| 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 | 42.4 | Very low | 55.2 | Low | 236 Ų | 236 | 123.5 Ų | 123.5 | 100% | 1.163 | 65% | 0.654 | S | S | * | * | 0 | 111.3 | 0 | -76.7 | 170.3 | 174.5 | 0 | 0 | 107.4 | |||||
| 2 | P | 43.9 | Very low | 56.9 | Low | 123 Ų | 123 | 118.6 Ų | 118.6 | 80% | 0.799 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 147.7 | 178.7 | -6.6 | 23 | 0 | 0 | 0 | 109.6 | ||
| 3 | P | 58.5 | Low | 58.5 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -64 | 144.2 | -168.2 | 27.1 | -33.6 | 0 | 0 | 0 | 111.4 | F5 | P3-F5 PolarHBondContact O-N 3.19Š|
| 4 | K | 51.1 | Low | 59.6 | Low | 204 Ų | 204 | 113.6 Ų | 113.6 | 89% | 0.887 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 119 | 173.4 | -126.2 | 165.5 | 178.5 | 169.6 | 0 | 108.8 | D6 | K4-D6 PolarHBondContact O-N 3.17Å; K4-D6 VanDerWaalsContact O-N 3.16Å |
| 5 | F | 51.3 | Low | 60.5 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 46% | 0.456 | 56% | 0.555 | S | S | . | * | trans | -65.5 | 112.7 | 177.6 | -142.3 | -94.5 | 0 | 0 | 0 | 108.5 | P3 P7 K11 L35 | P3-F5 PolarHBondContact O-N 3.19Å; F5-P7 WeakPolarHBondContact O-CD 3.34Å; F5-K11 HydrophobicContact CE1-CD 3.72Å; F5-K11 HydrophobicContact CE2-CD 4.4Å; F5-K11 VanDerWaalsContact CE2-NZ 3.27Å; F5-K11 HydrophobicContact CZ-CD 3.39Å; F5-L35 HydrophobicContact CE1-CD2 3.56Å; F5-L35 HydrophobicContact CE2-CD2 4.45Å; F5-L35 HydrophobicContact CZ-CD2 3.33Å; F5-L35 HydrophobicContact CZ-CG 4.26Å | ||
| 6 | D | 52.5 | Low | 61.2 | Low | 112 Ų | 112 | 111.6 Ų | 111.6 | 60% | 0.599 | 57% | 0.565 | S | S | * | * | trans | -61.8 | 120.1 | 175.1 | -82.6 | -69.2 | 0 | 0 | 0 | 109.6 | K4 N8 E9 | K4-D6 PolarHBondContact O-N 3.17Å; K4-D6 VanDerWaalsContact O-N 3.16Å; D6-N8 PolarHBondContact O-N 3.49Å; D6-N8 VanDerWaalsContact O-N 3.13Å; D6-E9 PolarHBondContact O-N 3.04Å | ||
| 7 | P | 56.3 | Low | 61.6 | Low | 89 Ų | 89 | 105.4 Ų | 105.4 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.3 | -173.5 | 21.9 | -30.1 | 0 | 0 | 0 | 114.2 | F5 N66 | F5-P7 WeakPolarHBondContact O-CD 3.34Å; P7-N66 PolarHBondContact O-N 2.63Å; P7-N66 PolarHBondContact O-OD1 2.83Å |
| 8 | N | 55.5 | Low | 62 | Low | 124 Ų | 124 | 101.1 Ų | 101.1 | 66% | 0.663 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 1 | 179.1 | -105.1 | 0.6 | 0 | 0 | 0 | 114.5 | D6 T10 | D6-N8 PolarHBondContact O-N 3.49Å; D6-N8 VanDerWaalsContact O-N 3.13Å; N8-T10 PolarHBondContact O-N 3.48Å; N8-T10 VanDerWaalsContact O-N 3.15Å |
| 9 | E | 61.5 | Low | 62.2 | Low | 103 Ų | 103 | 95.8 Ų | 95.8 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | trans | -76.9 | 106.7 | 179 | -159.2 | -174.3 | 169 | 0 | 0 | 110.1 | D6 K11 | D6-E9 PolarHBondContact O-N 3.04Å; E9-K11 HydrophobicContact CG-CG 4.47Å; E9-K11 PolarHBondContact O-N 3.08Å; E9-K11 WeakPolarHBondContact OE1-CE 3.11Å; E9-K11 IonicContact OE1-NZ 3.98Å; E9-K11 WeakPolarHBondContact OE2-CE 3.3Å; E9-K11 IonicContact OE2-NZ 2.84Å; E9-K11 PolarHBondContact OE2-NZ 2.74Å | ||
| 10 | T | 64.7 | Low | 62.2 | Low | 85 Ų | 85 | 92.2 Ų | 92.2 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | trans | -64.4 | 98.5 | 175 | -49.5 | 0 | 0 | 0 | 0 | 109.7 | N8 T63 V65 | N8-T10 PolarHBondContact O-N 3.48Å; N8-T10 VanDerWaalsContact O-N 3.15Å; T10-T63 HydrophobicContact CG2-CG2 3.38Å; T10-V65 HydrophobicContact CG2-CG2 3.94Å | ||
| 11 | K | 69.4 | Low | 62.1 | Low | 56 Ų | 56 | 93.5 Ų | 93.5 | 24% | 0.243 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.7 | 176.6 | -74.3 | -179.6 | -173.9 | 173.1 | 0 | 110.2 | F5 E9 L35 I64 | F5-K11 HydrophobicContact CE1-CD 3.72Å; F5-K11 HydrophobicContact CE2-CD 4.4Å; F5-K11 VanDerWaalsContact CE2-NZ 3.27Å; F5-K11 HydrophobicContact CZ-CD 3.39Å; E9-K11 HydrophobicContact CG-CG 4.47Å; E9-K11 PolarHBondContact O-N 3.08Å; E9-K11 WeakPolarHBondContact OE1-CE 3.11Å; E9-K11 IonicContact OE1-NZ 3.98Å; E9-K11 WeakPolarHBondContact OE2-CE 3.3Å; E9-K11 IonicContact OE2-NZ 2.84Å; E9-K11 PolarHBondContact OE2-NZ 2.74Å; K11-L35 HydrophobicContact CD-CD2 4.18Å; K11-I64 PolarHBondContact N-O 3.08Å; K11-I64 VanDerWaalsContact N-O 3.17Å; K11-I64 PolarHBondContact O-N 2.86Å |
| 12 | V | 75.9 | Confident | 63 | Low | 64 Ų | 64 | 86.3 Ų | 86.3 | 39% | 0.388 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 114.4 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | Y14 K61 L62 | V12-Y14 HydrophobicContact CG1-CD2 4.44Å; V12-Y14 HydrophobicContact CG1-CE1 4.38Å; V12-Y14 HydrophobicContact CG1-CE2 3.8Å; V12-K61 HydrophobicContact CG1-CD 4.01Å; V12-K61 VanDerWaalsContact CG1-CE 3.47Å; V12-K61 HydrophobicContact CG1-CG 3.52Å; V12-L62 CarbonylContact C-O 3.55Å; V12-L62 WeakPolarHBondContact CA-O 3.16Å |
| 13 | V | 76.8 | Confident | 63.7 | Low | 32 Ų | 32 | 80.8 Ų | 80.8 | 19% | 0.194 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.1 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | K31 L35 L62 I64 | V13-K31 HydrophobicContact CG1-CB 4.37Å; V13-K31 HydrophobicContact CG1-CD 4.21Å; V13-L35 HydrophobicContact CG2-CD1 4.07Å; V13-L62 HydrophobicContact CB-CB 4.46Å; V13-L62 PolarHBondContact N-O 3.19Å; V13-L62 PolarHBondContact O-N 3Å; V13-I64 HydrophobicContact CG2-CD1 4.18Å |
| 14 | Y | 74.6 | Confident | 63.7 | Low | 135 Ų | 135 | 77.9 Ų | 77.9 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.1 | 171.6 | -61.8 | -81.6 | 0 | 0 | 0 | 110.2 | V12 K31 K61 | V12-Y14 HydrophobicContact CG1-CD2 4.44Å; V12-Y14 HydrophobicContact CG1-CE1 4.38Å; V12-Y14 HydrophobicContact CG1-CE2 3.8Å; Y14-K31 PolarHBondContact O-NZ 3.43Å; Y14-K61 HydrophobicContact CD1-CB 4.01Å; Y14-K61 HydrophobicContact CD1-CG 4.11Å; Y14-K61 HydrophobicContact CE1-CB 3.86Å; Y14-K61 HydrophobicContact CE1-CD 3.81Å; Y14-K61 HydrophobicContact CE1-CG 3.61Å |
| 15 | M | 72.8 | Confident | 64.1 | Low | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.7 | 175.9 | 74.9 | 168.7 | -61.5 | 0 | 0 | 112.7 | C17 L28 K31 I46 T59 V60 L62 | M15-C17 WeakPolarHBondContact CE-SG 3.16Å; M15-L28 HydrophobicContact CE-CD2 3.19Å; M15-L28 HydrophobicContact CE-CG 3.78Å; M15-L28 HydrophobicContact SD-CD2 3.39Å; M15-L28 WeakPolarHBondContact SD-CD2 3.33Å; M15-K31 HydrophobicContact CB-CD 4.09Å; M15-I46 HydrophobicContact SD-CD1 4.18Å; M15-T59 CarbonylContact O-C 3.25Å; M15-T59 WeakPolarHBondContact O-CA 3.33Å; M15-V60 HydrophobicContact CG-CB 4.38Å; M15-V60 PolarHBondContact N-O 3.16Å; M15-V60 PolarHBondContact O-N 2.98Å; M15-L62 HydrophobicContact CG-CD1 3.63Å; M15-L62 HydrophobicContact SD-CD1 3.33Å; M15-L62 WeakPolarHBondContact SD-CD1 3.43Å |
| 16 | R | 71.6 | Confident | 64.5 | Low | 189 Ų | 189 | 71.5 Ų | 71.5 | 71% | 0.713 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.7 | 173 | -73.3 | -159.5 | -79.1 | -176.3 | -6 | 109.3 | I58 T59 | R16-I58 CarbonylContact C-O 3.56Å; R16-I58 WeakPolarHBondContact CA-O 3.23Å; R16-T59 HydrophobicContact CG-CG2 3.64Å |
| 17 | C | 68.4 | Low | 65.1 | Low | 7 Ų | 7 | 69.1 Ų | 69.1 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 155 | 176.7 | -69.3 | 0 | 0 | 0 | 0 | 110.4 | M15 I46 R57 I58 V60 | M15-C17 WeakPolarHBondContact CE-SG 3.16Å; C17-I46 HydrophobicContact CB-CG2 4.04Å; C17-R57 CarbonylContact O-C 3.59Å; C17-R57 WeakPolarHBondContact O-CA 3.18Å; C17-I58 PolarHBondContact N-O 3.43Å; C17-I58 PolarHBondContact O-N 3Å; C17-V60 HydrophobicContact CB-CG2 4.17Å |
| 18 | T | 69.3 | Low | 65.5 | Low | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.172 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.5 | 162.8 | 41 | 0 | 0 | 0 | 0 | 108.3 | L56 R57 | T18-L56 CarbonylContact C-O 3.59Å; T18-L56 WeakPolarHBondContact CA-O 3.4Å; T18-R57 HydrophobicContact CG2-CG 4.12Å |
| 19 | G | 65.9 | Low | 65.8 | Low | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 146.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E21 T50 W53 K54 G55 L56 | G19-E21 PolarHBondContact O-N 3.21Å; G19-T50 WeakPolarHBondContact CA-OG1 3.42Å; G19-W53 CarbonylContact C-O 3.06Å; G19-W53 VanDerWaalsContact C-O 3.25Å; G19-W53 VanDerWaalsContact CA-O 3.29Å; G19-W53 WeakPolarHBondContact CA-O 3.5Å; G19-K54 CarbonylContact O-C 3.58Å; G19-K54 WeakPolarHBondContact O-CA 3.34Å; G19-G55 PolarHBondContact O-N 3.25Å; G19-L56 PolarHBondContact N-O 2.87Å |
| 20 | G | 61.3 | Low | 66.4 | Low | 23 Ų | 23 | 60.9 Ų | 60.9 | 24% | 0.237 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 2.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | T50 | G20-T50 PolarHBondContact N-O 3.44Å; G20-T50 VanDerWaalsContact N-O 3.1Å |
| 21 | E | 61.3 | Low | 66.5 | Low | 119 Ų | 119 | 61.4 Ų | 61.4 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -124.4 | 146.5 | 165.8 | -83.6 | -173.7 | 131.1 | 0 | 0 | 109.4 | G19 G23 | G19-E21 PolarHBondContact O-N 3.21Å; E21-G23 PolarHBondContact O-N 3.09Å |
| 22 | V | 59.8 | Low | 66.3 | Low | 85 Ų | 85 | 59 Ų | 59 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | trans | -59.4 | 110.2 | 169 | -175.9 | 0 | 0 | 0 | 0 | 107 | A24 A47 | V22-A24 PolarHBondContact O-N 2.86Å; V22-A47 HydrophobicContact CG2-CB 4.29Å | ||
| 23 | G | 60 | Low | 65.8 | Low | 8 Ų | 8 | 58.4 Ų | 58.4 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | trans | -52.9 | 136.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E21 T25 L28 | E21-G23 PolarHBondContact O-N 3.09Å; G23-T25 PolarHBondContact O-N 3.3Å; G23-T25 VanDerWaalsContact O-N 3.1Å; G23-L28 WeakPolarHBondContact O-CD1 3.46Å | ||
| 24 | A | 57.8 | Low | 65.4 | Low | 62 Ų | 62 | 61.5 Ų | 61.5 | 51% | 0.512 | 37% | 0.366 | S | S | . | . | trans | -52.7 | 124 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V22 S26 A27 L28 | V22-A24 PolarHBondContact O-N 2.86Å; A24-S26 PolarHBondContact O-N 3.48Å; A24-A27 PolarHBondContact O-N 3.29Å; A24-L28 PolarHBondContact O-N 3.33Å | ||
| 25 | T | 59.4 | Low | 65 | Low | 77 Ų | 77 | 56 Ų | 56 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -51.2 | -29.6 | 178.1 | 38.3 | 0 | 0 | 0 | 0 | 111.7 | G23 A27 L28 A29 P39 | G23-T25 PolarHBondContact O-N 3.3Å; G23-T25 VanDerWaalsContact O-N 3.1Å; T25-A27 PolarHBondContact O-N 2.96Å; T25-L28 PolarHBondContact O-N 3.18Å; T25-A29 WeakPolarHBondContact O-CB 3.3Å; T25-A29 PolarHBondContact O-N 3.33Å; T25-P39 HydrophobicContact CG2-CB 4.27Å; T25-P39 HydrophobicContact CG2-CG 4.46Å |
| 26 | S | 60.7 | Low | 64.5 | Low | 96 Ų | 96 | 58.5 Ų | 58.5 | 67% | 0.671 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.6 | -29.9 | 175.6 | -39.4 | 0 | 0 | 0 | 0 | 114.9 | A24 P30 | A24-S26 PolarHBondContact O-N 3.48Å; S26-P30 VanDerWaalsContact O-CD 3.3Å; S26-P30 WeakPolarHBondContact O-CD 3.31Å |
