Å |
| 1158 | R | 83.9 | Confident | 80.5 | Confident | 99 Ų | 99 | 85.9 Ų | 85.9 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177.7 | -170.9 | 177.7 | -177.7 | 172.1 | 5.7 | 111.9 | A1074 A1154 D1155 K1160 Q1161 N1162 | A1074-R1158 PolarHBondContact O-NH2 3.17Å; A1154-R1158 WeakPolarHBondContact O-CB 3.25Å; A1154-R1158 PolarHBondContact O-N 3.15Å; D1155-R1158 PolarHBondContact O-N 3.13Å; D1155-R1158 VanDerWaalsContact O-N 3.13Å; R1158-K1160 VanDerWaalsContact C-N 3.33Å; R1158-K1160 PolarHBondContact O-N 2.99Å; R1158-Q1161 WeakPolarHBondContact O-CB 3.15Å; R1158-Q1161 PolarHBondContact O-N 2.99Å; R1158-N1162 PolarHBondContact O-N 2.77Å |
| 1159 | V | 83.2 | Confident | 79.2 | Confident | 83 Ų | 83 | 90.9 Ų | 90.9 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | D1155 Q1161 N1162 L1163 | D1155-V1159 WeakPolarHBondContact O-CG2 3.35Å; D1155-V1159 PolarHBondContact O-N 3.04Å; V1159-Q1161 VanDerWaalsContact C-N 3.32Å; V1159-Q1161 PolarHBondContact O-N 3.16Å; V1159-N1162 PolarHBondContact O-N 3.38Å; V1159-L1163 HydrophobicContact CG1-CD1 3.99Å; V1159-L1163 HydrophobicContact CG1-CG 4.37Å; V1159-L1163 WeakPolarHBondContact O-CB 3.5Å; V1159-L1163 WeakPolarHBondContact O-CG 3.42Å; V1159-L1163 PolarHBondContact O-N 3.2Å |
| 1160 | K | 83 | Confident | 77.5 | Confident | 79 Ų | 79 | 91.9 Ų | 91.9 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 176.1 | -170.9 | 178 | -177.7 | -179.7 | 0 | 112.8 | Y995 R1156 I1157 R1158 K1164 | Y995-K1160 PolarHBondContact OH-NZ 3.29Å; R1156-K1160 WeakPolarHBondContact O-CB 3.39Å; R1156-K1160 PolarHBondContact O-N 3.3Å; I1157-K1160 CarbonylContact O-C 3.57Å; I1157-K1160 WeakPolarHBondContact O-CB 3.36Å; I1157-K1160 PolarHBondContact O-N 3.16Å; R1158-K1160 VanDerWaalsContact C-N 3.33Å; R1158-K1160 PolarHBondContact O-N 2.99Å; K1160-K1164 WeakPolarHBondContact O-CB 3.49Å; K1160-K1164 WeakPolarHBondContact O-CG 3.08Å; K1160-K1164 PolarHBondContact O-N 3.4Å |
| 1161 | Q | 79.7 | Confident | 75.5 | Confident | 28 Ų | 28 | 87.8 Ų | 87.8 | 13% | 0.131 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 174.3 | -74 | 172.7 | 18.2 | 0 | 0 | 111.6 | N988 N991 I1157 R1158 V1159 K1164 R1165 | N988-Q1161 PolarHBondContact OD1-NE2 3.2Å; N991-Q1161 WeakPolarHBondContact ND2-CG 3.24Å; N991-Q1161 PolarHBondContact ND2-NE2 2.93Å; I1157-Q1161 HydrophobicContact CG2-CG 4.42Å; I1157-Q1161 VanDerWaalsContact O-CG 3.31Å; I1157-Q1161 WeakPolarHBondContact O-CG 3.28Å; I1157-Q1161 PolarHBondContact O-N 3.47Å; R1158-Q1161 WeakPolarHBondContact O-CB 3.15Å; R1158-Q1161 PolarHBondContact O-N 2.99Å; V1159-Q1161 VanDerWaalsContact C-N 3.32Å; V1159-Q1161 PolarHBondContact O-N 3.16Å; Q1161-K1164 PolarHBondContact O-N 3.44Å; Q1161-R1165 WeakPolarHBondContact O-CG 3.23Å; Q1161-R1165 PolarHBondContact O-N 3.3Å |
| 1162 | N | 78.4 | Confident | 73.3 | Confident | 74 Ų | 74 | 95.6 Ų | 95.6 | 40% | 0.396 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 178.3 | -72.8 | -16 | 0 | 0 | 0 | 111.1 | R1158 V1159 K1164 R1165 L1166 | R1158-N1162 PolarHBondContact O-N 2.77Å; V1159-N1162 PolarHBondContact O-N 3.38Å; N1162-K1164 PolarHBondContact O-N 3.18Å; N1162-R1165 PolarHBondContact O-N 2.65Å; N1162-L1166 WeakPolarHBondContact O-CG 3.37Å; N1162-L1166 PolarHBondContact O-N 3.46Å |
| 1163 | L | 79.9 | Confident | 71.1 | Confident | 94 Ų | 94 | 99 Ų | 99 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 173.7 | -70.4 | 173.1 | 0 | 0 | 0 | 111.8 | V1159 R1165 L1166 Q1167 | V1159-L1163 HydrophobicContact CG1-CD1 3.99Å; V1159-L1163 HydrophobicContact CG1-CG 4.37Å; V1159-L1163 WeakPolarHBondContact O-CB 3.5Å; V1159-L1163 WeakPolarHBondContact O-CG 3.42Å; V1159-L1163 PolarHBondContact O-N 3.2Å; L1163-R1165 PolarHBondContact O-N 3.36Å; L1163-L1166 PolarHBondContact O-N 2.89Å; L1163-Q1167 WeakPolarHBondContact O-CB 3.46Å; L1163-Q1167 VanDerWaalsContact O-CG 3.31Å; L1163-Q1167 WeakPolarHBondContact O-CG 3.42Å; L1163-Q1167 PolarHBondContact O-N 3.25Å |
| 1164 | K | 74.8 | Confident | 68.8 | Low | 117 Ų | 117 | 102 Ų | 102 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 174 | -79.8 | -173.5 | 175.7 | -165.2 | 0 | 112.4 | K1160 Q1161 N1162 L1166 Q1167 T1168 | K1160-K1164 WeakPolarHBondContact O-CB 3.49Å; K1160-K1164 WeakPolarHBondContact O-CG 3.08Å; K1160-K1164 PolarHBondContact O-N 3.4Å; Q1161-K1164 PolarHBondContact O-N 3.44Å; N1162-K1164 PolarHBondContact O-N 3.18Å; K1164-L1166 VanDerWaalsContact C-N 3.34Å; K1164-Q1167 PolarHBondContact O-N 3.12Å; K1164-T1168 WeakPolarHBondContact O-CG2 3.5Å; K1164-T1168 PolarHBondContact O-N 3.06Å; K1164-T1168 PolarHBondContact O-OG1 3.34Å; K1164-T1168 VanDerWaalsContact O-OG1 3.07Å |
| 1165 | R | 71.1 | Confident | 66.3 | Low | 156 Ų | 156 | 107.5 Ų | 107.5 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 177 | -77.4 | 179.7 | 179.1 | 175.5 | 0.3 | 111.9 | Q1161 N1162 L1163 T1168 R1169 | Q1161-R1165 WeakPolarHBondContact O-CG 3.23Å; Q1161-R1165 PolarHBondContact O-N 3.3Å; N1162-R1165 PolarHBondContact O-N 2.65Å; L1163-R1165 PolarHBondContact O-N 3.36Å; R1165-T1168 VanDerWaalsContact CA-OG1 3.3Å; R1165-T1168 WeakPolarHBondContact CA-OG1 3.45Å; R1165-T1168 PolarHBondContact O-N 2.81Å; R1165-T1168 PolarHBondContact O-OG1 2.97Å; R1165-R1169 PolarHBondContact O-N 2.98Å |
