| 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 | 42.2 | Very low | 47.3 | Very low | 194 Ų | 194 | 88.6 Ų | 88.6 | 96% | 0.956 | 50% | 0.499 | S | S | * | . | 0 | 121.6 | 0 | -172.2 | -178.2 | -63 | 0 | 0 | 107.7 | G22 | M1-G22 PolarHBondContact N-O 3.49Å; M1-G22 WeakPolarHBondContact O-CA 3.43Å; M1-G22 PolarHBondContact O-N 3.49Å | |||
| 2 | I | 46.7 | Very low | 47.2 | Very low | 59 Ų | 59 | 84.8 Ų | 84.8 | 30% | 0.303 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.9 | -179.5 | -56.7 | 178.5 | 0 | 0 | 0 | 107.7 | T4 V19 R20 V21 L90 | I2-T4 HydrophobicContact CG2-CG2 4.18Å; I2-V19 HydrophobicContact CG2-CG1 4.13Å; I2-R20 CarbonylContact C-O 3.47Å; I2-R20 WeakPolarHBondContact CA-O 3.28Å; I2-R20 WeakPolarHBondContact CG2-O 3.21Å; I2-V21 HydrophobicContact CD1-CG1 4.14Å; I2-V21 HydrophobicContact CD1-CG2 4.42Å; I2-V21 HydrophobicContact CG1-CB 4.44Å; I2-V21 HydrophobicContact CG1-CG1 4.04Å; I2-V21 HydrophobicContact CG1-CG2 4.4Å; I2-V21 HydrophobicContact CG2-CG2 4.19Å; I2-L90 HydrophobicContact CB-CD1 4.22Å; I2-L90 HydrophobicContact CD1-CD1 3.63Å; I2-L90 HydrophobicContact CD1-CD2 4.35Å; I2-L90 HydrophobicContact CG2-CD1 3.93Å |
| 3 | D | 46.9 | Very low | 47.3 | Very low | 99 Ų | 99 | 87.2 Ų | 87.2 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.3 | 178.5 | 176 | 20.5 | 0 | 0 | 0 | 109 | R20 | D3-R20 HydrophobicContact CB-CB 4.17Å; D3-R20 PolarHBondContact N-O 3.04Å; D3-R20 PolarHBondContact O-N 3.41Å |
| 4 | T | 47.3 | Very low | 47.1 | Very low | 49 Ų | 49 | 81.1 Ų | 81.1 | 30% | 0.301 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124 | -177.2 | 58.9 | 0 | 0 | 0 | 0 | 109.5 | I2 S18 V19 F76 | I2-T4 HydrophobicContact CG2-CG2 4.18Å; T4-S18 CarbonylContact C-O 3.31Å; T4-S18 WeakPolarHBondContact CA-O 3.49Å; T4-V19 HydrophobicContact CG2-CG1 4.19Å; T4-V19 HydrophobicContact CG2-CG2 4.25Å; T4-F76 HydrophobicContact CG2-CE1 4.09Å; T4-F76 HydrophobicContact CG2-CE2 4Å; T4-F76 HydrophobicContact CG2-CZ 3.64Å |
| 5 | G | 45.8 | Very low | 47.1 | Very low | 23 Ų | 23 | 78.2 Ų | 78.2 | 24% | 0.237 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | M17 S18 | G5-M17 CarbonylContact O-C 3.41Å; G5-M17 VanDerWaalsContact O-CA 3.31Å; G5-M17 WeakPolarHBondContact O-CA 3.25Å; G5-S18 PolarHBondContact N-O 3.39Å; G5-S18 PolarHBondContact O-N 2.85Å; G5-S18 PolarHBondContact O-OG 2.97Å |