| 27 | A | 64.1 | Low | 64.4 | Low | 63 Ų | 63 | 50.7 Ų | 50.7 | 52% | 0.521 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -86.1 | -24.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A24 T25 | A24-A27 PolarHBondContact O-N 3.29Å; T25-A27 PolarHBondContact O-N 2.96Å |
| 28 | L | 65.1 | Low | 64.4 | Low | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -85 | -36.9 | 179 | -78.1 | 156.6 | 0 | 0 | 0 | 112.1 | M15 G23 A24 T25 K31 I32 P39 V42 I46 | M15-L28 HydrophobicContact CE-CD2 3.19Å; M15-L28 HydrophobicContact CE-CG 3.78Å; M15-L28 HydrophobicContact SD-CD2 3.39Å; M15-L28 WeakPolarHBondContact SD-CD2 3.33Å; G23-L28 WeakPolarHBondContact O-CD1 3.46Å; A24-L28 PolarHBondContact O-N 3.33Å; T25-L28 PolarHBondContact O-N 3.18Å; L28-K31 PolarHBondContact O-N 2.67Å; L28-I32 HydrophobicContact CB-CD1 4.05Å; L28-I32 HydrophobicContact CD2-CD1 3.39Å; L28-I32 HydrophobicContact CD2-CG1 4.5Å; L28-I32 HydrophobicContact CG-CD1 4.34Å; L28-I32 WeakPolarHBondContact O-CB 3.46Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.35Å; L28-P39 HydrophobicContact CB-CB 4.28Å; L28-V42 HydrophobicContact CD2-CG1 4.41Å; L28-I46 HydrophobicContact CD2-CD1 4.13Å |
| 29 | A | 62.6 | Low | 64.4 | Low | 45 Ų | 45 | 54.2 Ų | 54.2 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.4 | -41.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T25 K31 G33 | T25-A29 WeakPolarHBondContact O-CB 3.3Å; T25-A29 PolarHBondContact O-N 3.33Å; A29-K31 VanDerWaalsContact C-N 3.28Å; A29-K31 PolarHBondContact O-N 3.36Å; A29-G33 VanDerWaalsContact O-CA 3.28Å; A29-G33 WeakPolarHBondContact O-CA 3.28Å; A29-G33 PolarHBondContact O-N 3.42Å |
| 30 | P | 72.6 | Confident | 64.7 | Low | 95 Ų | 95 | 61.7 Ų | 61.7 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.9 | -28.6 | -178.9 | -20.4 | 32.5 | 0 | 0 | 0 | 113.4 | S26 | S26-P30 VanDerWaalsContact O-CD 3.3Å; S26-P30 WeakPolarHBondContact O-CD 3.31Å |
| 31 | K | 67.5 | Low | 65.4 | Low | 96 Ų | 96 | 67.7 Ų | 67.7 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -93.9 | -33 | -177.9 | -68.8 | -172.4 | 171 | -168.9 | 0 | 112.9 | V13 Y14 M15 L28 A29 L35 | V13-K31 HydrophobicContact CG1-CB 4.37Å; V13-K31 HydrophobicContact CG1-CD 4.21Å; Y14-K31 PolarHBondContact O-NZ 3.43Å; M15-K31 HydrophobicContact CB-CD 4.09Å; L28-K31 PolarHBondContact O-N 2.67Å; A29-K31 VanDerWaalsContact C-N 3.28Å; A29-K31 PolarHBondContact O-N 3.36Å; K31-L35 WeakPolarHBondContact O-CD1 3.35Å |
| 32 | I | 65.6 | Low | 65.9 | Low | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -95.7 | -24.1 | -175.4 | -60.6 | -176.7 | 0 | 0 | 0 | 111.5 | L28 L35 G36 L37 V42 | L28-I32 HydrophobicContact CB-CD1 4.05Å; L28-I32 HydrophobicContact CD2-CD1 3.39Å; L28-I32 HydrophobicContact CD2-CG1 4.5Å; L28-I32 HydrophobicContact CG-CD1 4.34Å; L28-I32 WeakPolarHBondContact O-CB 3.46Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.35Å; I32-L35 PolarHBondContact O-N 3.34Å; I32-L35 VanDerWaalsContact O-N 3.08Å; I32-G36 PolarHBondContact O-N 2.86Å; I32-L37 HydrophobicContact CG2-CB 3.33Å; I32-L37 WeakPolarHBondContact CG2-O 3.42Å; I32-V42 HydrophobicContact CD1-CB 3.97Å; I32-V42 HydrophobicContact CD1-CG1 3.62Å; I32-V42 HydrophobicContact CD1-CG2 4.26Å |
| 33 | G | 64.2 | Low | 66.5 | Low | 53 Ų | 53 | 58.2 Ų | 58.2 | 55% | 0.546 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -52.5 | -49.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A29 L35 G36 | A29-G33 VanDerWaalsContact O-CA 3.28Å; A29-G33 WeakPolarHBondContact O-CA 3.28Å; A29-G33 PolarHBondContact O-N 3.42Å; G33-L35 PolarHBondContact O-N 2.93Å; G33-G36 PolarHBondContact O-N 3.29Å |
| 34 | P | 68.7 | Low | 67.3 | Low | 96 Ų | 96 | 61.4 Ų | 61.4 | 62% | 0.623 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -70.7 | -8.7 | 179 | 26.8 | -33.9 | 0 | 0 | 0 | 114 | ||
| 35 | L | 65.9 | Low | 68.2 | Low | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -102.7 | -1.2 | -176.8 | -73.1 | 150.2 | 0 | 0 | 0 | 113 | F5 K11 V13 K31 I32 G33 L37 I64 | F5-L35 HydrophobicContact CE1-CD2 3.56Å; F5-L35 HydrophobicContact CE2-CD2 4.45Å; F5-L35 HydrophobicContact CZ-CD2 3.33Å; F5-L35 HydrophobicContact CZ-CG 4.26Å; K11-L35 HydrophobicContact CD-CD2 4.18Å; V13-L35 HydrophobicContact CG2-CD1 4.07Å; K31-L35 WeakPolarHBondContact O-CD1 3.35Å; I32-L35 PolarHBondContact O-N 3.34Å; I32-L35 VanDerWaalsContact O-N 3.08Å; G33-L35 PolarHBondContact O-N 2.93Å; L35-L37 HydrophobicContact CB-CD1 4.49Å; L35-L37 PolarHBondContact O-N 2.86Å; L35-I64 HydrophobicContact CB-CD1 4.27Å; L35-I64 HydrophobicContact CD1-CD1 3.26Å; L35-I64 HydrophobicContact CD2-CD1 3.9Å; L35-I64 HydrophobicContact CD2-CG2 4.27Å; L35-I64 HydrophobicContact CG-CD1 3.99Å |
| 36 | G | 63.8 | Low | 68.9 | Low | 58 Ų | 58 | 58.5 Ų | 58.5 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 16.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I32 G33 | I32-G36 PolarHBondContact O-N 2.86Å; G33-G36 PolarHBondContact O-N 3.29Å |
| 37 | L | 68.1 | Low | 69.3 | Low | 25 Ų | 25 | 54.9 Ų | 54.9 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | trans | -89.1 | 141.5 | 178.2 | -88 | 162.1 | 0 | 0 | 0 | 110.2 | I32 L35 P39 V42 I64 R67 A69 | I32-L37 HydrophobicContact CG2-CB 3.33Å; I32-L37 WeakPolarHBondContact CG2-O 3.42Å; L35-L37 HydrophobicContact CB-CD1 4.49Å; L35-L37 PolarHBondContact O-N 2.86Å; L37-P39 WeakPolarHBondContact O-CD 3.31Å; L37-V42 HydrophobicContact CB-CG2 4.37Å; L37-V42 HydrophobicContact CD2-CG2 4.33Å; L37-I64 HydrophobicContact CD1-CD1 3.87Å; L37-I64 HydrophobicContact CD1-CG1 3.9Å; L37-I64 HydrophobicContact CD1-CG2 3.89Å; L37-R67 WeakPolarHBondContact CD2-O 3.42Å; L37-A69 HydrophobicContact CD1-CB 4.22Å | ||
| 38 | S | 67.9 | Low | 69.9 | Low | 64 Ų | 64 | 59.4 Ų | 59.4 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | trans | -74.9 | 120.3 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | K40 K41 V42 | S38-K40 PolarHBondContact O-N 3.38Å; S38-K40 VanDerWaalsContact O-N 3.12Å; S38-K41 PolarHBondContact O-N 2.98Å; S38-V42 PolarHBondContact O-N 2.99Å | ||
| 39 | P | 70.3 | Confident | 70.2 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 29% | 0.286 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -20.4 | -179.4 | 26.3 | -34.5 | 0 | 0 | 0 | 112.5 | T25 L28 L37 G43 | T25-P39 HydrophobicContact CG2-CB 4.27Å; T25-P39 HydrophobicContact CG2-CG 4.46Å; L28-P39 HydrophobicContact CB-CB 4.28Å; L37-P39 WeakPolarHBondContact O-CD 3.31Å; P39-G43 PolarHBondContact O-N 3.43Å |
| 40 | K | 72.3 | Confident | 70.6 | Confident | 159 Ų | 159 | 59.2 Ų | 59.2 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.4 | -51.9 | 174.8 | -162 | 172.8 | -177.1 | -179.1 | 0 | 111.8 | S38 G43 D44 | S38-K40 PolarHBondContact O-N 3.38Å; S38-K40 VanDerWaalsContact O-N 3.12Å; K40-G43 PolarHBondContact O-N 3.03Å; K40-D44 PolarHBondContact O-N 3.09Å; K40-D44 VanDerWaalsContact O-OD2 3.13Å |
| 41 | K | 74.9 | Confident | 70.3 | Confident | 149 Ų | 149 | 56.6 Ų | 56.6 | 65% | 0.648 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.8 | -46.4 | 178.4 | -71.5 | -174.3 | 176.9 | -178.2 | 0 | 111.8 | S38 G43 D44 D45 | S38-K41 PolarHBondContact O-N 2.98Å; K41-G43 VanDerWaalsContact C-N 3.28Å; K41-G43 PolarHBondContact O-N 3.47Å; K41-D44 PolarHBondContact O-N 2.84Å; K41-D45 PolarHBondContact O-N 3.48Å |
| 42 | V | 72.6 | Confident | 70.3 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | L28 I32 L37 S38 I46 L62 A69 | L28-V42 HydrophobicContact CD2-CG1 4.41Å; I32-V42 HydrophobicContact CD1-CB 3.97Å; I32-V42 HydrophobicContact CD1-CG1 3.62Å; I32-V42 HydrophobicContact CD1-CG2 4.26Å; L37-V42 HydrophobicContact CB-CG2 4.37Å; L37-V42 HydrophobicContact CD2-CG2 4.33Å; S38-V42 PolarHBondContact O-N 2.99Å; V42-I46 HydrophobicContact CG1-CD1 3.58Å; V42-I46 HydrophobicContact CG1-CG1 4.19Å; V42-I46 VanDerWaalsContact O-CB 3.29Å; V42-I46 WeakPolarHBondContact O-CB 3.48Å; V42-I46 WeakPolarHBondContact O-CD1 3.42Å; V42-I46 WeakPolarHBondContact O-CG1 3.48Å; V42-I46 PolarHBondContact O-N 3.33Å; V42-L62 HydrophobicContact CG1-CD2 3.87Å; V42-A69 HydrophobicContact CG2-CB 4.22Å |
| 43 | G | 72.4 | Confident | 70.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P39 K40 K41 A47 | P39-G43 PolarHBondContact O-N 3.43Å; K40-G43 PolarHBondContact O-N 3.03Å; K41-G43 VanDerWaalsContact C-N 3.28Å; K41-G43 PolarHBondContact O-N 3.47Å; G43-A47 WeakPolarHBondContact O-CB 3.46Å; G43-A47 PolarHBondContact O-N 3.34Å |
| 44 | D | 77.9 | Confident | 70.5 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 40% | 0.401 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 175.9 | -84.6 | -72 | 0 | 0 | 0 | 112.3 | K40 K41 A47 K48 | K40-D44 PolarHBondContact O-N 3.09Å; K40-D44 VanDerWaalsContact O-OD2 3.13Å; K41-D44 PolarHBondContact O-N 2.84Å; D44-A47 PolarHBondContact O-N 2.94Å; D44-K48 WeakPolarHBondContact O-CG 3.17Å; D44-K48 PolarHBondContact O-N 3.21Å |
| 45 | D | 76.2 | Confident | 70.3 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 40% | 0.401 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 179.6 | -68.8 | -44.7 | 0 | 0 | 0 | 111.7 | K41 K48 A49 I71 | K41-D45 PolarHBondContact O-N 3.48Å; D45-K48 PolarHBondContact O-N 3.32Å; D45-A49 VanDerWaalsContact O-CB 3.32Å; D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-A49 PolarHBondContact O-N 3.21Å; D45-I71 HydrophobicContact CB-CD1 3.31Å |
| 46 | I | 73.4 | Confident | 70.4 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 172.1 | -69.9 | 169 | 0 | 0 | 0 | 110.2 | M15 C17 L28 V42 K48 A49 T50 V60 I71 | M15-I46 HydrophobicContact SD-CD1 4.18Å; C17-I46 HydrophobicContact CB-CG2 4.04Å; L28-I46 HydrophobicContact CD2-CD1 4.13Å; V42-I46 HydrophobicContact CG1-CD1 3.58Å; V42-I46 HydrophobicContact CG1-CG1 4.19Å; V42-I46 VanDerWaalsContact O-CB 3.29Å; V42-I46 WeakPolarHBondContact O-CB 3.48Å; V42-I46 WeakPolarHBondContact O-CD1 3.42Å; V42-I46 WeakPolarHBondContact O-CG1 3.48Å; V42-I46 PolarHBondContact O-N 3.33Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 3.03Å; I46-A49 PolarHBondContact O-N 3.5Å; I46-T50 HydrophobicContact CG2-CG2 4.22Å; I46-T50 VanDerWaalsContact O-CB 3.3Å; I46-T50 WeakPolarHBondContact O-CB 3.44Å; I46-T50 WeakPolarHBondContact O-CG2 3.5Å; I46-T50 PolarHBondContact O-N 2.97Å; I46-T50 PolarHBondContact O-OG1 3.49Å; I46-V60 HydrophobicContact CG2-CG2 4.39Å; I46-I71 HydrophobicContact CG1-CD1 3.76Å; I46-I71 HydrophobicContact CG1-CG1 4.03Å; I46-I71 HydrophobicContact CG1-CG2 4.24Å |
| 47 | A | 69.4 | Low | 70.6 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V22 G43 D44 T50 G51 | V22-A47 HydrophobicContact CG2-CB 4.29Å; G43-A47 WeakPolarHBondContact O-CB 3.46Å; G43-A47 PolarHBondContact O-N 3.34Å; D44-A47 PolarHBondContact O-N 2.94Å; A47-T50 CarbonylContact O-C 3.51Å; A47-G51 WeakPolarHBondContact O-CA 3.39Å; A47-G51 PolarHBondContact O-N 3.22Å |