| 1166 | L | 69.4 | Low | 63.9 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 174 | -71 | 166.6 | 0 | 0 | 0 | 111 | N1162 L1163 K1164 R1169 I1170 | N1162-L1166 WeakPolarHBondContact O-CG 3.37Å; N1162-L1166 PolarHBondContact O-N 3.46Å; L1163-L1166 PolarHBondContact O-N 2.89Å; K1164-L1166 VanDerWaalsContact C-N 3.34Å; L1166-R1169 PolarHBondContact O-N 3.46Å; L1166-R1169 VanDerWaalsContact O-N 3.16Å; L1166-I1170 WeakPolarHBondContact O-CG1 3.49Å; L1166-I1170 PolarHBondContact O-N 2.99Å |
| 1167 | Q | 65.8 | Low | 61.4 | Low | 99 Ų | 99 | 106.7 Ų | 106.7 | 46% | 0.463 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.1 | -75.6 | 174.7 | -19.8 | 0 | 0 | 112.3 | L1163 K1164 R1169 I1170 S1171 | L1163-Q1167 WeakPolarHBondContact O-CB 3.46Å; L1163-Q1167 VanDerWaalsContact O-CG 3.31Å; L1163-Q1167 WeakPolarHBondContact O-CG 3.42Å; L1163-Q1167 PolarHBondContact O-N 3.25Å; K1164-Q1167 PolarHBondContact O-N 3.12Å; Q1167-R1169 PolarHBondContact O-N 3Å; Q1167-I1170 PolarHBondContact O-N 3.31Å; Q1167-S1171 PolarHBondContact O-N 3.5Å |
| 1168 | T | 60.3 | Low | 58.9 | Low | 108 Ų | 108 | 117 Ų | 117 | 66% | 0.663 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.8 | -17.8 | 176.1 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | K1164 R1165 | K1164-T1168 WeakPolarHBondContact O-CG2 3.5Å; K1164-T1168 PolarHBondContact O-N 3.06Å; K1164-T1168 PolarHBondContact O-OG1 3.34Å; K1164-T1168 VanDerWaalsContact O-OG1 3.07Å; R1165-T1168 VanDerWaalsContact CA-OG1 3.3Å; R1165-T1168 WeakPolarHBondContact CA-OG1 3.45Å; R1165-T1168 PolarHBondContact O-N 2.81Å; R1165-T1168 PolarHBondContact O-OG1 2.97Å |
| 1169 | R | 58.5 | Low | 56.2 | Low | 224 Ų | 224 | 119.8 Ų | 119.8 | 85% | 0.845 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -85.6 | -17.4 | 170.3 | -76.8 | -170.7 | -175.8 | -176.4 | 1.2 | 113.3 | R1165 L1166 Q1167 | R1165-R1169 PolarHBondContact O-N 2.98Å; L1166-R1169 PolarHBondContact O-N 3.46Å; L1166-R1169 VanDerWaalsContact O-N 3.16Å; Q1167-R1169 PolarHBondContact O-N 3Å |
| 1170 | I | 55 | Low | 53.7 | Low | 145 Ų | 145 | 121.8 Ų | 121.8 | 74% | 0.744 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -109.4 | -17.5 | -173.4 | -66.4 | 172.8 | 0 | 0 | 0 | 112.1 | L1166 Q1167 | L1166-I1170 WeakPolarHBondContact O-CG1 3.49Å; L1166-I1170 PolarHBondContact O-N 2.99Å; Q1167-I1170 PolarHBondContact O-N 3.31Å |
| 1171 | S | 42.4 | Very low | 51 | Low | 52 Ų | 52 | 121.7 Ų | 121.7 | 36% | 0.364 | 64% | 0.639 | S | S | . | * | trans | -150.2 | 115.2 | -175.4 | -156.6 | 0 | 0 | 0 | 0 | 113 | Q1167 L1173 | Q1167-S1171 PolarHBondContact O-N 3.5Å; S1171-L1173 PolarHBondContact O-N 2.96Å | ||
| 1172 | E | 40 | Very low | 48.7 | Very low | 202 Ų | 202 | 124.9 Ų | 124.9 | 94% | 0.944 | 67% | 0.67 | S | S | * | * | trans | -69.5 | 51.5 | 158.4 | -66.9 | -171.2 | 153.2 | 0 | 0 | 111.2 | ||||
| 1173 | L | 36.5 | Very low | 46.3 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 67% | 0.665 | 68% | 0.682 | S | S | * | * | trans | -122.2 | 125 | 172.3 | -80.4 | 164.2 | 0 | 0 | 0 | 109.9 | S1171 L1175 | S1171-L1173 PolarHBondContact O-N 2.96Å; L1173-L1175 PolarHBondContact O-N 2.9Å | ||
| 1174 | P | 38 | Very low | 43.9 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | trans | -71.6 | 98.9 | -179.4 | 28 | -30.5 | 0 | 0 | 0 | 109.7 | G1176 | P1174-G1176 PolarHBondContact O-N 3.34Š| ||
| 1175 | L | 34.8 | Very low | 41.6 | Very low | 134 Ų | 134 | 133 Ų | 133 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | trans | -73.1 | 106.1 | 169.4 | -87.6 | 150 | 0 | 0 | 0 | 109.6 | L1173 | L1173-L1175 PolarHBondContact O-N 2.9Š| ||
| 1176 | G | 35.7 | Very low | 39.7 | Very low | 61 Ų | 61 | 131.1 Ų | 131.1 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 157 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1174 R1178 | P1174-G1176 PolarHBondContact O-N 3.34Å; G1176-R1178 PolarHBondContact O-N 2.75Å |
| 1177 | P | 34.1 | Very low | 38.1 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 124.2 | 175.7 | 27.2 | -30 | 0 | 0 | 0 | 110.9 | Q1179 | P1177-Q1179 PolarHBondContact O-N 3.41Š|
| 1178 | R | 31.9 | Very low | 36.4 | Very low | 225 Ų | 225 | 142.5 Ų | 142.5 | 85% | 0.849 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 126 | 176.2 | -163.9 | 170.7 | 172.7 | 171.4 | -5 | 110.7 | G1176 | G1176-R1178 PolarHBondContact O-N 2.75Š|
| 1179 | Q | 27.4 | Very low | 35.3 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 129.5 | 178.3 | -68.4 | 169.9 | -21.8 | 0 | 0 | 111.3 | D449 P1177 | D449-Q1179 PolarHBondContact OD1-NE2 3.49Å; P1177-Q1179 PolarHBondContact O-N 3.41Å |
| 1180 | V | 30.6 | Very low | 34.6 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | -108.5 | 118.7 | 159.2 | 178.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1181 | G | 27.8 | Very low | 34.4 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -66.3 | 130 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1182 | A | 29.5 | Very low | 35.1 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -123 | 119 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | T1184 | A1182-T1184 PolarHBondContact O-N 3.45Š| ||
| 1183 | S | 29.7 | Very low | 36 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | trans | -63.7 | 121.3 | 178.1 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | R1185 | S1183-R1185 PolarHBondContact O-N 2.84Å; S1183-R1185 VanDerWaalsContact O-N 3.11Å | ||
| 1184 | T | 29.1 | Very low | 37.3 | Very low | 137 Ų | 137 | 120.2 Ų | 120.2 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | trans | -72.5 | 93.5 | 160 | 45.9 | 0 | 0 | 0 | 0 | 108.3 | A1182 | A1182-T1184 PolarHBondContact O-N 3.45Š| ||