| 6 | V | 47.5 | Very low | 47.2 | Very low | 69 Ų | 69 | 73.8 Ų | 73.8 | 42% | 0.418 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.6 | 168.1 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | L15 S16 M17 | V6-L15 HydrophobicContact CG1-CB 4.12Å; V6-L15 HydrophobicContact CG1-CD1 4.01Å; V6-L15 HydrophobicContact CG1-CD2 4.42Å; V6-L15 HydrophobicContact CG1-CG 4.43Å; V6-S16 CarbonylContact C-O 3.5Å; V6-S16 VanDerWaalsContact CA-O 3.3Å; V6-S16 WeakPolarHBondContact CA-O 3.21Å; V6-M17 HydrophobicContact CG2-CE 4.1Å; V6-M17 HydrophobicContact CG2-CG 4.2Å |
| 7 | T | 48.1 | Very low | 47.4 | Very low | 88 Ų | 88 | 70.6 Ų | 70.6 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.3 | 179 | -39.9 | 0 | 0 | 0 | 0 | 108.7 | L9 S16 | T7-L9 PolarHBondContact O-N 3.04Å; T7-S16 PolarHBondContact N-O 3.14Å; T7-S16 WeakPolarHBondContact O-CA 3.45Å; T7-S16 WeakPolarHBondContact O-CB 3.2Å; T7-S16 PolarHBondContact O-N 3.03Å |
| 8 | R | 47.5 | Very low | 47.5 | Very low | 174 Ų | 174 | 68.4 Ų | 68.4 | 66% | 0.657 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 132.2 | 172.7 | -163.5 | 175.2 | -171.1 | -144.3 | 2.4 | 109.3 | P10 L15 | R8-P10 WeakPolarHBondContact O-CD 3.35Å; R8-L15 HydrophobicContact CB-CD2 4.33Å; R8-L15 HydrophobicContact CG-CD2 4.28Å |
| 9 | L | 50 | Low | 47.6 | Very low | 46 Ų | 46 | 64.9 Ų | 64.9 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 128.5 | 173.7 | -79.5 | 174 | 0 | 0 | 0 | 109.3 | T7 G11 S12 G14 T37 V39 | T7-L9 PolarHBondContact O-N 3.04Å; L9-G11 PolarHBondContact O-N 3.09Å; L9-G11 VanDerWaalsContact O-N 3.07Å; L9-S12 WeakPolarHBondContact CB-OG 3.4Å; L9-S12 WeakPolarHBondContact CD1-OG 3.29Å; L9-S12 PolarHBondContact O-N 3.47Å; L9-G14 PolarHBondContact N-O 3.48Å; L9-T37 HydrophobicContact CD1-CG2 3.5Å; L9-T37 VanDerWaalsContact CD1-CG2 3.5Å; L9-T37 HydrophobicContact CD2-CG2 3.79Å; L9-T37 HydrophobicContact CG-CG2 3.9Å; L9-V39 HydrophobicContact CD1-CG2 4.5Å |
| 10 | P | 46.2 | Very low | 47.7 | Very low | 126 Ų | 126 | 68.6 Ų | 68.6 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 118.2 | 173.6 | -22.2 | 32.6 | 0 | 0 | 0 | 109.7 | R8 | R8-P10 WeakPolarHBondContact O-CD 3.35Š|
| 11 | G | 51.9 | Low | 47.8 | Very low | 48 Ų | 48 | 65.7 Ų | 65.7 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 10.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | L9 | L9-G11 PolarHBondContact O-N 3.09Å; L9-G11 VanDerWaalsContact O-N 3.07Å |
| 12 | S | 46.8 | Very low | 47.9 | Very low | 42 Ų | 42 | 57.6 Ų | 57.6 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -129.9 | 162.6 | 170.9 | 85.7 | 0 | 0 | 0 | 0 | 112 | L9 G14 | L9-S12 WeakPolarHBondContact CB-OG 3.4Å; L9-S12 WeakPolarHBondContact CD1-OG 3.29Å; L9-S12 PolarHBondContact O-N 3.47Å; S12-G14 PolarHBondContact O-N 2.89Å; S12-G14 WeakPolarHBondContact OG-CA 3.45Å; S12-G14 PolarHBondContact OG-N 2.78Å |