| 48 | K | 76 | Confident | 70.7 | Confident | 159 Ų | 159 | 63.2 Ų | 63.2 | 69% | 0.691 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.3 | -48.7 | 173.2 | -72 | 175.1 | -174.7 | 172.3 | 0 | 112.1 | D44 D45 I46 T50 G51 | D44-K48 WeakPolarHBondContact O-CG 3.17Å; D44-K48 PolarHBondContact O-N 3.21Å; D45-K48 PolarHBondContact O-N 3.32Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 3.03Å; K48-T50 PolarHBondContact O-N 2.82Å; K48-G51 PolarHBondContact O-N 3.35Å |
| 49 | A | 72.6 | Confident | 70.9 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.1 | -23.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | D45 I46 I71 V73 | D45-A49 VanDerWaalsContact O-CB 3.32Å; D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-A49 PolarHBondContact O-N 3.21Å; I46-A49 PolarHBondContact O-N 3.5Å; A49-I71 HydrophobicContact CB-CG2 3.88Å; A49-V73 HydrophobicContact CB-CG2 4.38Å |
| 50 | T | 70 | Confident | 71 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 17.4 | -178.8 | 65.1 | 0 | 0 | 0 | 0 | 114 | G19 G20 I46 A47 K48 D52 W53 V60 V73 | G19-T50 WeakPolarHBondContact CA-OG1 3.42Å; G20-T50 PolarHBondContact N-O 3.44Å; G20-T50 VanDerWaalsContact N-O 3.1Å; I46-T50 HydrophobicContact CG2-CG2 4.22Å; I46-T50 VanDerWaalsContact O-CB 3.3Å; I46-T50 WeakPolarHBondContact O-CB 3.44Å; I46-T50 WeakPolarHBondContact O-CG2 3.5Å; I46-T50 PolarHBondContact O-N 2.97Å; I46-T50 PolarHBondContact O-OG1 3.49Å; A47-T50 CarbonylContact O-C 3.51Å; K48-T50 PolarHBondContact O-N 2.82Å; T50-D52 VanDerWaalsContact C-N 3.27Å; T50-D52 PolarHBondContact O-N 3.19Å; T50-W53 PolarHBondContact O-N 3.36Å; T50-V60 HydrophobicContact CG2-CG2 4.43Å; T50-V73 HydrophobicContact CG2-CG1 4.49Å; T50-V73 HydrophobicContact CG2-CG2 3.76Å |
| 51 | G | 67.1 | Low | 71.2 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -57.7 | -38.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | A47 K48 W53 | A47-G51 WeakPolarHBondContact O-CA 3.39Å; A47-G51 PolarHBondContact O-N 3.22Å; K48-G51 PolarHBondContact O-N 3.35Å; G51-W53 PolarHBondContact O-N 3.21Å; G51-W53 VanDerWaalsContact O-N 3.14Å |
| 52 | D | 67.9 | Low | 71.2 | Confident | 124 Ų | 124 | 48.3 Ų | 48.3 | 66% | 0.663 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -68.9 | -6.4 | 176.7 | -59.6 | -78.8 | 0 | 0 | 0 | 114.2 | T50 | T50-D52 VanDerWaalsContact C-N 3.27Å; T50-D52 PolarHBondContact O-N 3.19Å |
| 53 | W | 68.3 | Low | 71.4 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 11% | 0.106 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -119.2 | 39.2 | -172.5 | -53 | 92.6 | 0 | 0 | 0 | 113.2 | G19 T50 G51 G55 L56 I58 P75 A79 L80 K83 | G19-W53 CarbonylContact C-O 3.06Å; G19-W53 VanDerWaalsContact C-O 3.25Å; G19-W53 VanDerWaalsContact CA-O 3.29Å; G19-W53 WeakPolarHBondContact CA-O 3.5Å; T50-W53 PolarHBondContact O-N 3.36Å; G51-W53 PolarHBondContact O-N 3.21Å; G51-W53 VanDerWaalsContact O-N 3.14Å; W53-G55 PolarHBondContact O-N 3.37Å; W53-L56 PolarHBondContact O-N 3.11Å; W53-I58 HydrophobicContact CB-CD1 3.09Å; W53-I58 HydrophobicContact CD2-CD1 3.51Å; W53-I58 HydrophobicContact CE3-CD1 3.87Å; W53-I58 HydrophobicContact CG-CD1 3.21Å; W53-P75 HydrophobicContact CH2-CB 4.36Å; W53-P75 HydrophobicContact CZ2-CB 4.49Å; W53-A79 HydrophobicContact CE3-CB 3.86Å; W53-A79 HydrophobicContact CZ3-CB 3.63Å; W53-A79 WeakPolarHBondContact CZ3-O 3.37Å; W53-L80 HydrophobicContact CH2-CD2 3.78Å; W53-L80 HydrophobicContact CH2-CG 4.26Å; W53-K83 HydrophobicContact CE3-CD 4.45Å; W53-K83 HydrophobicContact CH2-CD 3.91Å; W53-K83 HydrophobicContact CZ2-CD 4.4Å; W53-K83 HydrophobicContact CZ3-CB 4.07Å; W53-K83 HydrophobicContact CZ3-CD 3.91Å |
| 54 | K | 64 | Low | 71.4 | Confident | 131 Ų | 131 | 50.1 Ų | 50.1 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 122 | -173.1 | -164.3 | 172.1 | -176.7 | 177.9 | 0 | 112.6 | G19 | G19-K54 CarbonylContact O-C 3.58Å; G19-K54 WeakPolarHBondContact O-CA 3.34Å |
| 55 | G | 64.6 | Low | 71 | Confident | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 4.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G19 W53 | G19-G55 PolarHBondContact O-N 3.25Å; W53-G55 PolarHBondContact O-N 3.37Å |
| 56 | L | 68.9 | Low | 70.5 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | trans | -98.3 | 148.7 | 172.9 | -73.5 | 100.9 | 0 | 0 | 0 | 112 | T18 G19 W53 I58 A79 I82 | T18-L56 CarbonylContact C-O 3.59Å; T18-L56 WeakPolarHBondContact CA-O 3.4Å; G19-L56 PolarHBondContact N-O 2.87Å; W53-L56 PolarHBondContact O-N 3.11Å; L56-I58 HydrophobicContact CB-CD1 4.42Å; L56-I58 HydrophobicContact CB-CG1 4.35Å; L56-A79 HydrophobicContact CD2-CB 4.02Å; L56-I82 HydrophobicContact CD1-CG2 4.15Å; L56-I82 HydrophobicContact CD2-CB 3.89Å; L56-I82 HydrophobicContact CD2-CD1 3.67Å; L56-I82 HydrophobicContact CD2-CG1 4.37Å; L56-I82 HydrophobicContact CD2-CG2 3.9Å; L56-I82 HydrophobicContact CG-CG2 4.42Å | ||
| 57 | R | 67.3 | Low | 70 | Confident | 165 Ų | 165 | 58.9 Ų | 58.9 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 113.8 | 168.9 | -76.9 | -176.6 | 164.7 | -174 | -7.2 | 108.9 | C17 T18 R92 | C17-R57 CarbonylContact O-C 3.59Å; C17-R57 WeakPolarHBondContact O-CA 3.18Å; T18-R57 HydrophobicContact CG2-CG 4.12Å; R57-R92 VanDerWaalsContact NH2-NH2 3.15Å |
| 58 | I | 71.3 | Confident | 69.8 | Low | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.5 | -179 | -66.7 | 165.3 | 0 | 0 | 0 | 110.4 | R16 C17 W53 L56 V73 A79 | R16-I58 CarbonylContact C-O 3.56Å; R16-I58 WeakPolarHBondContact CA-O 3.23Å; C17-I58 PolarHBondContact N-O 3.43Å; C17-I58 PolarHBondContact O-N 3Å; W53-I58 HydrophobicContact CB-CD1 3.09Å; W53-I58 HydrophobicContact CD2-CD1 3.51Å; W53-I58 HydrophobicContact CE3-CD1 3.87Å; W53-I58 HydrophobicContact CG-CD1 3.21Å; L56-I58 HydrophobicContact CB-CD1 4.42Å; L56-I58 HydrophobicContact CB-CG1 4.35Å; I58-V73 HydrophobicContact CG2-CG1 3.58Å; I58-A79 HydrophobicContact CG1-CB 4.37Å |
| 59 | T | 72.3 | Confident | 69.4 | Low | 48 Ų | 48 | 58.8 Ų | 58.8 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.2 | 167.8 | 36.2 | 0 | 0 | 0 | 0 | 110.3 | M15 R16 V74 | M15-T59 CarbonylContact O-C 3.25Å; M15-T59 WeakPolarHBondContact O-CA 3.33Å; R16-T59 HydrophobicContact CG-CG2 3.64Å; T59-V74 WeakPolarHBondContact O-CB 3.06Å; T59-V74 PolarHBondContact O-N 3.4Å; T59-V74 PolarHBondContact OG1-O 3.47Å |
| 60 | V | 71.4 | Confident | 69.4 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.2 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | M15 C17 I46 T50 L62 I71 | M15-V60 HydrophobicContact CG-CB 4.38Å; M15-V60 PolarHBondContact N-O 3.16Å; M15-V60 PolarHBondContact O-N 2.98Å; C17-V60 HydrophobicContact CB-CG2 4.17Å; I46-V60 HydrophobicContact CG2-CG2 4.39Å; T50-V60 HydrophobicContact CG2-CG2 4.43Å; V60-L62 HydrophobicContact CG1-CG 4.37Å; V60-I71 HydrophobicContact CG1-CG2 3.6Å |
| 61 | K | 77.3 | Confident | 69.4 | Low | 51 Ų | 51 | 61.6 Ų | 61.6 | 22% | 0.222 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.7 | 169.8 | -178.5 | -175.3 | 171.8 | -158.2 | 0 | 107.2 | V12 Y14 E72 V74 | V12-K61 HydrophobicContact CG1-CD 4.01Å; V12-K61 VanDerWaalsContact CG1-CE 3.47Å; V12-K61 HydrophobicContact CG1-CG 3.52Å; Y14-K61 HydrophobicContact CD1-CB 4.01Å; Y14-K61 HydrophobicContact CD1-CG 4.11Å; Y14-K61 HydrophobicContact CE1-CB 3.86Å; Y14-K61 HydrophobicContact CE1-CD 3.81Å; Y14-K61 HydrophobicContact CE1-CG 3.61Å; K61-E72 HydrophobicContact CB-CB 4.36Å; K61-E72 PolarHBondContact N-O 3.36Å; K61-E72 IonicContact NZ-OE2 3.21Å; K61-E72 PolarHBondContact NZ-OE2 2.96Å; K61-E72 PolarHBondContact O-N 3.05Å; K61-V74 HydrophobicContact CB-CG2 3.75Å |
| 62 | L | 74.7 | Confident | 69.7 | Low | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 114.2 | 175.3 | -73.5 | 144.5 | 0 | 0 | 0 | 107.8 | V12 V13 M15 V42 V60 A69 A70 I71 | V12-L62 CarbonylContact C-O 3.55Å; V12-L62 WeakPolarHBondContact CA-O 3.16Å; V13-L62 HydrophobicContact CB-CB 4.46Å; V13-L62 PolarHBondContact N-O 3.19Å; V13-L62 PolarHBondContact O-N 3Å; M15-L62 HydrophobicContact CG-CD1 3.63Å; M15-L62 HydrophobicContact SD-CD1 3.33Å; M15-L62 WeakPolarHBondContact SD-CD1 3.43Å; V42-L62 HydrophobicContact CG1-CD2 3.87Å; V60-L62 HydrophobicContact CG1-CG 4.37Å; L62-A69 HydrophobicContact CD2-CB 3.84Å; L62-A70 WeakPolarHBondContact CA-O 3.32Å; L62-I71 HydrophobicContact CD2-CG1 3.6Å |
| 63 | T | 77.1 | Confident | 69.9 | Low | 30 Ų | 30 | 60.5 Ų | 60.5 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.1 | 170.2 | -53.5 | 0 | 0 | 0 | 0 | 107.1 | T10 V65 A70 | T10-T63 HydrophobicContact CG2-CG2 3.38Å; T63-V65 HydrophobicContact CG2-CG2 4.35Å; T63-A70 PolarHBondContact N-O 3.42Å; T63-A70 PolarHBondContact O-N 3.13Å |
| 64 | I | 71.8 | Confident | 70 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.9 | -177.1 | -60 | 165.2 | 0 | 0 | 0 | 108.4 | K11 V13 L35 L37 Q68 | K11-I64 PolarHBondContact N-O 3.08Å; K11-I64 VanDerWaalsContact N-O 3.17Å; K11-I64 PolarHBondContact O-N 2.86Å; V13-I64 HydrophobicContact CG2-CD1 4.18Å; L35-I64 HydrophobicContact CB-CD1 4.27Å; L35-I64 HydrophobicContact CD1-CD1 3.26Å; L35-I64 HydrophobicContact CD2-CD1 3.9Å; L35-I64 HydrophobicContact CD2-CG2 4.27Å; L35-I64 HydrophobicContact CG-CD1 3.99Å; L37-I64 HydrophobicContact CD1-CD1 3.87Å; L37-I64 HydrophobicContact CD1-CG1 3.9Å; L37-I64 HydrophobicContact CD1-CG2 3.89Å; I64-Q68 WeakPolarHBondContact CA-O 3.25Å |
| 65 | V | 69.6 | Low | 70.3 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.1 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | T10 T63 R67 Q68 | T10-V65 HydrophobicContact CG2-CG2 3.94Å; T63-V65 HydrophobicContact CG2-CG2 4.35Å; V65-R67 VanDerWaalsContact C-N 3.25Å; V65-R67 PolarHBondContact O-N 2.98Å; V65-R67 VanDerWaalsContact O-N 3.08Å; V65-Q68 PolarHBondContact N-O 3.17Å; V65-Q68 VanDerWaalsContact N-O 3.07Å; V65-Q68 PolarHBondContact O-N 3.46Å |
| 66 | N | 65.9 | Low | 70.6 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.9 | 175.6 | -69.7 | -46 | 0 | 0 | 0 | 114.9 | P7 Q68 | P7-N66 PolarHBondContact O-N 2.63Å; P7-N66 PolarHBondContact O-OD1 2.83Å; N66-Q68 PolarHBondContact O-N 3.18Å; N66-Q68 VanDerWaalsContact O-N 3.16Å |
| 67 | R | 61.9 | Low | 70.6 | Confident | 197 Ų | 197 | 57 Ų | 57 | 74% | 0.743 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 23.1 | -176 | -54.9 | 176 | 171 | 175.2 | -3.1 | 114.4 | L37 V65 | L37-R67 WeakPolarHBondContact CD2-O 3.42Å; V65-R67 VanDerWaalsContact C-N 3.25Å; V65-R67 PolarHBondContact O-N 2.98Å; V65-R67 VanDerWaalsContact O-N 3.08Å |
| 68 | Q | 65.9 | Low | 70.7 | Confident | 151 Ų | 151 | 51.5 Ų | 51.5 | 71% | 0.706 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.7 | 166.5 | -64.7 | -179 | 5.6 | 0 | 0 | 108.1 | I64 V65 N66 | I64-Q68 WeakPolarHBondContact CA-O 3.25Å; V65-Q68 PolarHBondContact N-O 3.17Å; V65-Q68 VanDerWaalsContact N-O 3.07Å; V65-Q68 PolarHBondContact O-N 3.46Å; N66-Q68 PolarHBondContact O-N 3.18Å; N66-Q68 VanDerWaalsContact O-N 3.16Å |