| 1185 | R | 26.4 | Very low | 38.9 | Very low | 224 Ų | 224 | 114.6 Ų | 114.6 | 85% | 0.845 | 63% | 0.632 | S | S | * | * | trans | -93.3 | 136.5 | 165.5 | -115.2 | 178.4 | 175.1 | 175.3 | -1.4 | 109.1 | S1183 R1187 | S1183-R1185 PolarHBondContact O-N 2.84Å; S1183-R1185 VanDerWaalsContact O-N 3.11Å; R1185-R1187 PolarHBondContact O-N 3.29Å | ||
| 1186 | S | 31.3 | Very low | 40.2 | Very low | 118 Ų | 118 | 108.4 Ų | 108.4 | 83% | 0.825 | 60% | 0.6 | S | S | * | * | trans | -40.3 | 121.9 | 175.9 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | R1188 | S1186-R1188 PolarHBondContact O-N 2.86Š| ||
| 1187 | R | 35 | Very low | 41.8 | Very low | 200 Ų | 200 | 106.6 Ų | 106.6 | 76% | 0.755 | 58% | 0.575 | S | S | * | * | trans | -60.2 | 119.9 | 173.3 | -80.8 | 175.1 | 161.9 | -172.2 | -11.9 | 109 | R1185 | R1185-R1187 PolarHBondContact O-N 3.29Š| ||
| 1188 | R | 31.6 | Very low | 43 | Very low | 239 Ų | 239 | 102 Ų | 102 | 90% | 0.902 | 55% | 0.546 | S | S | * | . | trans | -77.9 | 124.3 | 160.5 | -86.3 | -176.4 | 174.5 | 175.4 | -1.8 | 107.8 | S1186 S1190 | S1186-R1188 PolarHBondContact O-N 2.86Å; R1188-S1190 PolarHBondContact O-N 3.47Å | ||
| 1189 | P | 36.7 | Very low | 44.5 | Very low | 111 Ų | 111 | 91.4 Ų | 91.4 | 72% | 0.721 | 51% | 0.506 | S | S | * | . | trans | -72.3 | 113.4 | 166.5 | 25.3 | -20.7 | 0 | 0 | 0 | 107.2 | ||||
| 1190 | S | 44.1 | Very low | 46.1 | Very low | 81 Ų | 81 | 87.6 Ų | 87.6 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | trans | -77.9 | 120.5 | 157.8 | 59.9 | 0 | 0 | 0 | 0 | 106.6 | R1188 R1192 | R1188-S1190 PolarHBondContact O-N 3.47Å; S1190-R1192 VanDerWaalsContact C-N 3.33Å; S1190-R1192 PolarHBondContact O-N 3.23Å | ||
| 1191 | T | 49.7 | Very low | 47.6 | Very low | 125 Ų | 125 | 85.7 Ų | 85.7 | 77% | 0.767 | 48% | 0.478 | S | S | * | . | trans | -64.6 | 92.7 | 172.5 | 46.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1192 | R | 58.2 | Low | 49.1 | Very low | 58 Ų | 58 | 83.6 Ų | 83.6 | 22% | 0.219 | 46% | 0.456 | C | S | . | . | trans | -138.8 | 125.4 | -174.9 | -172.1 | -177.2 | 174.8 | 145.9 | 7.8 | 111 | A621 S1190 | A621-R1192 WeakPolarHBondContact CB-O 3.37Å; S1190-R1192 VanDerWaalsContact C-N 3.33Å; S1190-R1192 PolarHBondContact O-N 3.23Å | ||
| 1193 | S | 57.6 | Low | 50.8 | Low | 16 Ų | 16 | 82 Ų | 82 | 11% | 0.112 | 43% | 0.432 | C | S | . | . | trans | -67.2 | 139.1 | 168.1 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | D594 Y1195 | D594-S1193 WeakPolarHBondContact OD1-CB 3.28Å; D594-S1193 PolarHBondContact OD1-OG 3.07Å; D594-S1193 WeakPolarHBondContact OD2-CA 3.38Å; D594-S1193 WeakPolarHBondContact OD2-CB 3.32Å; D594-S1193 PolarHBondContact OD2-OG 3.06Å; S1193-Y1195 PolarHBondContact OG-N 3.3Å | ||
| 1194 | S | 63.8 | Low | 52.2 | Low | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 40% | 0.401 | C | S | . | . | trans | -120 | 35.7 | 177.6 | -175.7 | 0 | 0 | 0 | 0 | 111 | L625 R626 T627 N728 A1196 | L625-S1194 WeakPolarHBondContact O-CB 3.45Å; L625-S1194 PolarHBondContact O-OG 3.11Å; R626-S1194 WeakPolarHBondContact CA-O 3.37Å; T627-S1194 PolarHBondContact N-O 2.9Å; T627-S1194 PolarHBondContact OG1-O 2.73Å; N728-S1194 PolarHBondContact ND2-OG 3.45Å; N728-S1194 PolarHBondContact OD1-OG 3.05Å; S1194-A1196 PolarHBondContact O-N 2.93Å | ||
| 1195 | Y | 71.2 | Confident | 54 | Low | 11 Ų | 11 | 75.8 Ų | 75.8 | 4% | 0.043 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -66.6 | 131.2 | 177.3 | 167.1 | -103.1 | 0 | 0 | 0 | 111.4 | F569 K574 A593 T627 L628 S1193 F1197 | F569-Y1195 WeakPolarHBondContact CE2-OH 3.4Å; F569-Y1195 WeakPolarHBondContact CZ-OH 3.07Å; K574-Y1195 HydrophobicContact CB-CE1 4.07Å; K574-Y1195 HydrophobicContact CD-CD1 4.45Å; K574-Y1195 HydrophobicContact CD-CE1 4Å; K574-Y1195 HydrophobicContact CG-CE1 4.21Å; K574-Y1195 PolarHBondContact O-OH 3.09Å; A593-Y1195 VanDerWaalsContact CA-CE2 3.47Å; A593-Y1195 HydrophobicContact CB-CD1 3.54Å; A593-Y1195 HydrophobicContact CB-CD2 3.37Å; A593-Y1195 HydrophobicContact CB-CE1 3.82Å; A593-Y1195 HydrophobicContact CB-CE2 3.6Å; A593-Y1195 HydrophobicContact CB-CG 3.28Å; A593-Y1195 VanDerWaalsContact N-CE2 3.32Å; T627-Y1195 WeakPolarHBondContact O-CD2 3.45Å; L628-Y1195 HydrophobicContact CD2-CD2 3.77Å; L628-Y1195 HydrophobicContact CD2-CE2 3.42Å; L628-Y1195 VanDerWaalsContact CD2-CE2 3.42Å; S1193-Y1195 PolarHBondContact OG-N 3.3Å; Y1195-F1197 HydrophobicContact CE2-CB 4Å |
| 1196 | A | 63.6 | Low | 55.8 | Low | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | trans | -153.2 | 134.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | R626 T725 S1194 | R626-A1196 HydrophobicContact CB-CB 4.19Å; R626-A1196 HydrophobicContact CG-CB 3.87Å; T725-A1196 HydrophobicContact CG2-CB 4.35Å; S1194-A1196 PolarHBondContact O-N 2.93Å | ||