| 13 | T | 47.8 | Very low | 48 | Very low | 117 Ų | 117 | 57 Ų | 57 | 72% | 0.718 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -76.3 | -4.3 | 165.8 | 48.7 | 0 | 0 | 0 | 0 | 112 | ||
| 14 | G | 45.4 | Very low | 47.9 | Very low | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | trans | -79.8 | 156.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L9 S12 | L9-G14 PolarHBondContact N-O 3.48Å; S12-G14 PolarHBondContact O-N 2.89Å; S12-G14 WeakPolarHBondContact OG-CA 3.45Å; S12-G14 PolarHBondContact OG-N 2.78Å | ||
| 15 | L | 46.4 | Very low | 47.7 | Very low | 38 Ų | 38 | 61.9 Ų | 61.9 | 20% | 0.199 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 159.1 | 172.9 | -62.6 | -177.2 | 0 | 0 | 0 | 109.6 | V6 R8 F38 I40 P69 | V6-L15 HydrophobicContact CG1-CB 4.12Å; V6-L15 HydrophobicContact CG1-CD1 4.01Å; V6-L15 HydrophobicContact CG1-CD2 4.42Å; V6-L15 HydrophobicContact CG1-CG 4.43Å; R8-L15 HydrophobicContact CB-CD2 4.33Å; R8-L15 HydrophobicContact CG-CD2 4.28Å; L15-F38 CarbonylContact C-O 3.57Å; L15-F38 PolarHBondContact N-O 2.96Å; L15-F38 CarbonylContact O-C 3.43Å; L15-F38 PolarHBondContact O-N 2.85Å; L15-I40 HydrophobicContact CD1-CD1 4.27Å; L15-P69 HydrophobicContact CD1-CB 3.39Å; L15-P69 HydrophobicContact CD1-CG 3.56Å; L15-P69 HydrophobicContact CG-CB 4.46Å; L15-P69 HydrophobicContact CG-CG 4.29Å |
| 16 | S | 48.2 | Very low | 47.7 | Very low | 8 Ų | 8 | 66.6 Ų | 66.6 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.1 | 169.8 | -172.9 | 0 | 0 | 0 | 0 | 107.2 | V6 T7 T37 | V6-S16 CarbonylContact C-O 3.5Å; V6-S16 VanDerWaalsContact CA-O 3.3Å; V6-S16 WeakPolarHBondContact CA-O 3.21Å; T7-S16 PolarHBondContact N-O 3.14Å; T7-S16 WeakPolarHBondContact O-CA 3.45Å; T7-S16 WeakPolarHBondContact O-CB 3.2Å; T7-S16 PolarHBondContact O-N 3.03Å; S16-T37 PolarHBondContact OG-OG1 3.18Å |
| 17 | M | 50.9 | Low | 47.2 | Very low | 19 Ų | 19 | 71.4 Ų | 71.4 | 9% | 0.094 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.6 | 178.7 | -172.6 | -173.8 | -72.4 | 0 | 0 | 109.9 | G5 V6 V19 N36 F38 L64 F76 | G5-M17 CarbonylContact O-C 3.41Å; G5-M17 VanDerWaalsContact O-CA 3.31Å; G5-M17 WeakPolarHBondContact O-CA 3.25Å; V6-M17 HydrophobicContact CG2-CE 4.1Å; V6-M17 HydrophobicContact CG2-CG 4.2Å; M17-V19 HydrophobicContact CG-CG2 4.09Å; M17-V19 HydrophobicContact SD-CG2 4.09Å; M17-N36 CarbonylContact C-O 3.48Å; M17-N36 VanDerWaalsContact C-O 3.31Å; M17-N36 WeakPolarHBondContact CA-O 3.2Å; M17-N36 PolarHBondContact N-O 3.24Å; M17-N36 CarbonylContact O-C 3.49Å; M17-N36 PolarHBondContact O-N 2.94Å; M17-F38 HydrophobicContact CB-CD2 3.56Å; M17-F38 HydrophobicContact CB-CE2 3.77Å; M17-F38 HydrophobicContact CG-CE2 4.38Å; M17-F38 HydrophobicContact SD-CD2 4.35Å; M17-F38 HydrophobicContact SD-CE2 4.01Å; M17-L64 HydrophobicContact CE-CD2 4.43Å; M17-L64 HydrophobicContact SD-CD1 4Å; M17-L64 HydrophobicContact SD-CD2 3.77Å; M17-F76 HydrophobicContact SD-CE1 3.86Å; M17-F76 HydrophobicContact SD-CZ 3.87Å |