| 69 | A | 66.4 | Low | 70.7 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 107.8 | 179 | 0 | 0 | 0 | 0 | 0 | 108.5 | L37 V42 L62 | L37-A69 HydrophobicContact CD1-CB 4.22Å; V42-A69 HydrophobicContact CG2-CB 4.22Å; L62-A69 HydrophobicContact CD2-CB 3.84Å |
| 70 | A | 72.7 | Confident | 70.9 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 50% | 0.504 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | L62 T63 | L62-A70 WeakPolarHBondContact CA-O 3.32Å; T63-A70 PolarHBondContact N-O 3.42Å; T63-A70 PolarHBondContact O-N 3.13Å |
| 71 | I | 70.7 | Confident | 71 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.205 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 110.6 | -176.6 | -71.1 | 152.2 | 0 | 0 | 0 | 108 | D45 I46 A49 V60 L62 | D45-I71 HydrophobicContact CB-CD1 3.31Å; I46-I71 HydrophobicContact CG1-CD1 3.76Å; I46-I71 HydrophobicContact CG1-CG1 4.03Å; I46-I71 HydrophobicContact CG1-CG2 4.24Å; A49-I71 HydrophobicContact CB-CG2 3.88Å; V60-I71 HydrophobicContact CG1-CG2 3.6Å; L62-I71 HydrophobicContact CD2-CG1 3.6Å |
| 72 | E | 74.1 | Confident | 70.7 | Confident | 105 Ų | 105 | 49.5 Ų | 49.5 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.4 | 171.5 | -164.5 | -178 | -178.2 | 0 | 0 | 107.9 | K61 V74 | K61-E72 HydrophobicContact CB-CB 4.36Å; K61-E72 PolarHBondContact N-O 3.36Å; K61-E72 IonicContact NZ-OE2 3.21Å; K61-E72 PolarHBondContact NZ-OE2 2.96Å; K61-E72 PolarHBondContact O-N 3.05Å; E72-V74 PolarHBondContact O-N 2.86Å |
| 73 | V | 71.8 | Confident | 70.5 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 22% | 0.218 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | A49 T50 I58 P75 | A49-V73 HydrophobicContact CB-CG2 4.38Å; T50-V73 HydrophobicContact CG2-CG1 4.49Å; T50-V73 HydrophobicContact CG2-CG2 3.76Å; I58-V73 HydrophobicContact CG2-CG1 3.58Å; V73-P75 WeakPolarHBondContact O-CD 3.46Å |
| 74 | V | 70.2 | Confident | 70.1 | Confident | 38 Ų | 38 | 54 Ų | 54 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 100.1 | 174.2 | 180 | 0 | 0 | 0 | 0 | 106.8 | T59 K61 E72 S76 | T59-V74 WeakPolarHBondContact O-CB 3.06Å; T59-V74 PolarHBondContact O-N 3.4Å; T59-V74 PolarHBondContact OG1-O 3.47Å; K61-V74 HydrophobicContact CB-CG2 3.75Å; E72-V74 PolarHBondContact O-N 2.86Å; V74-S76 PolarHBondContact O-N 3.1Å |
| 75 | P | 69.4 | Low | 69.8 | Low | 36 Ų | 36 | 54.4 Ų | 54.4 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | trans | -69.9 | 131.2 | -173.2 | 17.4 | -20.1 | 0 | 0 | 0 | 110.3 | W53 V73 L80 R119 | W53-P75 HydrophobicContact CH2-CB 4.36Å; W53-P75 HydrophobicContact CZ2-CB 4.49Å; V73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-L80 HydrophobicContact CB-CD1 4.19Å; P75-L80 HydrophobicContact CB-CD2 4.5Å; P75-L80 HydrophobicContact CB-CG 4.22Å; P75-R119 PolarHBondContact O-NH1 3.47Å; P75-R119 PolarHBondContact O-NH2 3.33Å | ||
| 76 | S | 71.9 | Confident | 69.5 | Low | 37 Ų | 37 | 60.5 Ų | 60.5 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | trans | -85.6 | 154.3 | 172 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | V74 S78 A79 L80 | V74-S76 PolarHBondContact O-N 3.1Å; S76-S78 VanDerWaalsContact C-N 3.26Å; S76-S78 PolarHBondContact O-N 3.38Å; S76-A79 WeakPolarHBondContact O-CB 3.46Å; S76-A79 PolarHBondContact O-N 2.98Å; S76-A79 WeakPolarHBondContact OG-CB 3.18Å; S76-A79 PolarHBondContact OG-N 3.14Å; S76-L80 PolarHBondContact O-N 2.91Å; S76-L80 VanDerWaalsContact O-N 3.08Å | ||
| 77 | A | 69.1 | Low | 68.9 | Low | 18 Ų | 18 | 59 Ų | 59 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.4 | -47.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A79 L80 I81 M116 T135 | A77-A79 VanDerWaalsContact C-N 3.26Å; A77-A79 PolarHBondContact O-N 3.34Å; A77-L80 PolarHBondContact O-N 3.3Å; A77-L80 VanDerWaalsContact O-N 3.16Å; A77-I81 VanDerWaalsContact O-CG1 3.3Å; A77-I81 WeakPolarHBondContact O-CG1 3.41Å; A77-I81 PolarHBondContact O-N 2.74Å; A77-M116 WeakPolarHBondContact CA-SD 3.49Å; A77-M116 HydrophobicContact CB-CE 3.55Å; A77-M116 HydrophobicContact CB-SD 3.41Å; A77-M116 WeakPolarHBondContact CB-SD 3.44Å; A77-T135 HydrophobicContact CB-CG2 4.11Å |
| 78 | S | 68.4 | Low | 68.5 | Low | 50 Ų | 50 | 54.7 Ų | 54.7 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 177 | -40.2 | 0 | 0 | 0 | 0 | 112.5 | S76 I82 | S76-S78 VanDerWaalsContact C-N 3.26Å; S76-S78 PolarHBondContact O-N 3.38Å; S78-I82 WeakPolarHBondContact O-CB 3.25Å; S78-I82 VanDerWaalsContact O-CD1 3.27Å; S78-I82 WeakPolarHBondContact O-CD1 3.49Å; S78-I82 WeakPolarHBondContact O-CG1 3.34Å; S78-I82 PolarHBondContact O-N 2.88Å |
| 79 | A | 72.9 | Confident | 67.9 | Low | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.7 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W53 L56 I58 S76 A77 I82 K83 | W53-A79 HydrophobicContact CE3-CB 3.86Å; W53-A79 HydrophobicContact CZ3-CB 3.63Å; W53-A79 WeakPolarHBondContact CZ3-O 3.37Å; L56-A79 HydrophobicContact CD2-CB 4.02Å; I58-A79 HydrophobicContact CG1-CB 4.37Å; S76-A79 WeakPolarHBondContact O-CB 3.46Å; S76-A79 PolarHBondContact O-N 2.98Å; S76-A79 WeakPolarHBondContact OG-CB 3.18Å; S76-A79 PolarHBondContact OG-N 3.14Å; A77-A79 VanDerWaalsContact C-N 3.26Å; A77-A79 PolarHBondContact O-N 3.34Å; A79-I82 PolarHBondContact O-N 3.05Å; A79-K83 WeakPolarHBondContact O-CB 3.18Å; A79-K83 PolarHBondContact O-N 2.84Å |
| 80 | L | 75.9 | Confident | 67.4 | Low | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 178 | -72.9 | 164.6 | 0 | 0 | 0 | 112 | W53 P75 S76 A77 K83 A84 V112 M116 | W53-L80 HydrophobicContact CH2-CD2 3.78Å; W53-L80 HydrophobicContact CH2-CG 4.26Å; P75-L80 HydrophobicContact CB-CD1 4.19Å; P75-L80 HydrophobicContact CB-CD2 4.5Å; P75-L80 HydrophobicContact CB-CG 4.22Å; S76-L80 PolarHBondContact O-N 2.91Å; S76-L80 VanDerWaalsContact O-N 3.08Å; A77-L80 PolarHBondContact O-N 3.3Å; A77-L80 VanDerWaalsContact O-N 3.16Å; L80-K83 WeakPolarHBondContact O-CB 3.47Å; L80-K83 PolarHBondContact O-N 3.29Å; L80-A84 PolarHBondContact O-N 2.83Å; L80-V112 HydrophobicContact CB-CG1 3.7Å; L80-V112 HydrophobicContact CB-CG2 4.03Å; L80-V112 HydrophobicContact CD1-CG1 4.03Å; L80-V112 HydrophobicContact CG-CG1 4.47Å; L80-M116 HydrophobicContact CD1-CE 4.37Å; L80-M116 HydrophobicContact CD1-CG 3.83Å; L80-M116 HydrophobicContact CD1-SD 4.16Å |
| 81 | I | 72.4 | Confident | 66.2 | Low | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 176.3 | -65.4 | 163.7 | 0 | 0 | 0 | 111.1 | A77 K83 A84 L85 V104 I132 T135 A136 C141 | A77-I81 VanDerWaalsContact O-CG1 3.3Å; A77-I81 WeakPolarHBondContact O-CG1 3.41Å; A77-I81 PolarHBondContact O-N 2.74Å; I81-K83 PolarHBondContact O-N 3.05Å; I81-A84 WeakPolarHBondContact O-CB 3.3Å; I81-A84 PolarHBondContact O-N 2.77Å; I81-A84 VanDerWaalsContact O-N 3.17Å; I81-L85 HydrophobicContact CG2-CD1 4.38Å; I81-L85 WeakPolarHBondContact O-CG 3.43Å; I81-L85 PolarHBondContact O-N 3Å; I81-V104 HydrophobicContact CG2-CG2 4.35Å; I81-I132 HydrophobicContact CD1-CG2 4.06Å; I81-I132 HydrophobicContact CG1-CG2 4.32Å; I81-T135 WeakPolarHBondContact CD1-OG1 3.48Å; I81-A136 HydrophobicContact CD1-CB 4.16Å; I81-C141 VanDerWaalsContact CG2-SG 3.51Å |
| 82 | I | 71.8 | Confident | 65.4 | Low | 23 Ų | 23 | 65.6 Ų | 65.6 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 178 | -66.6 | 165 | 0 | 0 | 0 | 111.2 | L56 S78 A79 V139 | L56-I82 HydrophobicContact CD1-CG2 4.15Å; L56-I82 HydrophobicContact CD2-CB 3.89Å; L56-I82 HydrophobicContact CD2-CD1 3.67Å; L56-I82 HydrophobicContact CD2-CG1 4.37Å; L56-I82 HydrophobicContact CD2-CG2 3.9Å; L56-I82 HydrophobicContact CG-CG2 4.42Å; S78-I82 WeakPolarHBondContact O-CB 3.25Å; S78-I82 VanDerWaalsContact O-CD1 3.27Å; S78-I82 WeakPolarHBondContact O-CD1 3.49Å; S78-I82 WeakPolarHBondContact O-CG1 3.34Å; S78-I82 PolarHBondContact O-N 2.88Å; A79-I82 PolarHBondContact O-N 3.05Å; I82-V139 HydrophobicContact CD1-CG1 4.39Å; I82-V139 HydrophobicContact CG1-CG1 3.93Å |
| 83 | K | 70.8 | Confident | 64.4 | Low | 108 Ų | 108 | 70.1 Ų | 70.1 | 47% | 0.47 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 172.6 | -172.8 | 175 | -178.8 | 175 | 0 | 111.9 | W53 A79 L80 I81 L85 K86 | W53-K83 HydrophobicContact CE3-CD 4.45Å; W53-K83 HydrophobicContact CH2-CD 3.91Å; W53-K83 HydrophobicContact CZ2-CD 4.4Å; W53-K83 HydrophobicContact CZ3-CB 4.07Å; W53-K83 HydrophobicContact CZ3-CD 3.91Å; A79-K83 WeakPolarHBondContact O-CB 3.18Å; A79-K83 PolarHBondContact O-N 2.84Å; L80-K83 WeakPolarHBondContact O-CB 3.47Å; L80-K83 PolarHBondContact O-N 3.29Å; I81-K83 PolarHBondContact O-N 3.05Å; K83-L85 VanDerWaalsContact C-N 3.32Å; K83-K86 PolarHBondContact O-N 3.08Å |
| 84 | A | 67.4 | Low | 63.4 | Low | 21 Ų | 21 | 76.9 Ų | 76.9 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L80 I81 K86 V104 E108 | L80-A84 PolarHBondContact O-N 2.83Å; I81-A84 WeakPolarHBondContact O-CB 3.3Å; I81-A84 PolarHBondContact O-N 2.77Å; I81-A84 VanDerWaalsContact O-N 3.17Å; A84-K86 PolarHBondContact O-N 2.7Å; A84-K86 VanDerWaalsContact O-N 3.08Å; A84-V104 HydrophobicContact CB-CG1 4.32Å; A84-E108 HydrophobicContact CB-CB 4.34Å |
| 85 | L | 65.5 | Low | 62.1 | Low | 21 Ų | 21 | 79.3 Ų | 79.3 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.1 | 177.2 | -77.6 | 178.6 | 0 | 0 | 0 | 115.7 | I81 K83 E87 V104 V139 C141 | I81-L85 HydrophobicContact CG2-CD1 4.38Å; I81-L85 WeakPolarHBondContact O-CG 3.43Å; I81-L85 PolarHBondContact O-N 3Å; K83-L85 VanDerWaalsContact C-N 3.32Å; L85-E87 HydrophobicContact CB-CG 4.14Å; L85-E87 PolarHBondContact O-N 2.73Å; L85-V104 HydrophobicContact CD2-CB 4.46Å; L85-V104 HydrophobicContact CD2-CG2 3.3Å; L85-V104 HydrophobicContact CG-CG2 3.72Å; L85-V139 HydrophobicContact CD1-CG1 4.41Å; L85-C141 HydrophobicContact CD1-CB 4.43Å; L85-C141 WeakPolarHBondContact CD1-SG 3.45Å |
| 86 | K | 63.3 | Low | 61 | Low | 179 Ų | 179 | 87.1 Ų | 87.1 | 78% | 0.778 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 31.2 | -176.3 | -65.9 | 175.4 | -178.2 | 165.9 | 0 | 113.1 | K83 A84 | K83-K86 PolarHBondContact O-N 3.08Å; A84-K86 PolarHBondContact O-N 2.7Å; A84-K86 VanDerWaalsContact O-N 3.08Å |
| 87 | E | 55.1 | Low | 59.9 | Low | 56 Ų | 56 | 92.7 Ų | 92.7 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 142.8 | -178.6 | -87 | -179.3 | 163.2 | 0 | 0 | 109.9 | L85 H100 G102 | L85-E87 HydrophobicContact CB-CG 4.14Å; L85-E87 PolarHBondContact O-N 2.73Å; E87-H100 WeakPolarHBondContact OE1-CA 3.47Å; E87-H100 WeakPolarHBondContact OE1-CB 3.41Å; E87-H100 VanDerWaalsContact OE2-CB 3.28Å; E87-H100 WeakPolarHBondContact OE2-CB 3.41Å; E87-H100 IonicContact OE2-CD2 3.9Å; E87-H100 PolarHBondContact OE2-CD2 3.08Å; E87-H100 IonicContact OE2-CG 3.99Å; E87-H100 IonicContact OE2-ND1 3.16Å; E87-H100 IonicContact OE2-NE2 3.3Å; E87-G102 PolarHBondContact OE1-N 3.27Å |