| 1197 | F | 68.9 | Low | 57.6 | Low | 23 Ų | 23 | 62.4 Ų | 62.4 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | trans | -147.4 | 128.7 | 179.3 | -166.3 | -118.9 | 0 | 0 | 0 | 110.9 | D527 E528 F569 L628 Y1195 H1199 | D527-F1197 HydrophobicContact CB-CD2 3.84Å; D527-F1197 HydrophobicContact CB-CE2 3.93Å; D527-F1197 WeakPolarHBondContact OD2-CA 3.38Å; E528-F1197 HydrophobicContact CG-CE2 3.92Å; E528-F1197 HydrophobicContact CG-CZ 3.6Å; F569-F1197 HydrophobicContact CB-CE1 4.26Å; F569-F1197 HydrophobicContact CD1-CD1 4.12Å; F569-F1197 HydrophobicContact CD1-CE1 4.4Å; F569-F1197 AromaticContact CD2-CD1 3.54Å; F569-F1197 HydrophobicContact CD2-CD1 3.54Å; F569-F1197 AromaticContact CD2-CE1 3.78Å; F569-F1197 HydrophobicContact CD2-CE1 3.78Å; F569-F1197 HydrophobicContact CE1-CD1 4.08Å; F569-F1197 HydrophobicContact CE2-CB 4.42Å; F569-F1197 AromaticContact CE2-CD1 3.5Å; F569-F1197 HydrophobicContact CE2-CD1 3.5Å; F569-F1197 VanDerWaalsContact CE2-CD1 3.5Å; F569-F1197 HydrophobicContact CE2-CE1 4.23Å; F569-F1197 HydrophobicContact CE2-CG 4.39Å; F569-F1197 AromaticContact CG-CD1 3.86Å; F569-F1197 HydrophobicContact CG-CD1 3.86Å; F569-F1197 AromaticContact CG-CE1 3.88Å; F569-F1197 HydrophobicContact CG-CE1 3.88Å; F569-F1197 HydrophobicContact CZ-CB 4.35Å; F569-F1197 AromaticContact CZ-CD1 3.77Å; F569-F1197 HydrophobicContact CZ-CD1 3.77Å; L628-F1197 HydrophobicContact CD1-CD2 3.85Å; L628-F1197 HydrophobicContact CD1-CE2 4.07Å; L628-F1197 HydrophobicContact CD2-CB 4.33Å; L628-F1197 HydrophobicContact CD2-CD2 4.19Å; L628-F1197 HydrophobicContact CD2-CG 4.42Å; Y1195-F1197 HydrophobicContact CE2-CB 4Å; F1197-H1199 HydrophobicContact CD1-CB 3.64Å; F1197-H1199 HydrophobicContact CE1-CB 3.27Å; F1197-H1199 AromaticContact CE1-CG 3.92Å; F1197-H1199 HydrophobicContact CZ-CB 4.02Å | ||
| 1198 | S | 58.3 | Low | 58.9 | Low | 24 Ų | 24 | 56 Ų | 56 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | trans | -102.3 | 31.8 | -167.3 | 75.6 | 0 | 0 | 0 | 0 | 116.1 | S525 P526 D527 | S525-S1198 VanDerWaalsContact CB-OG 3.3Å; S525-S1198 WeakPolarHBondContact CB-OG 3.4Å; P526-S1198 WeakPolarHBondContact CD-OG 3.25Å; D527-S1198 PolarHBondContact OD2-N 2.79Å; D527-S1198 PolarHBondContact OD2-OG 3.07Å | ||
| 1199 | H | 63.9 | Low | 60.4 | Low | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | trans | -91.2 | 159.3 | -174.2 | -167.1 | -71.8 | 0 | 0 | 0 | 113.3 | T509 Q524 E528 D568 F569 F1197 | T509-H1199 PolarHBondContact OG1-NE2 3.25Å; Q524-H1199 PolarHBondContact OE1-CE1 3.23Å; Q524-H1199 PolarHBondContact OE1-NE2 3.43Å; Q524-H1199 VanDerWaalsContact OE1-NE2 3.1Å; E528-H1199 IonicContact OE1-CD2 3.65Å; E528-H1199 PolarHBondContact OE1-CD2 2.76Å; E528-H1199 IonicContact OE1-NE2 3.45Å; E528-H1199 IonicContact OE2-CD2 2.65Å; E528-H1199 IonicContact OE2-NE2 3.09Å; D568-H1199 IonicContact OD1-CE1 3.21Å; D568-H1199 PolarHBondContact OD1-CE1 3.15Å; D568-H1199 VanDerWaalsContact OD1-CE1 3.29Å; F569-H1199 HydrophobicContact CB-CB 4.23Å; F569-H1199 HydrophobicContact CD1-CB 3.7Å; F569-H1199 HydrophobicContact CE1-CB 4.32Å; F569-H1199 HydrophobicContact CG-CB 4.05Å; F1197-H1199 HydrophobicContact CD1-CB 3.64Å; F1197-H1199 HydrophobicContact CE1-CB 3.27Å; F1197-H1199 AromaticContact CE1-CG 3.92Å; F1197-H1199 HydrophobicContact CZ-CB 4.02Å | ||
| 1200 | H | 61 | Low | 61.3 | Low | 76 Ų | 76 | 46.5 Ų | 46.5 | 35% | 0.352 | 26% | 0.263 | S | S | . | . | trans | -123.6 | 145 | 177.8 | -57.5 | -3.4 | 0 | 0 | 0 | 112.1 | Q524 K709 | Q524-H1200 VanDerWaalsContact NE2-CB 3.29Å; Q524-H1200 PolarHBondContact NE2-O 3.26Å; K709-H1200 WeakPolarHBondContact CD-CE1 3.46Å | ||
| 1201 | P | 61.4 | Low | 61.7 | Low | 85 Ų | 85 | 44.8 Ų | 44.8 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 151.7 | -179 | 29.2 | -36.4 | 0 | 0 | 0 | 112.8 | ||
| 1202 | G | 60.5 | Low | 61.9 | Low | 32 Ų | 32 | 41.2 Ų | 41.2 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 107.2 | -13.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D568 E1205 L1206 | D568-G1202 WeakPolarHBondContact OD2-CA 3.39Å; D568-G1202 PolarHBondContact OD2-N 2.96Å; G1202-E1205 PolarHBondContact O-N 3.31Å; G1202-L1206 PolarHBondContact O-N 3.24Å |
| 1203 | F | 64.4 | Low | 61.7 | Low | 61 Ų | 61 | 40.6 Ų | 40.6 | 27% | 0.268 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.5 | -30.9 | -179.5 | -129.5 | -89.7 | 0 | 0 | 0 | 112.4 | Q524 D568 E1205 L1206 I1207 | Q524-F1203 VanDerWaalsContact OE1-CB 3.32Å; D568-F1203 PolarHBondContact OD2-N 3.42Å; F1203-E1205 PolarHBondContact O-N 3.2Å; F1203-L1206 HydrophobicContact CD2-CD1 4.07Å; F1203-L1206 HydrophobicContact CE2-CD1 4.2Å; F1203-L1206 HydrophobicContact CG-CD1 4.34Å; F1203-L1206 PolarHBondContact O-N 3.33Å; F1203-I1207 HydrophobicContact CD1-CD1 4.44Å; F1203-I1207 WeakPolarHBondContact O-CG1 3.34Å; F1203-I1207 PolarHBondContact O-N 2.91Å; F1203-I1207 VanDerWaalsContact O-N 3.12Å |
| 1204 | G | 60.7 | Low | 61.5 | Low | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.5 | -39.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | D568 I1207 T1208 | D568-G1204 PolarHBondContact OD2-N 3.29Å; G1204-I1207 PolarHBondContact O-N 3.13Å; G1204-T1208 WeakPolarHBondContact O-CG2 3.42Å; G1204-T1208 PolarHBondContact O-N 3.02Å; G1204-T1208 PolarHBondContact O-OG1 2.75Å |
| 1205 | E | 65.9 | Low | 60.7 | Low | 99 Ų | 99 | 56.3 Ų | 56.3 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 178.2 | -163.7 | -177.2 | 167.6 | 0 | 0 | 112.4 | G1202 F1203 I1207 T1208 K1209 | G1202-E1205 PolarHBondContact O-N 3.31Å; F1203-E1205 PolarHBondContact O-N 3.2Å; E1205-I1207 VanDerWaalsContact C-N 3.31Å; E1205-I1207 PolarHBondContact O-N 3.23Å; E1205-T1208 WeakPolarHBondContact CA-OG1 3.47Å; E1205-T1208 PolarHBondContact O-N 3.26Å; E1205-T1208 PolarHBondContact O-OG1 3.06Å; E1205-K1209 HydrophobicContact CG-CD 4.06Å; E1205-K1209 HydrophobicContact CG-CG 4.5Å; E1205-K1209 VanDerWaalsContact O-CB 3.31Å; E1205-K1209 WeakPolarHBondContact O-CB 3.45Å; E1205-K1209 VanDerWaalsContact O-CG 3.26Å; E1205-K1209 WeakPolarHBondContact O-CG 3.27Å; E1205-K1209 PolarHBondContact O-N 3.33Å; E1205-K1209 WeakPolarHBondContact OE1-CE 3.24Å; E1205-K1209 IonicContact OE1-NZ 3.93Å; E1205-K1209 PolarHBondContact OE1-NZ 3.11Å |