| 18 | S | 49.7 | Very low | 46.8 | Very low | 32 Ų | 32 | 74.7 Ų | 74.7 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.3 | 168.1 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | T4 G5 L34 | T4-S18 CarbonylContact C-O 3.31Å; T4-S18 WeakPolarHBondContact CA-O 3.49Å; G5-S18 PolarHBondContact N-O 3.39Å; G5-S18 PolarHBondContact O-N 2.85Å; G5-S18 PolarHBondContact O-OG 2.97Å; S18-L34 WeakPolarHBondContact CA-O 3.42Å |
| 19 | V | 49.4 | Very low | 46.5 | Very low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115 | 172.2 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | I2 T4 M17 V21 L34 L62 F76 | I2-V19 HydrophobicContact CG2-CG1 4.13Å; T4-V19 HydrophobicContact CG2-CG1 4.19Å; T4-V19 HydrophobicContact CG2-CG2 4.25Å; M17-V19 HydrophobicContact CG-CG2 4.09Å; M17-V19 HydrophobicContact SD-CG2 4.09Å; V19-V21 HydrophobicContact CG1-CG2 3.91Å; V19-L34 PolarHBondContact N-O 2.89Å; V19-L34 PolarHBondContact O-N 3.23Å; V19-L34 VanDerWaalsContact O-O 3.13Å; V19-L62 HydrophobicContact CB-CD2 4.36Å; V19-L62 HydrophobicContact CG1-CD2 4.15Å; V19-L62 HydrophobicContact CG2-CD2 4.07Å; V19-F76 HydrophobicContact CG2-CE1 3.85Å |
| 20 | R | 49.4 | Very low | 46 | Very low | 138 Ų | 138 | 77.8 Ų | 77.8 | 52% | 0.521 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 114.3 | 172.4 | -68.7 | 176.9 | -179.9 | -117.4 | -0.5 | 107.8 | I2 D3 C33 | I2-R20 CarbonylContact C-O 3.47Å; I2-R20 WeakPolarHBondContact CA-O 3.28Å; I2-R20 WeakPolarHBondContact CG2-O 3.21Å; D3-R20 HydrophobicContact CB-CB 4.17Å; D3-R20 PolarHBondContact N-O 3.04Å; D3-R20 PolarHBondContact O-N 3.41Å; R20-C33 HydrophobicContact CG-CB 4.47Å |
| 21 | V | 49.9 | Very low | 45.7 | Very low | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.048 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 110.8 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | I2 V19 L23 V32 M54 M78 | I2-V21 HydrophobicContact CD1-CG1 4.14Å; I2-V21 HydrophobicContact CD1-CG2 4.42Å; I2-V21 HydrophobicContact CG1-CB 4.44Å; I2-V21 HydrophobicContact CG1-CG1 4.04Å; I2-V21 HydrophobicContact CG1-CG2 4.4Å; I2-V21 HydrophobicContact CG2-CG2 4.19Å; V19-V21 HydrophobicContact CG1-CG2 3.91Å; V21-L23 HydrophobicContact CG1-CD2 4.23Å; V21-L23 HydrophobicContact CG1-CG 4.44Å; V21-V32 PolarHBondContact N-O 3.15Å; V21-V32 PolarHBondContact O-N 3.45Å; V21-M54 HydrophobicContact CB-CE 4.36Å; V21-M54 HydrophobicContact CG1-CE 4.29Å; V21-M78 HydrophobicContact CG1-CE 4.36Å |