| 88 | P | 52.7 | Low | 59.2 | Low | 107 Ų | 107 | 96.6 Ų | 96.6 | 70% | 0.695 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 150.7 | -173.3 | 21.4 | -31.8 | 0 | 0 | 0 | 112.2 | R90 | P88-R90 PolarHBondContact O-N 3.46Š|
| 89 | P | 53.3 | Low | 58.5 | Low | 94 Ų | 94 | 102.7 Ų | 102.7 | 61% | 0.61 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 126 | -174.8 | 20.3 | -32 | 0 | 0 | 0 | 111.1 | D91 | P89-D91 PolarHBondContact O-N 3.05Å; P89-D91 VanDerWaalsContact O-N 3.09Å |
| 90 | R | 55.6 | Low | 57.7 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | trans | -59.3 | 112.5 | -176.5 | -89.9 | 178.3 | 158.6 | -169 | -3.2 | 111.8 | P88 R92 H100 | P88-R90 PolarHBondContact O-N 3.46Å; R90-R92 PolarHBondContact O-N 3.1Å; R90-H100 PolarHBondContact NH2-CE1 3.29Å; R90-H100 VanDerWaalsContact NH2-CE1 3.32Å; R90-H100 PolarHBondContact NH2-NE2 3.36Å | ||
| 91 | D | 48.7 | Very low | 56.7 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | trans | -86.1 | 94 | 168.9 | -132.9 | -53.4 | 0 | 0 | 0 | 109.8 | P89 K93 | P89-D91 PolarHBondContact O-N 3.05Å; P89-D91 VanDerWaalsContact O-N 3.09Å; D91-K93 PolarHBondContact O-N 3.31Å | ||
| 92 | R | 53.1 | Low | 56.2 | Low | 168 Ų | 168 | 107.1 Ų | 107.1 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -6.3 | -170.7 | -151.6 | 168 | 170.4 | -155.7 | -9.9 | 114.1 | R57 R90 | R57-R92 VanDerWaalsContact NH2-NH2 3.15Å; R90-R92 PolarHBondContact O-N 3.1Å |
| 93 | K | 53.7 | Low | 56 | Low | 199 Ų | 199 | 109.6 Ų | 109.6 | 87% | 0.865 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -19.9 | -173.4 | -89 | 179.6 | 175.6 | 175.4 | 0 | 115.6 | D91 | D91-K93 PolarHBondContact O-N 3.31Š|
| 94 | K | 51 | Low | 56 | Low | 179 Ų | 179 | 104.7 Ų | 104.7 | 78% | 0.778 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -32.6 | -169.2 | -83.2 | -179.5 | 175.9 | 176.1 | 0 | 116.1 | ||
| 95 | V | 43.1 | Very low | 56.5 | Low | 89 Ų | 89 | 106.7 Ų | 106.7 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | trans | -144 | 116.6 | -176.6 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | I98 | V95-I98 HydrophobicContact CB-CD1 4.13Å; V95-I98 HydrophobicContact CB-CG1 3.75Å; V95-I98 HydrophobicContact CG1-CG1 3.9Å | ||
| 96 | K | 44.9 | Very low | 56.8 | Low | 199 Ų | 199 | 108 Ų | 108 | 87% | 0.865 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -76.5 | 130.1 | 165.4 | -70.5 | 179 | 179.2 | 177 | 0 | 107.3 | ||
| 97 | N | 49.4 | Very low | 57.5 | Low | 155 Ų | 155 | 104.9 Ų | 104.9 | 83% | 0.829 | 53% | 0.53 | S | S | * | . | trans | 68.6 | 57.1 | -179.7 | -56.2 | -13.4 | 0 | 0 | 0 | 115.6 | K99 | N97-K99 PolarHBondContact O-N 3.33Å; N97-K99 VanDerWaalsContact O-N 3.17Å | ||
| 98 | I | 53.2 | Low | 58.6 | Low | 99 Ų | 99 | 105.3 Ų | 105.3 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | trans | -69.2 | 111.6 | 159.6 | -56.6 | 172.2 | 0 | 0 | 0 | 106.5 | V95 H100 | V95-I98 HydrophobicContact CB-CD1 4.13Å; V95-I98 HydrophobicContact CB-CG1 3.75Å; V95-I98 HydrophobicContact CG1-CG1 3.9Å; I98-H100 PolarHBondContact O-CE1 3.02Å; I98-H100 PolarHBondContact O-N 3.43Å; I98-H100 PolarHBondContact O-ND1 3.16Å | ||
| 99 | K | 54.2 | Low | 59.8 | Low | 178 Ų | 178 | 100.4 Ų | 100.4 | 77% | 0.774 | 50% | 0.5 | S | S | * | . | trans | -65.1 | 123.8 | 167.8 | -67.3 | -179.3 | 178.3 | -178.4 | 0 | 107.1 | N97 S101 | N97-K99 PolarHBondContact O-N 3.33Å; N97-K99 VanDerWaalsContact O-N 3.17Å; K99-S101 PolarHBondContact O-N 2.97Å | ||
| 100 | H | 56.1 | Low | 61 | Low | 15 Ų | 15 | 96.6 Ų | 96.6 | 7% | 0.069 | 48% | 0.475 | C | S | . | . | trans | -81.2 | 103.5 | 179.4 | -59.5 | 12.7 | 0 | 0 | 0 | 104.9 | E87 R90 I98 V139 G140 | E87-H100 WeakPolarHBondContact OE1-CA 3.47Å; E87-H100 WeakPolarHBondContact OE1-CB 3.41Å; E87-H100 VanDerWaalsContact OE2-CB 3.28Å; E87-H100 WeakPolarHBondContact OE2-CB 3.41Å; E87-H100 IonicContact OE2-CD2 3.9Å; E87-H100 PolarHBondContact OE2-CD2 3.08Å; E87-H100 IonicContact OE2-CG 3.99Å; E87-H100 IonicContact OE2-ND1 3.16Å; E87-H100 IonicContact OE2-NE2 3.3Å; R90-H100 PolarHBondContact NH2-CE1 3.29Å; R90-H100 VanDerWaalsContact NH2-CE1 3.32Å; R90-H100 PolarHBondContact NH2-NE2 3.36Å; I98-H100 PolarHBondContact O-CE1 3.02Å; I98-H100 PolarHBondContact O-N 3.43Å; I98-H100 PolarHBondContact O-ND1 3.16Å; H100-V139 HydrophobicContact CB-CG1 4.08Å; H100-V139 WeakPolarHBondContact CB-O 3.39Å; H100-G140 CarbonylContact O-C 3.53Å; H100-G140 WeakPolarHBondContact O-CA 3.36Å | ||
| 101 | S | 55.3 | Low | 62.2 | Low | 100 Ų | 100 | 93.7 Ų | 93.7 | 70% | 0.699 | 47% | 0.472 | S | S | * | . | trans | -98.4 | 31.7 | -178.7 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | K99 | K99-S101 PolarHBondContact O-N 2.97Š| ||
| 102 | G | 62.7 | Low | 63.7 | Low | 13 Ų | 13 | 88.9 Ų | 88.9 | 13% | 0.134 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 141.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E87 C141 T142 | E87-G102 PolarHBondContact OE1-N 3.27Å; G102-C141 VanDerWaalsContact O-CA 3.29Å; G102-C141 WeakPolarHBondContact O-CA 2.88Å; G102-T142 PolarHBondContact O-N 3.32Å; G102-T142 VanDerWaalsContact O-N 3.08Å |
| 103 | S | 66.9 | Low | 64.8 | Low | 75 Ų | 75 | 80.9 Ų | 80.9 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.1 | 171.8 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | T142 | S103-T142 CarbonylContact C-O 3.57Å; S103-T142 VanDerWaalsContact CA-O 3.25Å; S103-T142 WeakPolarHBondContact CA-O 3.43Å; S103-T142 PolarHBondContact OG-OG1 3.04Å |
| 104 | V | 71.4 | Confident | 65.9 | Low | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.03 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141.2 | 172.8 | -170.3 | 0 | 0 | 0 | 0 | 108 | I81 A84 L85 E108 I109 C141 T142 I143 D144 | I81-V104 HydrophobicContact CG2-CG2 4.35Å; A84-V104 HydrophobicContact CB-CG1 4.32Å; L85-V104 HydrophobicContact CD2-CB 4.46Å; L85-V104 HydrophobicContact CD2-CG2 3.3Å; L85-V104 HydrophobicContact CG-CG2 3.72Å; V104-E108 HydrophobicContact CG1-CB 3.74Å; V104-E108 WeakPolarHBondContact CG1-OE2 3.36Å; V104-I109 HydrophobicContact CB-CD1 4.46Å; V104-I109 HydrophobicContact CB-CG1 4.4Å; V104-I109 HydrophobicContact CG1-CD1 4.34Å; V104-I109 HydrophobicContact CG1-CG1 3.78Å; V104-C141 HydrophobicContact CG2-CB 4.08Å; V104-T142 PolarHBondContact N-O 3.22Å; V104-I143 WeakPolarHBondContact O-CA 3.21Å; V104-D144 PolarHBondContact O-N 3.15Å |
| 105 | T | 78.4 | Confident | 67.2 | Low | 64 Ų | 64 | 71.9 Ų | 71.9 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 151.6 | 171.9 | 58 | 0 | 0 | 0 | 0 | 110.6 | D107 E108 I109 | T105-D107 PolarHBondContact O-N 3.4Å; T105-E108 PolarHBondContact O-N 2.92Å; T105-E108 WeakPolarHBondContact OG1-CG 3.29Å; T105-I109 PolarHBondContact O-N 3.21Å |
| 106 | F | 71.9 | Confident | 68.6 | Low | 47 Ų | 47 | 68.7 Ų | 68.7 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58 | -33.1 | 178.1 | -170 | -101.7 | 0 | 0 | 0 | 113.1 | E108 I109 V110 I129 D144 V151 I155 V160 | F106-E108 PolarHBondContact O-N 3Å; F106-I109 WeakPolarHBondContact O-CB 3.48Å; F106-I109 PolarHBondContact O-N 2.83Å; F106-V110 HydrophobicContact CD1-CG2 3.92Å; F106-V110 HydrophobicContact CE1-CG2 3.52Å; F106-V110 HydrophobicContact CZ-CG2 4.01Å; F106-V110 WeakPolarHBondContact O-CG2 3.21Å; F106-V110 PolarHBondContact O-N 2.94Å; F106-I129 HydrophobicContact CE2-CG2 4.28Å; F106-I129 HydrophobicContact CZ-CG2 4.33Å; F106-D144 PolarHBondContact N-OD2 2.83Å; F106-V151 HydrophobicContact CD2-CG1 4.37Å; F106-V151 HydrophobicContact CE2-CG1 4.29Å; F106-I155 HydrophobicContact CE2-CD1 4.14Å; F106-V160 HydrophobicContact CD1-CG1 4.22Å; F106-V160 HydrophobicContact CE1-CG1 3.4Å; F106-V160 VanDerWaalsContact CE1-CG1 3.4Å; F106-V160 HydrophobicContact CE2-CG1 3.85Å; F106-V160 HydrophobicContact CZ-CG1 3.2Å |
| 107 | D | 77.9 | Confident | 69.7 | Low | 115 Ų | 115 | 64.4 Ų | 64.4 | 62% | 0.615 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.2 | -38.5 | 179.1 | -167.3 | -100.3 | 0 | 0 | 0 | 113.3 | T105 I109 V110 T111 | T105-D107 PolarHBondContact O-N 3.4Å; D107-I109 VanDerWaalsContact C-N 3.3Å; D107-I109 PolarHBondContact O-N 2.95Å; D107-V110 PolarHBondContact O-N 3.34Å; D107-T111 PolarHBondContact O-N 2.94Å; D107-T111 PolarHBondContact O-OG1 2.9Å |
| 108 | E | 77.8 | Confident | 70.8 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 174.3 | -74.1 | -179.4 | 162.1 | 0 | 0 | 111.1 | A84 V104 T105 F106 T111 V112 | A84-E108 HydrophobicContact CB-CB 4.34Å; V104-E108 HydrophobicContact CG1-CB 3.74Å; V104-E108 WeakPolarHBondContact CG1-OE2 3.36Å; T105-E108 PolarHBondContact O-N 2.92Å; T105-E108 WeakPolarHBondContact OG1-CG 3.29Å; F106-E108 PolarHBondContact O-N 3Å; E108-T111 PolarHBondContact O-N 3.08Å; E108-V112 VanDerWaalsContact O-CG2 3.25Å; E108-V112 WeakPolarHBondContact O-CG2 3.12Å; E108-V112 PolarHBondContact O-N 3.47Å |
| 109 | I | 77.4 | Confident | 71.5 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 176.4 | -62.7 | 172.4 | 0 | 0 | 0 | 110.8 | V104 T105 F106 D107 T111 V112 A113 I129 I132 L133 I143 | V104-I109 HydrophobicContact CB-CD1 4.46Å; V104-I109 HydrophobicContact CB-CG1 4.4Å; V104-I109 HydrophobicContact CG1-CD1 4.34Å; V104-I109 HydrophobicContact CG1-CG1 3.78Å; T105-I109 PolarHBondContact O-N 3.21Å; F106-I109 WeakPolarHBondContact O-CB 3.48Å; F106-I109 PolarHBondContact O-N 2.83Å; D107-I109 VanDerWaalsContact C-N 3.3Å; D107-I109 PolarHBondContact O-N 2.95Å; I109-T111 VanDerWaalsContact C-N 3.33Å; I109-V112 PolarHBondContact O-N 3.17Å; I109-A113 WeakPolarHBondContact O-CB 3.4Å; I109-A113 PolarHBondContact O-N 3.3Å; I109-I129 HydrophobicContact CG2-CG2 4.31Å; I109-I132 HydrophobicContact CG2-CG2 3.89Å; I109-L133 HydrophobicContact CD1-CD2 3.89Å; I109-L133 HydrophobicContact CG2-CD2 4.18Å; I109-I143 HydrophobicContact CD1-CB 4.32Å; I109-I143 HydrophobicContact CD1-CD1 3.47Å; I109-I143 VanDerWaalsContact CD1-CD1 3.47Å; I109-I143 HydrophobicContact CD1-CG1 3.64Å; I109-I143 HydrophobicContact CD1-CG2 3.76Å |
| 110 | V | 79.5 | Confident | 72.2 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 175.6 | 175 | 0 | 0 | 0 | 0 | 110.7 | F106 D107 A113 R114 I129 P163 | F106-V110 HydrophobicContact CD1-CG2 3.92Å; F106-V110 HydrophobicContact CE1-CG2 3.52Å; F106-V110 HydrophobicContact CZ-CG2 4.01Å; F106-V110 WeakPolarHBondContact O-CG2 3.21Å; F106-V110 PolarHBondContact O-N 2.94Å; D107-V110 PolarHBondContact O-N 3.34Å; V110-A113 WeakPolarHBondContact O-CB 3.39Å; V110-A113 PolarHBondContact O-N 3.39Å; V110-R114 WeakPolarHBondContact O-CG 3.48Å; V110-R114 PolarHBondContact O-N 3.3Å; V110-I129 HydrophobicContact CG2-CD1 4.31Å; V110-P163 HydrophobicContact CG1-CG 3.84Å |