| 1206 | L | 64.9 | Low | 59.6 | Low | 57 Ų | 57 | 58.6 Ų | 58.6 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 174.6 | -69.1 | 172.1 | 0 | 0 | 0 | 112 | G1202 F1203 G1210 I1211 | G1202-L1206 PolarHBondContact O-N 3.24Å; F1203-L1206 HydrophobicContact CD2-CD1 4.07Å; F1203-L1206 HydrophobicContact CE2-CD1 4.2Å; F1203-L1206 HydrophobicContact CG-CD1 4.34Å; F1203-L1206 PolarHBondContact O-N 3.33Å; L1206-G1210 PolarHBondContact O-N 2.72Å; L1206-I1211 HydrophobicContact CD2-CD1 4.39Å; L1206-I1211 HydrophobicContact CD2-CG2 4.46Å; L1206-I1211 PolarHBondContact O-N 3.35Å |
| 1207 | I | 67.8 | Low | 58.5 | Low | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.5 | -48.7 | 177.8 | -67 | 172.2 | 0 | 0 | 0 | 110.3 | T509 M511 R545 I566 F1203 G1204 E1205 K1209 G1210 M1213 | T509-I1207 HydrophobicContact CG2-CD1 4.08Å; M511-I1207 HydrophobicContact SD-CD1 4.45Å; M511-I1207 HydrophobicContact SD-CG1 4.47Å; R545-I1207 VanDerWaalsContact CD-CG2 3.46Å; R545-I1207 HydrophobicContact CG-CG2 4.32Å; I566-I1207 HydrophobicContact CD1-CG2 4.17Å; F1203-I1207 HydrophobicContact CD1-CD1 4.44Å; F1203-I1207 WeakPolarHBondContact O-CG1 3.34Å; F1203-I1207 PolarHBondContact O-N 2.91Å; F1203-I1207 VanDerWaalsContact O-N 3.12Å; G1204-I1207 PolarHBondContact O-N 3.13Å; E1205-I1207 VanDerWaalsContact C-N 3.31Å; E1205-I1207 PolarHBondContact O-N 3.23Å; I1207-K1209 VanDerWaalsContact C-N 3.33Å; I1207-K1209 PolarHBondContact O-N 3.37Å; I1207-G1210 PolarHBondContact O-N 3.23Å; I1207-G1210 VanDerWaalsContact O-N 3.1Å; I1207-M1213 HydrophobicContact CB-CE 4.49Å; I1207-M1213 HydrophobicContact CG2-CE 3.73Å; I1207-M1213 WeakPolarHBondContact O-CE 3.37Å |
| 1208 | T | 63.7 | Low | 57.3 | Low | 64 Ų | 64 | 71.6 Ų | 71.6 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.3 | -30.6 | -178.6 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | G1204 E1205 G1210 | G1204-T1208 WeakPolarHBondContact O-CG2 3.42Å; G1204-T1208 PolarHBondContact O-N 3.02Å; G1204-T1208 PolarHBondContact O-OG1 2.75Å; E1205-T1208 WeakPolarHBondContact CA-OG1 3.47Å; E1205-T1208 PolarHBondContact O-N 3.26Å; E1205-T1208 PolarHBondContact O-OG1 3.06Å; T1208-G1210 VanDerWaalsContact C-N 3.28Å; T1208-G1210 PolarHBondContact O-N 3.49Å |
| 1209 | K | 61.2 | Low | 56.9 | Low | 126 Ų | 126 | 77.3 Ų | 77.3 | 55% | 0.548 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -11.4 | 172.3 | -70.3 | 177.5 | 172.3 | 176 | 0 | 114.1 | E1205 I1207 I1211 | E1205-K1209 HydrophobicContact CG-CD 4.06Å; E1205-K1209 HydrophobicContact CG-CG 4.5Å; E1205-K1209 VanDerWaalsContact O-CB 3.31Å; E1205-K1209 WeakPolarHBondContact O-CB 3.45Å; E1205-K1209 VanDerWaalsContact O-CG 3.26Å; E1205-K1209 WeakPolarHBondContact O-CG 3.27Å; E1205-K1209 PolarHBondContact O-N 3.33Å; E1205-K1209 WeakPolarHBondContact OE1-CE 3.24Å; E1205-K1209 IonicContact OE1-NZ 3.93Å; E1205-K1209 PolarHBondContact OE1-NZ 3.11Å; I1207-K1209 VanDerWaalsContact C-N 3.33Å; I1207-K1209 PolarHBondContact O-N 3.37Å; K1209-I1211 VanDerWaalsContact C-N 3.26Å; K1209-I1211 HydrophobicContact CB-CD1 3.55Å; K1209-I1211 HydrophobicContact CB-CG1 3.72Å; K1209-I1211 HydrophobicContact CD-CD1 3.75Å; K1209-I1211 HydrophobicContact CG-CD1 4.29Å; K1209-I1211 PolarHBondContact O-N 3.42Å |
| 1210 | G | 57.1 | Low | 56.4 | Low | 25 Ų | 25 | 81.6 Ų | 81.6 | 26% | 0.258 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 16.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1206 I1207 T1208 N1212 M1213 | L1206-G1210 PolarHBondContact O-N 2.72Å; I1207-G1210 PolarHBondContact O-N 3.23Å; I1207-G1210 VanDerWaalsContact O-N 3.1Å; T1208-G1210 VanDerWaalsContact C-N 3.28Å; T1208-G1210 PolarHBondContact O-N 3.49Å; G1210-N1212 PolarHBondContact O-N 2.73Å; G1210-M1213 PolarHBondContact O-N 3.44Å |
| 1211 | I | 52.8 | Low | 55.9 | Low | 45 Ų | 45 | 86.7 Ų | 86.7 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.4 | -170.9 | -66.6 | 169.6 | 0 | 0 | 0 | 112.3 | L171 L1206 K1209 | L171-I1211 HydrophobicContact CD1-CG2 4.08Å; L1206-I1211 HydrophobicContact CD2-CD1 4.39Å; L1206-I1211 HydrophobicContact CD2-CG2 4.46Å; L1206-I1211 PolarHBondContact O-N 3.35Å; K1209-I1211 VanDerWaalsContact C-N 3.26Å; K1209-I1211 HydrophobicContact CB-CD1 3.55Å; K1209-I1211 HydrophobicContact CB-CG1 3.72Å; K1209-I1211 HydrophobicContact CD-CD1 3.75Å; K1209-I1211 HydrophobicContact CG-CD1 4.29Å; K1209-I1211 PolarHBondContact O-N 3.42Å |
| 1212 | N | 53.8 | Low | 55.3 | Low | 51 Ų | 51 | 88.1 Ų | 88.1 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 11.8 | -176.7 | -82.5 | -12.5 | 0 | 0 | 0 | 115.4 | Y173 G1210 | Y173-N1212 PolarHBondContact OH-ND2 2.83Å; Y173-N1212 PolarHBondContact OH-OD1 3.37Å; Y173-N1212 VanDerWaalsContact OH-OD1 3.05Å; G1210-N1212 PolarHBondContact O-N 2.73Å |