| 111 | T | 80.8 | Confident | 73 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | D107 E108 I109 A113 R114 T115 | D107-T111 PolarHBondContact O-N 2.94Å; D107-T111 PolarHBondContact O-OG1 2.9Å; E108-T111 PolarHBondContact O-N 3.08Å; I109-T111 VanDerWaalsContact C-N 3.33Å; T111-A113 VanDerWaalsContact C-N 3.33Å; T111-A113 PolarHBondContact O-N 3.3Å; T111-R114 PolarHBondContact O-N 2.9Å; T111-T115 WeakPolarHBondContact O-CG2 3.27Å; T111-T115 PolarHBondContact O-N 3.17Å; T111-T115 VanDerWaalsContact O-N 3.13Å |
| 112 | V | 79.3 | Confident | 73.5 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 173.8 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | L80 E108 I109 R114 T115 M116 I132 | L80-V112 HydrophobicContact CB-CG1 3.7Å; L80-V112 HydrophobicContact CB-CG2 4.03Å; L80-V112 HydrophobicContact CD1-CG1 4.03Å; L80-V112 HydrophobicContact CG-CG1 4.47Å; E108-V112 VanDerWaalsContact O-CG2 3.25Å; E108-V112 WeakPolarHBondContact O-CG2 3.12Å; E108-V112 PolarHBondContact O-N 3.47Å; I109-V112 PolarHBondContact O-N 3.17Å; V112-R114 PolarHBondContact O-N 3.44Å; V112-T115 PolarHBondContact O-N 3.43Å; V112-T115 PolarHBondContact O-OG1 3.06Å; V112-M116 HydrophobicContact CG1-CG 4.38Å; V112-M116 HydrophobicContact CG1-SD 4.3Å; V112-M116 WeakPolarHBondContact O-CG 3.43Å; V112-M116 PolarHBondContact O-N 3.13Å; V112-I132 HydrophobicContact CG1-CD1 4.04Å; V112-I132 HydrophobicContact CG1-CG2 4.22Å |
| 113 | A | 76.2 | Confident | 73.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | I109 V110 T111 T115 M116 R117 T128 I129 I132 | I109-A113 WeakPolarHBondContact O-CB 3.4Å; I109-A113 PolarHBondContact O-N 3.3Å; V110-A113 WeakPolarHBondContact O-CB 3.39Å; V110-A113 PolarHBondContact O-N 3.39Å; T111-A113 VanDerWaalsContact C-N 3.33Å; T111-A113 PolarHBondContact O-N 3.3Å; A113-T115 PolarHBondContact O-N 3.3Å; A113-M116 CarbonylContact O-C 3.53Å; A113-M116 PolarHBondContact O-N 3.39Å; A113-M116 VanDerWaalsContact O-N 3.17Å; A113-R117 PolarHBondContact O-N 3.23Å; A113-T128 HydrophobicContact CB-CG2 4.06Å; A113-I129 HydrophobicContact CB-CG1 3.7Å; A113-I132 HydrophobicContact CB-CD1 3.54Å |
| 114 | R | 77.7 | Confident | 74.1 | Confident | 116 Ų | 116 | 73.9 Ų | 73.9 | 44% | 0.438 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.6 | -73.8 | 174.2 | 166.7 | -179.8 | -5 | 112.4 | V110 T111 V112 M116 R117 L125 E165 | V110-R114 WeakPolarHBondContact O-CG 3.48Å; V110-R114 PolarHBondContact O-N 3.3Å; T111-R114 PolarHBondContact O-N 2.9Å; V112-R114 PolarHBondContact O-N 3.44Å; R114-M116 VanDerWaalsContact C-N 3.26Å; R114-M116 PolarHBondContact O-N 3Å; R114-R117 WeakPolarHBondContact O-CB 3.28Å; R114-R117 PolarHBondContact O-N 2.83Å; R114-L125 HydrophobicContact CG-CD2 4.46Å; R114-E165 VanDerWaalsContact CZ-O 3.31Å; R114-E165 PolarHBondContact NE-O 2.96Å; R114-E165 PolarHBondContact NH2-O 3.44Å |
| 115 | T | 76.7 | Confident | 74 | Confident | 73 Ų | 73 | 74 Ų | 74 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.2 | -24.9 | 177.6 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | T111 V112 A113 | T111-T115 WeakPolarHBondContact O-CG2 3.27Å; T111-T115 PolarHBondContact O-N 3.17Å; T111-T115 VanDerWaalsContact O-N 3.13Å; V112-T115 PolarHBondContact O-N 3.43Å; V112-T115 PolarHBondContact O-OG1 3.06Å; A113-T115 PolarHBondContact O-N 3.3Å |
| 116 | M | 73.3 | Confident | 73.7 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -92.8 | -14.7 | 177.6 | -64.8 | -159.8 | 103 | 0 | 0 | 114.1 | A77 L80 V112 A113 R114 P118 R119 S120 I132 | A77-M116 WeakPolarHBondContact CA-SD 3.49Å; A77-M116 HydrophobicContact CB-CE 3.55Å; A77-M116 HydrophobicContact CB-SD 3.41Å; A77-M116 WeakPolarHBondContact CB-SD 3.44Å; L80-M116 HydrophobicContact CD1-CE 4.37Å; L80-M116 HydrophobicContact CD1-CG 3.83Å; L80-M116 HydrophobicContact CD1-SD 4.16Å; V112-M116 HydrophobicContact CG1-CG 4.38Å; V112-M116 HydrophobicContact CG1-SD 4.3Å; V112-M116 WeakPolarHBondContact O-CG 3.43Å; V112-M116 PolarHBondContact O-N 3.13Å; A113-M116 CarbonylContact O-C 3.53Å; A113-M116 PolarHBondContact O-N 3.39Å; A113-M116 VanDerWaalsContact O-N 3.17Å; R114-M116 VanDerWaalsContact C-N 3.26Å; R114-M116 PolarHBondContact O-N 3Å; M116-P118 VanDerWaalsContact C-N 3.34Å; M116-R119 WeakPolarHBondContact O-CA 3.32Å; M116-R119 PolarHBondContact O-N 2.94Å; M116-S120 PolarHBondContact O-N 3.29Å; M116-I132 HydrophobicContact CB-CD1 4.35Å; M116-I132 HydrophobicContact SD-CD1 4.24Å; M116-I132 HydrophobicContact SD-CG1 4.23Å |
| 117 | R | 68.3 | Low | 74 | Confident | 109 Ų | 109 | 71 Ų | 71 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -44.1 | 176.4 | -162 | 177.7 | -172 | -165.9 | 0.3 | 114.7 | A113 R114 R119 S120 L125 E165 | A113-R117 PolarHBondContact O-N 3.23Å; R114-R117 WeakPolarHBondContact O-CB 3.28Å; R114-R117 PolarHBondContact O-N 2.83Å; R117-R119 PolarHBondContact O-N 3.36Å; R117-R119 VanDerWaalsContact O-N 3.11Å; R117-S120 PolarHBondContact O-N 3.1Å; R117-L125 VanDerWaalsContact CZ-CD1 3.5Å; R117-E165 PolarHBondContact NH1-OXT 3.15Å |
| 118 | P | 72.6 | Confident | 73.9 | Confident | 112 Ų | 112 | 65.6 Ų | 65.6 | 73% | 0.727 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -9.3 | 179.1 | 26 | -35.3 | 0 | 0 | 0 | 114.6 | M116 | M116-P118 VanDerWaalsContact C-N 3.34Š|
| 119 | R | 67.8 | Low | 73.9 | Confident | 106 Ų | 106 | 62.6 Ų | 62.6 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -17 | 178.8 | -71.3 | -178 | -68.4 | 164.5 | 6.9 | 113.7 | P75 M116 R117 | P75-R119 PolarHBondContact O-NH1 3.47Å; P75-R119 PolarHBondContact O-NH2 3.33Å; M116-R119 WeakPolarHBondContact O-CA 3.32Å; M116-R119 PolarHBondContact O-N 2.94Å; R117-R119 PolarHBondContact O-N 3.36Å; R117-R119 VanDerWaalsContact O-N 3.11Å |
| 120 | S | 68.1 | Low | 73.9 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 22% | 0.217 | 32% | 0.324 | C | S | . | . | trans | -74.6 | 136.4 | 173.1 | -82.2 | 0 | 0 | 0 | 0 | 110.3 | M116 R117 T128 E131 | M116-S120 PolarHBondContact O-N 3.29Å; R117-S120 PolarHBondContact O-N 3.1Å; S120-T128 WeakPolarHBondContact OG-CG2 3.39Å; S120-E131 PolarHBondContact OG-OE2 2.96Å | ||
| 121 | I | 72.6 | Confident | 74 | Confident | 164 Ų | 164 | 69.5 Ų | 69.5 | 84% | 0.841 | 34% | 0.342 | S | S | * | . | trans | -86.9 | 2.1 | 176.1 | -54.8 | 167.6 | 0 | 0 | 0 | 110.2 | ||||
| 122 | A | 66.8 | Low | 74 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 28% | 0.281 | 32% | 0.322 | S | S | . | . | trans | -62.6 | 135.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E124 | A122-E124 VanDerWaalsContact C-N 3.28Å; A122-E124 PolarHBondContact O-N 2.83Å | ||
| 123 | R | 67.9 | Low | 74 | Confident | 253 Ų | 253 | 65.7 Ų | 65.7 | 96% | 0.955 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -68.7 | -28.7 | 176.6 | -69.7 | -177.2 | 175.6 | -173 | -1.5 | 112.6 | ||
| 124 | E | 74 | Confident | 74.2 | Confident | 134 Ų | 134 | 67 Ų | 67 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -131.8 | 150.7 | -175.3 | -62.5 | -177.6 | 146.3 | 0 | 0 | 110.5 | A122 S126 G127 T128 | A122-E124 VanDerWaalsContact C-N 3.28Å; A122-E124 PolarHBondContact O-N 2.83Å; E124-S126 VanDerWaalsContact CB-OG 3.23Å; E124-S126 WeakPolarHBondContact CB-OG 3.33Å; E124-S126 PolarHBondContact O-N 3.25Å; E124-S126 PolarHBondContact OE2-OG 3.03Å; E124-G127 WeakPolarHBondContact O-CA 3.43Å; E124-G127 PolarHBondContact O-N 3.16Å; E124-T128 PolarHBondContact O-N 3.14Å |
| 125 | L | 69.3 | Low | 74.2 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -30.5 | 174.1 | -90.5 | 144.3 | 0 | 0 | 0 | 113 | R114 R117 G127 T128 I129 E165 | R114-L125 HydrophobicContact CG-CD2 4.46Å; R117-L125 VanDerWaalsContact CZ-CD1 3.5Å; L125-G127 PolarHBondContact O-N 3.21Å; L125-T128 PolarHBondContact O-N 2.97Å; L125-T128 VanDerWaalsContact O-N 3.16Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 3.08Å; L125-E165 VanDerWaalsContact CD1-N 3.27Å; L125-E165 WeakPolarHBondContact CD1-OXT 3.39Å |
| 126 | S | 71.8 | Confident | 74.1 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.5 | -38.9 | 171.1 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | E124 K130 | E124-S126 VanDerWaalsContact CB-OG 3.23Å; E124-S126 WeakPolarHBondContact CB-OG 3.33Å; E124-S126 PolarHBondContact O-N 3.25Å; E124-S126 PolarHBondContact OE2-OG 3.03Å; S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.11Å; S126-K130 PolarHBondContact O-N 3.4Å |
| 127 | G | 77.5 | Confident | 74.3 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E124 L125 I129 K130 E131 | E124-G127 WeakPolarHBondContact O-CA 3.43Å; E124-G127 PolarHBondContact O-N 3.16Å; L125-G127 PolarHBondContact O-N 3.21Å; G127-I129 VanDerWaalsContact C-N 3.33Å; G127-I129 PolarHBondContact O-N 3.15Å; G127-K130 PolarHBondContact O-N 3.13Å; G127-E131 WeakPolarHBondContact O-CG 3.29Å; G127-E131 PolarHBondContact O-N 3.18Å |
| 128 | T | 76.2 | Confident | 74.5 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 178 | -54.1 | 0 | 0 | 0 | 0 | 112.4 | A113 S120 E124 L125 E131 I132 | A113-T128 HydrophobicContact CB-CG2 4.06Å; S120-T128 WeakPolarHBondContact OG-CG2 3.39Å; E124-T128 PolarHBondContact O-N 3.14Å; L125-T128 PolarHBondContact O-N 2.97Å; L125-T128 VanDerWaalsContact O-N 3.16Å; T128-E131 PolarHBondContact O-N 2.95Å; T128-I132 HydrophobicContact CG2-CD1 4.03Å; T128-I132 WeakPolarHBondContact O-CD1 3.43Å; T128-I132 WeakPolarHBondContact O-CG1 3.33Å; T128-I132 PolarHBondContact O-N 3.17Å |
| 129 | I | 77.6 | Confident | 74.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 174.9 | -67.4 | 164.3 | 0 | 0 | 0 | 109.6 | F106 I109 V110 A113 L125 G127 E131 I132 L133 I155 C162 | F106-I129 HydrophobicContact CE2-CG2 4.28Å; F106-I129 HydrophobicContact CZ-CG2 4.33Å; I109-I129 HydrophobicContact CG2-CG2 4.31Å; V110-I129 HydrophobicContact CG2-CD1 4.31Å; A113-I129 HydrophobicContact CB-CG1 3.7Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 3.08Å; G127-I129 VanDerWaalsContact C-N 3.33Å; G127-I129 PolarHBondContact O-N 3.15Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 PolarHBondContact O-N 3.07Å; I129-I132 PolarHBondContact O-N 2.88Å; I129-I132 VanDerWaalsContact O-N 3.1Å; I129-L133 HydrophobicContact CG2-CD1 3.83Å; I129-L133 HydrophobicContact CG2-CG 4.19Å; I129-L133 WeakPolarHBondContact O-CG 3.48Å; I129-L133 PolarHBondContact O-N 2.84Å; I129-I155 HydrophobicContact CG2-CD1 3.93Å; I129-C162 HydrophobicContact CD1-CB 4.13Å |