| 1213 | M | 53.9 | Low | 55.1 | Low | 45 Ų | 45 | 88.5 Ų | 88.5 | 22% | 0.222 | 43% | 0.429 | C | S | . | . | trans | -99.3 | 113 | -174.1 | -61.7 | -159.4 | -153.5 | 0 | 0 | 113.2 | R545 T546 P547 I1207 G1210 | R545-M1213 HydrophobicContact CG-CE 4.4Å; T546-M1213 WeakPolarHBondContact CA-SD 3.17Å; P547-M1213 HydrophobicContact CB-CE 4.13Å; P547-M1213 WeakPolarHBondContact CD-SD 3.5Å; P547-M1213 HydrophobicContact CG-CE 3.69Å; P547-M1213 HydrophobicContact CG-SD 3.8Å; P547-M1213 VanDerWaalsContact N-CE 3.26Å; P547-M1213 VanDerWaalsContact N-SD 3.43Å; I1207-M1213 HydrophobicContact CB-CE 4.49Å; I1207-M1213 HydrophobicContact CG2-CE 3.73Å; I1207-M1213 WeakPolarHBondContact O-CE 3.37Å; G1210-M1213 PolarHBondContact O-N 3.44Å | ||
| 1214 | R | 52.5 | Low | 54.8 | Low | 148 Ų | 148 | 89.8 Ų | 89.8 | 56% | 0.558 | 44% | 0.442 | S | S | * | . | trans | -65.7 | 139.8 | 164.6 | -77.7 | -176.3 | 177.1 | 163.9 | 5.2 | 109.8 | L1216 | R1214-L1216 HydrophobicContact CB-CD1 4.23Å; R1214-L1216 PolarHBondContact O-N 2.78Å | ||
| 1215 | Q | 46.9 | Very low | 54.8 | Low | 197 Ų | 197 | 93.4 Ų | 93.4 | 92% | 0.921 | 46% | 0.463 | S | S | * | . | trans | -68.4 | 76.1 | 167.6 | -74.5 | -178.3 | -12.1 | 0 | 0 | 110 | K1217 | Q1215-K1217 PolarHBondContact O-N 3.11Š| ||
| 1216 | L | 47.5 | Very low | 54.7 | Low | 60 Ų | 60 | 93.2 Ų | 93.2 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 3.6 | -175.1 | -141 | 90.2 | 0 | 0 | 0 | 114.1 | R1214 N1218 L1220 | R1214-L1216 HydrophobicContact CB-CD1 4.23Å; R1214-L1216 PolarHBondContact O-N 2.78Å; L1216-N1218 PolarHBondContact O-N 2.91Å; L1216-L1220 HydrophobicContact CD2-CD1 3.94Å |
| 1217 | K | 42.3 | Very low | 54.6 | Low | 169 Ų | 169 | 96.3 Ų | 96.3 | 74% | 0.735 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.8 | -20.5 | -169.9 | -123.8 | 177.7 | -176.6 | 178.4 | 0 | 114.1 | Q1215 | Q1215-K1217 PolarHBondContact O-N 3.11Å |
| 1218 | N | 42 | Very low | 54.3 | Low | 130 Ų | 130 | 99 Ų | 99 | 70% | 0.695 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -91.9 | -34.4 | -176.8 | -70.4 | -9.6 | 0 | 0 | 0 | 113.1 | L1216 L1222 | L1216-N1218 PolarHBondContact O-N 2.91Å; N1218-L1222 WeakPolarHBondContact O-CB 3.39Å; N1218-L1222 PolarHBondContact O-N 3.48Å; N1218-L1222 VanDerWaalsContact O-N 3.09Å |
| 1219 | E | 51.5 | Low | 54.2 | Low | 145 Ų | 145 | 100.4 Ų | 100.4 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.6 | -38.2 | -177.5 | -70.3 | -175.9 | 168.6 | 0 | 0 | 112.7 | L1222 A1223 | E1219-L1222 PolarHBondContact O-N 3.38Å; E1219-A1223 WeakPolarHBondContact O-CB 3.37Å; E1219-A1223 PolarHBondContact O-N 3.01Å |
| 1220 | L | 52 | Low | 54.2 | Low | 91 Ų | 91 | 103.7 Ų | 103.7 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 177.7 | -128 | 104.6 | 0 | 0 | 0 | 111.3 | L1216 L1222 A1223 T1224 | L1216-L1220 HydrophobicContact CD2-CD1 3.94Å; L1220-L1222 VanDerWaalsContact C-N 3.33Å; L1220-L1222 PolarHBondContact O-N 2.96Å; L1220-A1223 PolarHBondContact O-N 3.34Å; L1220-T1224 PolarHBondContact O-N 3.06Å; L1220-T1224 PolarHBondContact O-OG1 3.22Å |
| 1221 | R | 51.3 | Low | 54.3 | Low | 183 Ų | 183 | 107.9 Ų | 107.9 | 69% | 0.691 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 174.4 | -81.4 | -175 | 172.9 | -175.9 | -3 | 111.5 | V1225 | R1221-V1225 WeakPolarHBondContact O-CB 3.49Å; R1221-V1225 WeakPolarHBondContact O-CG2 3.35Å; R1221-V1225 PolarHBondContact O-N 3.25Å |
| 1222 | L | 49.4 | Very low | 54.5 | Low | 115 Ų | 115 | 108 Ų | 108 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 178 | -141.4 | 95.3 | 0 | 0 | 0 | 111.6 | N1218 E1219 L1220 V1225 L1226 | N1218-L1222 WeakPolarHBondContact O-CB 3.39Å; N1218-L1222 PolarHBondContact O-N 3.48Å; N1218-L1222 VanDerWaalsContact O-N 3.09Å; E1219-L1222 PolarHBondContact O-N 3.38Å; L1220-L1222 VanDerWaalsContact C-N 3.33Å; L1220-L1222 PolarHBondContact O-N 2.96Å; L1222-V1225 PolarHBondContact O-N 3.46Å; L1222-L1226 HydrophobicContact CD2-CD1 4.06Å; L1222-L1226 HydrophobicContact CG-CD1 4.39Å; L1222-L1226 VanDerWaalsContact O-CB 3.23Å; L1222-L1226 WeakPolarHBondContact O-CB 3.27Å; L1222-L1226 WeakPolarHBondContact O-CD1 3.36Å; L1222-L1226 WeakPolarHBondContact O-CG 3.37Å; L1222-L1226 PolarHBondContact O-N 3Å |
| 1223 | A | 55.4 | Low | 54.4 | Low | 40 Ų | 40 | 109.2 Ų | 109.2 | 33% | 0.331 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66 | -46.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1219 L1220 V1225 L1226 E1227 | E1219-A1223 WeakPolarHBondContact O-CB 3.37Å; E1219-A1223 PolarHBondContact O-N 3.01Å; L1220-A1223 PolarHBondContact O-N 3.34Å; A1223-V1225 VanDerWaalsContact C-N 3.35Å; A1223-V1225 PolarHBondContact O-N 3.11Å; A1223-L1226 PolarHBondContact O-N 2.95Å; A1223-E1227 WeakPolarHBondContact O-CB 3.39Å; A1223-E1227 PolarHBondContact O-N 3.07Å |
| 1224 | T | 58.5 | Low | 54.2 | Low | 89 Ų | 89 | 109.9 Ų | 109.9 | 55% | 0.546 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.4 | -38.3 | 176.5 | -41.4 | 0 | 0 | 0 | 0 | 111.7 | L1220 E1227 S1228 | L1220-T1224 PolarHBondContact O-N 3.06Å; L1220-T1224 PolarHBondContact O-OG1 3.22Å; T1224-E1227 PolarHBondContact O-N 3.45Å; T1224-S1228 WeakPolarHBondContact O-CB 3.39Å; T1224-S1228 PolarHBondContact O-N 3.44Å; T1224-S1228 PolarHBondContact O-OG 3.49Å |
| 1225 | V | 60.5 | Low | 54.1 | Low | 78 Ų | 78 | 105.6 Ų | 105.6 | 47% | 0.473 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | R1221 L1222 A1223 E1227 S1228 L1229 | R1221-V1225 WeakPolarHBondContact O-CB 3.49Å; R1221-V1225 WeakPolarHBondContact O-CG2 3.35Å; R1221-V1225 PolarHBondContact O-N 3.25Å; L1222-V1225 PolarHBondContact O-N 3.46Å; A1223-V1225 VanDerWaalsContact C-N 3.35Å; A1223-V1225 PolarHBondContact O-N 3.11Å; V1225-E1227 VanDerWaalsContact C-N 3.3Å; V1225-E1227 PolarHBondContact O-N 2.98Å; V1225-S1228 WeakPolarHBondContact CA-OG 3.43Å; V1225-S1228 PolarHBondContact O-N 3.26Å; V1225-S1228 PolarHBondContact O-OG 2.95Å; V1225-L1229 HydrophobicContact CG1-CD1 3.71Å; V1225-L1229 HydrophobicContact CG1-CG 4.31Å; V1225-L1229 VanDerWaalsContact O-CB 3.32Å; V1225-L1229 WeakPolarHBondContact O-CB 3.2Å; V1225-L1229 VanDerWaalsContact O-CG 3.25Å; V1225-L1229 WeakPolarHBondContact O-CG 3.47Å; V1225-L1229 PolarHBondContact O-N 3.09Å |
| 1226 | L | 63.1 | Low | 54.2 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -36 | 176.1 | -80.1 | 164.7 | 0 | 0 | 0 | 112.5 | L1222 A1223 R1230 | L1222-L1226 HydrophobicContact CD2-CD1 4.06Å; L1222-L1226 HydrophobicContact CG-CD1 4.39Å; L1222-L1226 VanDerWaalsContact O-CB 3.23Å; L1222-L1226 WeakPolarHBondContact O-CB 3.27Å; L1222-L1226 WeakPolarHBondContact O-CD1 3.36Å; L1222-L1226 WeakPolarHBondContact O-CG 3.37Å; L1222-L1226 PolarHBondContact O-N 3Å; A1223-L1226 PolarHBondContact O-N 2.95Å; L1226-R1230 WeakPolarHBondContact O-CB 3.45Å; L1226-R1230 WeakPolarHBondContact O-CG 3.28Å; L1226-R1230 PolarHBondContact O-N 2.87Å |
| 1227 | E | 63.3 | Low | 54.2 | Low | 121 Ų | 121 | 103.6 Ų | 103.6 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.5 | -39.5 | 176.7 | -162 | 145.7 | -149.4 | 0 | 0 | 111.7 | A1223 T1224 V1225 L1229 R1230 L1231 | A1223-E1227 WeakPolarHBondContact O-CB 3.39Å; A1223-E1227 PolarHBondContact O-N 3.07Å; T1224-E1227 PolarHBondContact O-N 3.45Å; V1225-E1227 VanDerWaalsContact C-N 3.3Å; V1225-E1227 PolarHBondContact O-N 2.98Å; E1227-L1229 VanDerWaalsContact C-N 3.32Å; E1227-L1229 PolarHBondContact O-N 3.46Å; E1227-R1230 PolarHBondContact O-N 3.17Å; E1227-L1231 HydrophobicContact CG-CD1 4.4Å; E1227-L1231 WeakPolarHBondContact O-CB 3.37Å; E1227-L1231 WeakPolarHBondContact O-CG 3.47Å; E1227-L1231 PolarHBondContact O-N 3.16Å |
| 1228 | S | 62.3 | Low | 54.4 | Low | 63 Ų | 63 | 103.6 Ų | 103.6 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 171.8 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | T1224 V1225 S1232 | T1224-S1228 WeakPolarHBondContact O-CB 3.39Å; T1224-S1228 PolarHBondContact O-N 3.44Å; T1224-S1228 PolarHBondContact O-OG 3.49Å; V1225-S1228 WeakPolarHBondContact CA-OG 3.43Å; V1225-S1228 PolarHBondContact O-N 3.26Å; V1225-S1228 PolarHBondContact O-OG 2.95Å; S1228-S1232 WeakPolarHBondContact O-CB 3.22Å; S1228-S1232 PolarHBondContact O-N 2.9Å; S1228-S1232 PolarHBondContact O-OG 2.98Å |
| 1229 | L | 60.4 | Low | 54.6 | Low | 93 Ų | 93 | 105 Ų | 105 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.1 | -36.6 | 174.3 | -75.9 | 166.8 | 0 | 0 | 0 | 112.1 | V1225 E1227 S1232 T1233 | V1225-L1229 HydrophobicContact CG1-CD1 3.71Å; V1225-L1229 HydrophobicContact CG1-CG 4.31Å; V1225-L1229 VanDerWaalsContact O-CB 3.32Å; V1225-L1229 WeakPolarHBondContact O-CB 3.2Å; V1225-L1229 VanDerWaalsContact O-CG 3.25Å; V1225-L1229 WeakPolarHBondContact O-CG 3.47Å; V1225-L1229 PolarHBondContact O-N 3.09Å; E1227-L1229 VanDerWaalsContact C-N 3.32Å; E1227-L1229 PolarHBondContact O-N 3.46Å; L1229-S1232 WeakPolarHBondContact CA-OG 3.33Å; L1229-S1232 PolarHBondContact O-OG 2.82Å; L1229-S1232 VanDerWaalsContact O-OG 3.05Å; L1229-T1233 WeakPolarHBondContact O-CB 3.4Å; L1229-T1233 PolarHBondContact O-N 3.03Å; L1229-T1233 PolarHBondContact O-OG1 2.9Å |
| 1230 | R | 60.8 | Low | 54.3 | Low | 194 Ų | 194 | 102.1 Ų | 102.1 | 73% | 0.732 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -42 | 173.8 | -88 | -177.6 | 174 | 168.5 | -0.1 | 112 | L1226 E1227 T1233 S1234 | L1226-R1230 WeakPolarHBondContact O-CB 3.45Å; L1226-R1230 WeakPolarHBondContact O-CG 3.28Å; L1226-R1230 PolarHBondContact O-N 2.87Å; E1227-R1230 PolarHBondContact O-N 3.17Å; R1230-T1233 WeakPolarHBondContact CA-OG1 3.46Å; R1230-T1233 PolarHBondContact O-OG1 3.29Å; R1230-S1234 VanDerWaalsContact O-CB 3.3Å; R1230-S1234 WeakPolarHBondContact O-CB 3.43Å; R1230-S1234 PolarHBondContact O-N 3.13Å; R1230-S1234 PolarHBondContact O-OG 3.35Å |
| 1231 | L | 60.5 | Low | 53.8 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 60% | 0.597 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.3 | -43 | 176.9 | -74 | 164.5 | 0 | 0 | 0 | 110.5 | E1227 S1234 S1235 | E1227-L1231 HydrophobicContact CG-CD1 4.4Å; E1227-L1231 WeakPolarHBondContact O-CB 3.37Å; E1227-L1231 WeakPolarHBondContact O-CG 3.47Å; E1227-L1231 PolarHBondContact O-N 3.16Å; L1231-S1234 PolarHBondContact O-N 2.89Å; L1231-S1234 PolarHBondContact O-OG 3.12Å; L1231-S1235 PolarHBondContact O-N 2.76Å; L1231-S1235 VanDerWaalsContact O-N 3.14Å; L1231-S1235 PolarHBondContact O-OG 2.96Å; L1231-S1235 VanDerWaalsContact O-OG 3.07Å |
| 1232 | S | 55.7 | Low | 53.3 | Low | 46 Ų | 46 | 104 Ų | 104 | 32% | 0.322 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -37.3 | 177.7 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | S1228 L1229 S1234 S1235 I1236 | S1228-S1232 WeakPolarHBondContact O-CB 3.22Å; S1228-S1232 PolarHBondContact O-N 2.9Å; S1228-S1232 PolarHBondContact O-OG 2.98Å; L1229-S1232 WeakPolarHBondContact CA-OG 3.33Å; L1229-S1232 PolarHBondContact O-OG 2.82Å; L1229-S1232 VanDerWaalsContact O-OG 3.05Å; S1232-S1234 VanDerWaalsContact C-N 3.34Å; S1232-S1235 WeakPolarHBondContact CA-OG 3.03Å; S1232-S1235 PolarHBondContact O-N 3.46Å; S1232-S1235 PolarHBondContact O-OG 2.94Å; S1232-I1236 WeakPolarHBondContact O-CB 3.5Å; S1232-I1236 WeakPolarHBondContact O-CD1 3.34Å; S1232-I1236 WeakPolarHBondContact O-CG1 3.38Å; S1232-I1236 PolarHBondContact O-N 3.46Å; S1232-I1236 VanDerWaalsContact O-N 3.09Å |