| 130 | K | 78.9 | Confident | 74.4 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 175.9 | -70.3 | 172.2 | -167.7 | 179 | 0 | 113.1 | S126 G127 I132 L133 G134 I155 N156 | S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.11Å; S126-K130 PolarHBondContact O-N 3.4Å; G127-K130 PolarHBondContact O-N 3.13Å; K130-I132 VanDerWaalsContact C-N 3.31Å; K130-I132 PolarHBondContact O-N 2.92Å; K130-L133 PolarHBondContact O-N 2.87Å; K130-G134 PolarHBondContact O-N 2.85Å; K130-I155 VanDerWaalsContact CE-CG2 3.42Å; K130-I155 HydrophobicContact CG-CG2 4.34Å; K130-N156 VanDerWaalsContact CE-OD1 3.31Å; K130-N156 WeakPolarHBondContact CE-OD1 3.33Å; K130-N156 PolarHBondContact NZ-OD1 3.32Å |
| 131 | E | 81 | Confident | 74.5 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.4 | -69.8 | -178.7 | 118.9 | 0 | 0 | 111.1 | S120 G127 T128 I129 G134 T135 | S120-E131 PolarHBondContact OG-OE2 2.96Å; G127-E131 WeakPolarHBondContact O-CG 3.29Å; G127-E131 PolarHBondContact O-N 3.18Å; T128-E131 PolarHBondContact O-N 2.95Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 PolarHBondContact O-N 3.07Å; E131-G134 PolarHBondContact O-N 3.16Å; E131-T135 PolarHBondContact O-N 2.83Å |
| 132 | I | 80.4 | Confident | 74.4 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.2 | -39.8 | -179.4 | -69.7 | 164.2 | 0 | 0 | 0 | 111.2 | I81 I109 V112 A113 M116 T128 I129 K130 G134 T135 A136 | I81-I132 HydrophobicContact CD1-CG2 4.06Å; I81-I132 HydrophobicContact CG1-CG2 4.32Å; I109-I132 HydrophobicContact CG2-CG2 3.89Å; V112-I132 HydrophobicContact CG1-CD1 4.04Å; V112-I132 HydrophobicContact CG1-CG2 4.22Å; A113-I132 HydrophobicContact CB-CD1 3.54Å; M116-I132 HydrophobicContact CB-CD1 4.35Å; M116-I132 HydrophobicContact SD-CD1 4.24Å; M116-I132 HydrophobicContact SD-CG1 4.23Å; T128-I132 HydrophobicContact CG2-CD1 4.03Å; T128-I132 WeakPolarHBondContact O-CD1 3.43Å; T128-I132 WeakPolarHBondContact O-CG1 3.33Å; T128-I132 PolarHBondContact O-N 3.17Å; I129-I132 PolarHBondContact O-N 2.88Å; I129-I132 VanDerWaalsContact O-N 3.1Å; K130-I132 VanDerWaalsContact C-N 3.31Å; K130-I132 PolarHBondContact O-N 2.92Å; I132-G134 VanDerWaalsContact C-N 3.32Å; I132-G134 PolarHBondContact O-N 2.87Å; I132-T135 WeakPolarHBondContact CA-OG1 3.34Å; I132-T135 CarbonylContact O-C 3.59Å; I132-T135 PolarHBondContact O-N 2.81Å; I132-T135 VanDerWaalsContact O-N 3.1Å; I132-T135 PolarHBondContact O-OG1 2.96Å; I132-A136 PolarHBondContact O-N 3.45Å |
| 133 | L | 79.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 173.1 | -66.6 | 171.2 | 0 | 0 | 0 | 112 | I109 I129 K130 T135 A136 Q137 I143 V151 I152 I155 | I109-L133 HydrophobicContact CD1-CD2 3.89Å; I109-L133 HydrophobicContact CG2-CD2 4.18Å; I129-L133 HydrophobicContact CG2-CD1 3.83Å; I129-L133 HydrophobicContact CG2-CG 4.19Å; I129-L133 WeakPolarHBondContact O-CG 3.48Å; I129-L133 PolarHBondContact O-N 2.84Å; K130-L133 PolarHBondContact O-N 2.87Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 3.47Å; L133-A136 WeakPolarHBondContact O-CB 3.44Å; L133-A136 PolarHBondContact O-N 3.24Å; L133-Q137 PolarHBondContact O-N 3.28Å; L133-I143 HydrophobicContact CD2-CD1 2.98Å; L133-I143 HydrophobicContact CD2-CG1 4.42Å; L133-I143 HydrophobicContact CG-CD1 4.41Å; L133-V151 HydrophobicContact CD1-CG1 4.07Å; L133-V151 HydrophobicContact CD2-CG1 4.06Å; L133-I152 HydrophobicContact CB-CD1 4.13Å; L133-I152 HydrophobicContact CB-CG1 3.92Å; L133-I152 HydrophobicContact CD1-CG1 3.92Å; L133-I155 HydrophobicContact CD1-CD1 3.23Å |
| 134 | G | 80.4 | Confident | 74.5 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K130 E131 I132 S138 | K130-G134 PolarHBondContact O-N 2.85Å; E131-G134 PolarHBondContact O-N 3.16Å; I132-G134 VanDerWaalsContact C-N 3.32Å; I132-G134 PolarHBondContact O-N 2.87Å; G134-S138 PolarHBondContact O-N 2.96Å; G134-S138 PolarHBondContact O-OG 2.8Å |
| 135 | T | 78.3 | Confident | 74.2 | Confident | 39 Ų | 39 | 38 Ų | 38 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.7 | -32.7 | 174 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | A77 I81 E131 I132 L133 S138 V139 | A77-T135 HydrophobicContact CB-CG2 4.11Å; I81-T135 WeakPolarHBondContact CD1-OG1 3.48Å; E131-T135 PolarHBondContact O-N 2.83Å; I132-T135 WeakPolarHBondContact CA-OG1 3.34Å; I132-T135 CarbonylContact O-C 3.59Å; I132-T135 PolarHBondContact O-N 2.81Å; I132-T135 VanDerWaalsContact O-N 3.1Å; I132-T135 PolarHBondContact O-OG1 2.96Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 3.47Å; T135-S138 WeakPolarHBondContact O-CB 3.3Å; T135-S138 PolarHBondContact O-N 2.92Å; T135-V139 WeakPolarHBondContact O-CG2 3.29Å; T135-V139 PolarHBondContact O-N 3.18Å; T135-V139 VanDerWaalsContact O-N 3.13Å |
| 136 | A | 74.5 | Confident | 74.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I81 I132 L133 S138 V139 G140 C141 | I81-A136 HydrophobicContact CD1-CB 4.16Å; I132-A136 PolarHBondContact O-N 3.45Å; L133-A136 WeakPolarHBondContact O-CB 3.44Å; L133-A136 PolarHBondContact O-N 3.24Å; A136-S138 VanDerWaalsContact C-N 3.31Å; A136-S138 PolarHBondContact O-N 2.94Å; A136-V139 PolarHBondContact O-N 2.92Å; A136-V139 VanDerWaalsContact O-N 3.15Å; A136-G140 PolarHBondContact O-N 2.61Å; A136-C141 HydrophobicContact CB-CB 4.21Å; A136-C141 PolarHBondContact O-N 2.77Å |
| 137 | Q | 77.3 | Confident | 74.4 | Confident | 110 Ų | 110 | 45.8 Ų | 45.8 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 172.1 | -172.1 | 177.6 | 2.7 | 0 | 0 | 112.4 | L133 V139 G140 P148 | L133-Q137 PolarHBondContact O-N 3.28Å; Q137-V139 VanDerWaalsContact C-N 3.25Å; Q137-V139 PolarHBondContact O-N 3Å; Q137-G140 PolarHBondContact O-N 3.29Å; Q137-G140 VanDerWaalsContact O-N 3.15Å; Q137-P148 HydrophobicContact CB-CB 4.27Å; Q137-P148 HydrophobicContact CB-CG 3.56Å; Q137-P148 HydrophobicContact CG-CG 3.85Å |
| 138 | S | 71.6 | Confident | 74.2 | Confident | 110 Ų | 110 | 45.3 Ų | 45.3 | 77% | 0.769 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.3 | -27.3 | 178.9 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | G134 T135 A136 | G134-S138 PolarHBondContact O-N 2.96Å; G134-S138 PolarHBondContact O-OG 2.8Å; T135-S138 WeakPolarHBondContact O-CB 3.3Å; T135-S138 PolarHBondContact O-N 2.92Å; A136-S138 VanDerWaalsContact C-N 3.31Å; A136-S138 PolarHBondContact O-N 2.94Å |
| 139 | V | 71.5 | Confident | 74.1 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -79.9 | -29.5 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | I82 L85 H100 T135 A136 Q137 C141 | I82-V139 HydrophobicContact CD1-CG1 4.39Å; I82-V139 HydrophobicContact CG1-CG1 3.93Å; L85-V139 HydrophobicContact CD1-CG1 4.41Å; H100-V139 HydrophobicContact CB-CG1 4.08Å; H100-V139 WeakPolarHBondContact CB-O 3.39Å; T135-V139 WeakPolarHBondContact O-CG2 3.29Å; T135-V139 PolarHBondContact O-N 3.18Å; T135-V139 VanDerWaalsContact O-N 3.13Å; A136-V139 PolarHBondContact O-N 2.92Å; A136-V139 VanDerWaalsContact O-N 3.15Å; Q137-V139 VanDerWaalsContact C-N 3.25Å; Q137-V139 PolarHBondContact O-N 3Å; V139-C141 VanDerWaalsContact CG1-SG 3.55Å |
| 140 | G | 68.2 | Low | 74 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 37% | 0.371 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.6 | 8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | H100 A136 Q137 | H100-G140 CarbonylContact O-C 3.53Å; H100-G140 WeakPolarHBondContact O-CA 3.36Å; A136-G140 PolarHBondContact O-N 2.61Å; Q137-G140 PolarHBondContact O-N 3.29Å; Q137-G140 VanDerWaalsContact O-N 3.15Å |
| 141 | C | 69.6 | Low | 73.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | trans | -71.4 | 140.1 | -175.8 | -45.9 | 0 | 0 | 0 | 0 | 111.7 | I81 L85 G102 V104 A136 V139 | I81-C141 VanDerWaalsContact CG2-SG 3.51Å; L85-C141 HydrophobicContact CD1-CB 4.43Å; L85-C141 WeakPolarHBondContact CD1-SG 3.45Å; G102-C141 VanDerWaalsContact O-CA 3.29Å; G102-C141 WeakPolarHBondContact O-CA 2.88Å; V104-C141 HydrophobicContact CG2-CB 4.08Å; A136-C141 HydrophobicContact CB-CB 4.21Å; A136-C141 PolarHBondContact O-N 2.77Å; V139-C141 VanDerWaalsContact CG1-SG 3.55Å | ||
| 142 | T | 70.8 | Confident | 73.6 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 158.6 | 163.9 | 47.3 | 0 | 0 | 0 | 0 | 109.9 | G102 S103 V104 | G102-T142 PolarHBondContact O-N 3.32Å; G102-T142 VanDerWaalsContact O-N 3.08Å; S103-T142 CarbonylContact C-O 3.57Å; S103-T142 VanDerWaalsContact CA-O 3.25Å; S103-T142 WeakPolarHBondContact CA-O 3.43Å; S103-T142 PolarHBondContact OG-OG1 3.04Å; V104-T142 PolarHBondContact N-O 3.22Å |
| 143 | I | 69.4 | Low | 73.5 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 112 | -178.3 | -55.7 | 170 | 0 | 0 | 0 | 106.8 | V104 I109 L133 G145 R146 P148 V151 | V104-I143 WeakPolarHBondContact O-CA 3.21Å; I109-I143 HydrophobicContact CD1-CB 4.32Å; I109-I143 HydrophobicContact CD1-CD1 3.47Å; I109-I143 VanDerWaalsContact CD1-CD1 3.47Å; I109-I143 HydrophobicContact CD1-CG1 3.64Å; I109-I143 HydrophobicContact CD1-CG2 3.76Å; L133-I143 HydrophobicContact CD2-CD1 2.98Å; L133-I143 HydrophobicContact CD2-CG1 4.42Å; L133-I143 HydrophobicContact CG-CD1 4.41Å; I143-G145 PolarHBondContact O-N 3.19Å; I143-R146 PolarHBondContact N-O 2.84Å; I143-R146 WeakPolarHBondContact O-CB 3.36Å; I143-R146 PolarHBondContact O-N 3.17Å; I143-P148 HydrophobicContact CD1-CB 4.14Å; I143-V151 HydrophobicContact CB-CG2 4.13Å; I143-V151 HydrophobicContact CD1-CB 4.41Å; I143-V151 HydrophobicContact CD1-CG1 4.39Å; I143-V151 HydrophobicContact CD1-CG2 4.33Å; I143-V151 HydrophobicContact CG2-CG2 4.33Å |
| 144 | D | 67 | Low | 73.3 | Confident | 112 Ų | 112 | 54 Ų | 54 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 37.1 | -173.5 | -83.2 | -86.1 | 0 | 0 | 0 | 112.9 | V104 F106 R146 | V104-D144 PolarHBondContact O-N 3.15Å; F106-D144 PolarHBondContact N-OD2 2.83Å; D144-R146 VanDerWaalsContact C-N 3.25Å; D144-R146 PolarHBondContact O-N 3.09Å |
| 145 | G | 67.1 | Low | 72.9 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 62% | 0.619 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 0.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I143 | I143-G145 PolarHBondContact O-N 3.19Š|
| 146 | R | 71.8 | Confident | 72.6 | Confident | 137 Ų | 137 | 56 Ų | 56 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -94.1 | 150.6 | 173.7 | -63.4 | -173.7 | -174.3 | -175.9 | 3.1 | 111.7 | I143 D144 V151 D154 | I143-R146 PolarHBondContact N-O 2.84Å; I143-R146 WeakPolarHBondContact O-CB 3.36Å; I143-R146 PolarHBondContact O-N 3.17Å; D144-R146 VanDerWaalsContact C-N 3.25Å; D144-R146 PolarHBondContact O-N 3.09Å; R146-V151 HydrophobicContact CB-CG2 4.2Å; R146-D154 IonicContact NH1-OD2 3.16Å; R146-D154 PolarHBondContact NH1-OD2 3.41Å |
| 147 | P | 74.3 | Confident | 72.3 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | trans | -67.3 | 144.7 | 169.9 | 30.2 | -34 | 0 | 0 | 0 | 109.6 | H149 D150 V151 | P147-H149 PolarHBondContact O-N 2.83Å; P147-D150 VanDerWaalsContact CD-OD2 3.32Å; P147-D150 WeakPolarHBondContact CD-OD2 3.06Å; P147-D150 HydrophobicContact CG-CB 4.19Å; P147-D150 WeakPolarHBondContact CG-OD2 3.32Å; P147-D150 PolarHBondContact O-N 2.94Å; P147-D150 VanDerWaalsContact O-N 3.14Å; P147-V151 PolarHBondContact O-N 3.22Å | ||
| 148 | P | 72.4 | Confident | 71.5 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 8% | 0.078 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.8 | -19.7 | -179.3 | 20.2 | -30.2 | 0 | 0 | 0 | 113.4 | Q137 I143 I152 | Q137-P148 HydrophobicContact CB-CB 4.27Å; Q137-P148 HydrophobicContact CB-CG 3.56Å; Q137-P148 HydrophobicContact CG-CG 3.85Å; I143-P148 HydrophobicContact CD1-CB 4.14Å; P148-I152 WeakPolarHBondContact O-CD1 3.39Å; P148-I152 WeakPolarHBondContact O-CG1 3.15Å; P148-I152 PolarHBondContact O-N 2.98Å |
| 149 | H | 75.3 | Confident | 70.6 | Confident | 116 Ų | 116 | 59 Ų | 59 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 174.8 | -155.6 | 62 | 0 | 0 | 0 | 112 | P147 V151 I152 D153 | P147-H149 PolarHBondContact O-N 2.83Å; H149-V151 VanDerWaalsContact C-N 3.27Å; H149-V151 PolarHBondContact O-N 3.25Å; H149-I152 WeakPolarHBondContact O-CB 3.33Å; H149-I152 PolarHBondContact O-N 3.23Å; H149-I152 VanDerWaalsContact O-N 3.09Å; H149-D153 IonicContact CD2-OD2 3.91Å; H149-D153 PolarHBondContact O-N 2.94Å |
| 150 | D | 75.6 | Confident | 69.8 | Low | 79 Ų | 79 | 59.7 Ų | 59.7 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 178.9 | -66 | -19.6 | 0 | 0 | 0 | 111.4 | P147 D153 D154 | P147-D150 VanDerWaalsContact CD-OD2 3.32Å; P147-D150 WeakPolarHBondContact CD-OD2 3.06Å; P147-D150 HydrophobicContact CG-CB 4.19Å; P147-D150 WeakPolarHBondContact CG-OD2 3.32Å; P147-D150 PolarHBondContact O-N 2.94Å; P147-D150 VanDerWaalsContact O-N 3.14Å; D150-D153 PolarHBondContact O-N 3.28Å; D150-D154 WeakPolarHBondContact O-CB 3.43Å; D150-D154 PolarHBondContact O-N 3.16Å |
| 151 | V | 73.9 | Confident | 68.8 | Low | 13 Ų | 13 | 66.7 Ų | 66.7 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 175.6 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | F106 L133 I143 R146 P147 H149 D153 D154 I155 | F106-V151 HydrophobicContact CD2-CG1 4.37Å; F106-V151 HydrophobicContact CE2-CG1 4.29Å; L133-V151 HydrophobicContact CD1-CG1 4.07Å; L133-V151 HydrophobicContact CD2-CG1 4.06Å; I143-V151 HydrophobicContact CB-CG2 4.13Å; I143-V151 HydrophobicContact CD1-CB 4.41Å; I143-V151 HydrophobicContact CD1-CG1 4.39Å; I143-V151 HydrophobicContact CD1-CG2 4.33Å; I143-V151 HydrophobicContact CG2-CG2 4.33Å; R146-V151 HydrophobicContact CB-CG2 4.2Å; P147-V151 PolarHBondContact O-N 3.22Å; H149-V151 VanDerWaalsContact C-N 3.27Å; H149-V151 PolarHBondContact O-N 3.25Å; V151-D153 VanDerWaalsContact C-N 3.34Å; V151-D154 PolarHBondContact O-N 3.37Å; V151-I155 HydrophobicContact CG1-CD1 3.98Å; V151-I155 WeakPolarHBondContact O-CB 3.4Å; V151-I155 VanDerWaalsContact O-CD1 3.31Å; V151-I155 WeakPolarHBondContact O-CD1 3.33Å; V151-I155 WeakPolarHBondContact O-CG1 3.41Å; V151-I155 PolarHBondContact O-N 3.44Å |
| 152 | I | 76.6 | Confident | 67.9 | Low | 33 Ų | 33 | 68.3 Ų | 68.3 | 17% | 0.169 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 173.9 | -69.7 | 161.7 | 0 | 0 | 0 | 110.5 | L133 P148 H149 I155 N156 | L133-I152 HydrophobicContact CB-CD1 4.13Å; L133-I152 HydrophobicContact CB-CG1 3.92Å; L133-I152 HydrophobicContact CD1-CG1 3.92Å; P148-I152 WeakPolarHBondContact O-CD1 3.39Å; P148-I152 WeakPolarHBondContact O-CG1 3.15Å; P148-I152 PolarHBondContact O-N 2.98Å; H149-I152 WeakPolarHBondContact O-CB 3.33Å; H149-I152 PolarHBondContact O-N 3.23Å; H149-I152 VanDerWaalsContact O-N 3.09Å; I152-I155 PolarHBondContact O-N 3.22Å; I152-N156 WeakPolarHBondContact O-CB 3.36Å; I152-N156 PolarHBondContact O-N 3.08Å; I152-N156 PolarHBondContact O-ND2 3.24Å |
| 153 | D | 78.5 | Confident | 67.1 | Low | 80 Ų | 80 | 68.8 Ų | 68.8 | 43% | 0.428 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 175.6 | -82.9 | -61.6 | 0 | 0 | 0 | 113.1 | H149 D150 V151 I155 N156 S157 | H149-D153 IonicContact CD2-OD2 3.91Å; H149-D153 PolarHBondContact O-N 2.94Å; D150-D153 PolarHBondContact O-N 3.28Å; V151-D153 VanDerWaalsContact C-N 3.34Å; D153-I155 VanDerWaalsContact C-N 3.29Å; D153-I155 PolarHBondContact O-N 3.17Å; D153-N156 PolarHBondContact O-N 2.83Å; D153-S157 WeakPolarHBondContact O-CB 3.45Å; D153-S157 PolarHBondContact O-N 2.84Å; D153-S157 PolarHBondContact O-OG 3.12Å |
| 154 | D | 74.8 | Confident | 65.9 | Low | 31 Ų | 31 | 73.8 Ų | 73.8 | 17% | 0.166 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.8 | -33.9 | 171.9 | -88.9 | -47.6 | 0 | 0 | 0 | 111.6 | R146 D150 V151 S157 G158 K159 V160 | R146-D154 IonicContact NH1-OD2 3.16Å; R146-D154 PolarHBondContact NH1-OD2 3.41Å; D150-D154 WeakPolarHBondContact O-CB 3.43Å; D150-D154 PolarHBondContact O-N 3.16Å; V151-D154 PolarHBondContact O-N 3.37Å; D154-S157 VanDerWaalsContact CA-OG 3.3Å; D154-S157 WeakPolarHBondContact CA-OG 3.28Å; D154-S157 PolarHBondContact O-OG 3.19Å; D154-S157 VanDerWaalsContact O-OG 3.09Å; D154-G158 PolarHBondContact O-N 2.94Å; D154-K159 PolarHBondContact O-N 3.33Å; D154-K159 WeakPolarHBondContact OD1-CD 3.2Å; D154-K159 IonicContact OD1-NZ 3.71Å; D154-V160 HydrophobicContact CB-CG2 4.15Å |
| 155 | I | 73.3 | Confident | 64.7 | Low | 12 Ų | 12 | 76.3 Ų | 76.3 | 6% | 0.062 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75 | -38.7 | 173.5 | -66.6 | 162 | 0 | 0 | 0 | 111.6 | F106 I129 K130 L133 V151 I152 D153 S157 G158 V160 | F106-I155 HydrophobicContact CE2-CD1 4.14Å; I129-I155 HydrophobicContact CG2-CD1 3.93Å; K130-I155 VanDerWaalsContact CE-CG2 3.42Å; K130-I155 HydrophobicContact CG-CG2 4.34Å; L133-I155 HydrophobicContact CD1-CD1 3.23Å; V151-I155 HydrophobicContact CG1-CD1 3.98Å; V151-I155 WeakPolarHBondContact O-CB 3.4Å; V151-I155 VanDerWaalsContact O-CD1 3.31Å; V151-I155 WeakPolarHBondContact O-CD1 3.33Å; V151-I155 WeakPolarHBondContact O-CG1 3.41Å; V151-I155 PolarHBondContact O-N 3.44Å; I152-I155 PolarHBondContact O-N 3.22Å; D153-I155 VanDerWaalsContact C-N 3.29Å; D153-I155 PolarHBondContact O-N 3.17Å; I155-S157 VanDerWaalsContact C-N 3.29Å; I155-S157 PolarHBondContact O-N 3.22Å; I155-G158 PolarHBondContact O-N 3.42Å; I155-V160 HydrophobicContact CG1-CB 3.92Å; I155-V160 HydrophobicContact CG1-CG1 4.29Å; I155-V160 HydrophobicContact CG1-CG2 4.35Å |
| 156 | N | 71.9 | Confident | 64.5 | Low | 97 Ų | 97 | 77.2 Ų | 77.2 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | 174.6 | -78.6 | -30.9 | 0 | 0 | 0 | 112.1 | K130 I152 D153 G158 | K130-N156 VanDerWaalsContact CE-OD1 3.31Å; K130-N156 WeakPolarHBondContact CE-OD1 3.33Å; K130-N156 PolarHBondContact NZ-OD1 3.32Å; I152-N156 WeakPolarHBondContact O-CB 3.36Å; I152-N156 PolarHBondContact O-N 3.08Å; I152-N156 PolarHBondContact O-ND2 3.24Å; D153-N156 PolarHBondContact O-N 2.83Å; N156-G158 PolarHBondContact O-N 2.96Å |
| 157 | S | 67.3 | Low | 64.2 | Low | 72 Ų | 72 | 74 Ų | 74 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.4 | 175.7 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | D153 D154 I155 K159 | D153-S157 WeakPolarHBondContact O-CB 3.45Å; D153-S157 PolarHBondContact O-N 2.84Å; D153-S157 PolarHBondContact O-OG 3.12Å; D154-S157 VanDerWaalsContact CA-OG 3.3Å; D154-S157 WeakPolarHBondContact CA-OG 3.28Å; D154-S157 PolarHBondContact O-OG 3.19Å; D154-S157 VanDerWaalsContact O-OG 3.09Å; I155-S157 VanDerWaalsContact C-N 3.29Å; I155-S157 PolarHBondContact O-N 3.22Å; S157-K159 VanDerWaalsContact C-N 3.31Å; S157-K159 PolarHBondContact O-N 2.87Å |
| 158 | G | 60.3 | Low | 63.6 | Low | 58 Ų | 58 | 74.7 Ų | 74.7 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 15.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | D154 I155 N156 V160 | D154-G158 PolarHBondContact O-N 2.94Å; I155-G158 PolarHBondContact O-N 3.42Å; N156-G158 PolarHBondContact O-N 2.96Å; G158-V160 VanDerWaalsContact C-N 3.34Å |
| 159 | K | 53 | Low | 63.1 | Low | 156 Ų | 156 | 78.4 Ų | 78.4 | 68% | 0.678 | 43% | 0.434 | S | S | * | . | trans | -77.8 | -19.9 | 178.5 | -76.9 | 171.3 | 177.4 | 172.2 | 0 | 113.7 | D154 S157 | D154-K159 PolarHBondContact O-N 3.33Å; D154-K159 WeakPolarHBondContact OD1-CD 3.2Å; D154-K159 IonicContact OD1-NZ 3.71Å; S157-K159 VanDerWaalsContact C-N 3.31Å; S157-K159 PolarHBondContact O-N 2.87Å | ||
| 160 | V | 54.3 | Low | 62.3 | Low | 39 Ų | 39 | 76.1 Ų | 76.1 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -108.6 | 108.4 | 178 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | F106 D154 I155 G158 C162 | F106-V160 HydrophobicContact CD1-CG1 4.22Å; F106-V160 HydrophobicContact CE1-CG1 3.4Å; F106-V160 VanDerWaalsContact CE1-CG1 3.4Å; F106-V160 HydrophobicContact CE2-CG1 3.85Å; F106-V160 HydrophobicContact CZ-CG1 3.2Å; D154-V160 HydrophobicContact CB-CG2 4.15Å; I155-V160 HydrophobicContact CG1-CB 3.92Å; I155-V160 HydrophobicContact CG1-CG1 4.29Å; I155-V160 HydrophobicContact CG1-CG2 4.35Å; G158-V160 VanDerWaalsContact C-N 3.34Å; V160-C162 PolarHBondContact O-N 3Å; V160-C162 VanDerWaalsContact O-N 3.08Å |
| 161 | E | 48.7 | Very low | 61.4 | Low | 183 Ų | 183 | 75.9 Ų | 75.9 | 86% | 0.855 | 43% | 0.428 | S | S | * | . | trans | -59.7 | 113.4 | 173.9 | -72.9 | -179.6 | 84.7 | 0 | 0 | 109 | P163 | E161-P163 WeakPolarHBondContact O-CD 3.3Š| ||
| 162 | C | 50.3 | Low | 60.5 | Low | 35 Ų | 35 | 80.4 Ų | 80.4 | 24% | 0.236 | 45% | 0.453 | C | S | . | . | trans | -83.4 | 104 | 170 | -61.9 | 0 | 0 | 0 | 0 | 106.5 | I129 V160 S164 | I129-C162 HydrophobicContact CD1-CB 4.13Å; V160-C162 PolarHBondContact O-N 3Å; V160-C162 VanDerWaalsContact O-N 3.08Å; C162-S164 PolarHBondContact O-N 3.1Å | ||
| 163 | P | 53.4 | Low | 59.3 | Low | 54 Ų | 54 | 84 Ų | 84 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | trans | -57.4 | 127.7 | 177.2 | 22.8 | -32.5 | 0 | 0 | 0 | 109 | V110 E161 E165 | V110-P163 HydrophobicContact CG1-CG 3.84Å; E161-P163 WeakPolarHBondContact O-CD 3.3Å; P163-E165 PolarHBondContact O-N 3.37Å; P163-E165 VanDerWaalsContact O-N 3.08Å | ||
| 164 | S | 44.3 | Very low | 57.7 | Low | 110 Ų | 110 | 84.3 Ų | 84.3 | 77% | 0.769 | 48% | 0.479 | S | S | * | . | trans | -78.6 | 17.7 | -167.1 | 35 | 0 | 0 | 0 | 0 | 115.2 | C162 | C162-S164 PolarHBondContact O-N 3.1Š| ||
| 165 | E | 40.7 | Very low | 56.1 | Low | 165 Ų | 165 | 89.2 Ų | 89.2 | 77% | 0.771 | 51% | 0.507 | S | S | * | . | trans | -126.6 | 0 | 178.3 | -117.2 | -179.9 | 95.6 | 0 | 0 | 114.1 | R114 R117 L125 P163 | R114-E165 VanDerWaalsContact CZ-O 3.31Å; R114-E165 PolarHBondContact NE-O 2.96Å; R114-E165 PolarHBondContact NH2-O 3.44Å; R117-E165 PolarHBondContact NH1-OXT 3.15Å; L125-E165 VanDerWaalsContact CD1-N 3.27Å; L125-E165 WeakPolarHBondContact CD1-OXT 3.39Å; P163-E165 PolarHBondContact O-N 3.37Å; P163-E165 VanDerWaalsContact O-N 3.08Å |
Retrieved 165 of 165 residues in 1032.9 ms
(Link to these results)