| 1233 | T | 53 | Low | 52.8 | Low | 77 Ų | 77 | 103.5 Ų | 103.5 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72 | -26.7 | 173.5 | 39.7 | 0 | 0 | 0 | 0 | 113 | L1229 R1230 N1237 | L1229-T1233 WeakPolarHBondContact O-CB 3.4Å; L1229-T1233 PolarHBondContact O-N 3.03Å; L1229-T1233 PolarHBondContact O-OG1 2.9Å; R1230-T1233 WeakPolarHBondContact CA-OG1 3.46Å; R1230-T1233 PolarHBondContact O-OG1 3.29Å; T1233-N1237 WeakPolarHBondContact O-CB 3.5Å; T1233-N1237 PolarHBondContact O-N 3.42Å; T1233-N1237 PolarHBondContact O-ND2 2.89Å |
| 1234 | S | 50.3 | Low | 52.1 | Low | 60 Ų | 60 | 107.1 Ų | 107.1 | 42% | 0.42 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.2 | -27.6 | 174.7 | 77.3 | 0 | 0 | 0 | 0 | 113.7 | R1230 L1231 S1232 K1238 | R1230-S1234 VanDerWaalsContact O-CB 3.3Å; R1230-S1234 WeakPolarHBondContact O-CB 3.43Å; R1230-S1234 PolarHBondContact O-N 3.13Å; R1230-S1234 PolarHBondContact O-OG 3.35Å; L1231-S1234 PolarHBondContact O-N 2.89Å; L1231-S1234 PolarHBondContact O-OG 3.12Å; S1232-S1234 VanDerWaalsContact C-N 3.34Å; S1234-K1238 WeakPolarHBondContact O-CG 3.41Å |
| 1235 | S | 48.7 | Very low | 51.2 | Low | 57 Ų | 57 | 108.4 Ų | 108.4 | 40% | 0.399 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -80.6 | -38.7 | 173.4 | 45.3 | 0 | 0 | 0 | 0 | 112.4 | L1231 S1232 N1237 K1238 E1239 | L1231-S1235 PolarHBondContact O-N 2.76Å; L1231-S1235 VanDerWaalsContact O-N 3.14Å; L1231-S1235 PolarHBondContact O-OG 2.96Å; L1231-S1235 VanDerWaalsContact O-OG 3.07Å; S1232-S1235 WeakPolarHBondContact CA-OG 3.03Å; S1232-S1235 PolarHBondContact O-N 3.46Å; S1232-S1235 PolarHBondContact O-OG 2.94Å; S1235-N1237 VanDerWaalsContact C-N 3.33Å; S1235-N1237 PolarHBondContact O-N 3.47Å; S1235-K1238 PolarHBondContact O-N 3.16Å; S1235-E1239 PolarHBondContact O-N 3.12Å |
| 1236 | I | 50.2 | Low | 50.2 | Low | 110 Ų | 110 | 111.6 Ų | 111.6 | 56% | 0.564 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.7 | -30.7 | 177.9 | -65.9 | 165.6 | 0 | 0 | 0 | 112.2 | S1232 S1240 | S1232-I1236 WeakPolarHBondContact O-CB 3.5Å; S1232-I1236 WeakPolarHBondContact O-CD1 3.34Å; S1232-I1236 WeakPolarHBondContact O-CG1 3.38Å; S1232-I1236 PolarHBondContact O-N 3.46Å; S1232-I1236 VanDerWaalsContact O-N 3.09Å; I1236-S1240 PolarHBondContact O-OG 3.02Å |
| 1237 | N | 47.7 | Very low | 49.4 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -83.8 | -9.5 | 175.2 | -76.9 | -28.2 | 0 | 0 | 0 | 114.4 | T1233 S1235 | T1233-N1237 WeakPolarHBondContact O-CB 3.5Å; T1233-N1237 PolarHBondContact O-N 3.42Å; T1233-N1237 PolarHBondContact O-ND2 2.89Å; S1235-N1237 VanDerWaalsContact C-N 3.33Å; S1235-N1237 PolarHBondContact O-N 3.47Å |
| 1238 | K | 45.5 | Very low | 48.3 | Very low | 168 Ų | 168 | 116.3 Ų | 116.3 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -94.5 | -27.2 | 174.5 | -86.4 | -178.6 | 174.1 | -180 | 0 | 113 | S1234 S1235 | S1234-K1238 WeakPolarHBondContact O-CG 3.41Å; S1235-K1238 PolarHBondContact O-N 3.16Å |
| 1239 | E | 46 | Very low | 47.4 | Very low | 161 Ų | 161 | 118.7 Ų | 118.7 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -85.9 | -21.6 | 177.7 | -73.1 | 178.3 | 165.2 | 0 | 0 | 113.7 | S1235 | S1235-E1239 PolarHBondContact O-N 3.12Å |
| 1240 | S | 45.6 | Very low | 46.4 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 58% | 0.58 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 0.4 | 177.5 | 52.9 | 0 | 0 | 0 | 0 | 115 | I1236 | I1236-S1240 PolarHBondContact O-OG 3.02Š|
| 1241 | R | 41 | Very low | 45.6 | Very low | 226 Ų | 226 | 121.2 Ų | 121.2 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 12.6 | -178.5 | -80.8 | -174.7 | 174.6 | -177.2 | -0.7 | 114.8 | ||
| 1242 | A | 42.5 | Very low | 44.8 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 72% | 0.719 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -117.1 | 15 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1243 | S | 38.5 | Very low | 44.2 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -145.1 | 78.2 | -179.5 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1244 | S | 40.8 | Very low | 43.7 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -167.7 | 129.4 | 146.6 | 50 | 0 | 0 | 0 | 0 | 111 | ||||
| 1245 | P | 39 | Very low | 43.3 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | -94.8 | 157.1 | -179.2 | 36.3 | -31 | 0 | 0 | 0 | 112.7 | ||||
| 1246 | N | 40 | Very low | 43 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 61.5 | 109.1 | 156.1 | -71.7 | -10.3 | 0 | 0 | 0 | 119.9 | ||||
| 1247 | N | 45.2 | Very low | 42.5 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | 174.7 | 101.3 | 112.6 | -87.6 | -19.2 | 0 | 0 | 0 | 111.7 | |||||
| 1248 | N | 41.7 | Very low | 42.1 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | 28.9 | 156.9 | 122.5 | -93.9 | 15.5 | 0 | 0 | 0 | 122.2 | |||||
| 1249 | P | 42.1 | Very low | 41.8 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | -126.7 | 159 | -102.9 | 38.7 | -23.6 | 0 | 0 | 0 | 115.1 | |||||
| 1250 | T | 38.7 | Very low | 41.4 | Very low | 218 Ų | 218 | 138.5 Ų | 138.5 | 100% | 1.337 | 82% | 0.816 | S | S | * | * | trans | -150.4 | 0 | 146.1 | 42.1 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 1,250 of 1,250 residues in 2615.6 ms
(Link to these results)