| 22 | G | 44.5 | Very low | 45.3 | Very low | 24 Ų | 24 | 75.4 Ų | 75.4 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | trans | -91.3 | 112.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | M1 | M1-G22 PolarHBondContact N-O 3.49Å; M1-G22 WeakPolarHBondContact O-CA 3.43Å; M1-G22 PolarHBondContact O-N 3.49Å | ||
| 23 | L | 48.9 | Very low | 45.1 | Very low | 46 Ų | 46 | 76.8 Ų | 76.8 | 24% | 0.241 | 42% | 0.418 | C | S | . | . | trans | -79.2 | 143.7 | 177.7 | -71 | 171.6 | 0 | 0 | 0 | 111.3 | V21 N25 V29 M54 M78 | V21-L23 HydrophobicContact CG1-CD2 4.23Å; V21-L23 HydrophobicContact CG1-CG 4.44Å; L23-N25 PolarHBondContact O-N 3.43Å; L23-V29 HydrophobicContact CD1-CB 3.88Å; L23-V29 HydrophobicContact CD1-CG1 3.56Å; L23-V29 HydrophobicContact CD1-CG2 4.27Å; L23-M54 HydrophobicContact CD1-CE 4.34Å; L23-M54 HydrophobicContact CD1-SD 3.45Å; L23-M54 WeakPolarHBondContact CD1-SD 3.4Å; L23-M54 HydrophobicContact CG-SD 4.35Å; L23-M78 HydrophobicContact CD2-CE 4.1Å | ||
| 24 | P | 44.3 | Very low | 45.1 | Very low | 104 Ų | 104 | 72.8 Ų | 72.8 | 68% | 0.675 | 39% | 0.392 | S | S | * | . | trans | -62.4 | 135.3 | 170.8 | 26.6 | -31 | 0 | 0 | 0 | 109.3 | T26 | P24-T26 VanDerWaalsContact C-N 3.33Å; P24-T26 PolarHBondContact O-N 3.15Å | ||
| 25 | N | 43.7 | Very low | 45.1 | Very low | 146 Ų | 146 | 82 Ų | 82 | 78% | 0.781 | 43% | 0.426 | S | S | * | . | trans | -74 | 74.4 | -164.8 | -162.7 | 19.4 | 0 | 0 | 0 | 112.5 | L23 | L23-N25 PolarHBondContact O-N 3.43Š| ||
| 26 | T | 44.7 | Very low | 45.1 | Very low | 122 Ų | 122 | 81.8 Ų | 81.8 | 75% | 0.748 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -106.8 | 53.6 | 169.9 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | P24 | P24-T26 VanDerWaalsContact C-N 3.33Å; P24-T26 PolarHBondContact O-N 3.15Å |
| 27 | E | 38.5 | Very low | 44.8 | Very low | 170 Ų | 170 | 84.4 Ų | 84.4 | 79% | 0.794 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 97.7 | 102.8 | 178.2 | -51.7 | 174.1 | 164.6 | 0 | 0 | 114.8 | V29 | E27-V29 PolarHBondContact O-N 3.23Š|
| 28 | N | 39.5 | Very low | 44.6 | Very low | 158 Ų | 158 | 84.4 Ų | 84.4 | 85% | 0.845 | 44% | 0.44 | S | S | * | . | trans | 62.8 | 4.7 | 153.7 | -77.8 | -38.8 | 0 | 0 | 0 | 122.1 | R30 | N28-R30 PolarHBondContact O-N 3.07Å; N28-R30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | V | 40 | Very low | 44.3 | Very low | 75 Ų | 75 | 87.1 Ų | 87.1 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | trans | -84.4 | 97.2 | 176.4 | -166.8 | 0 | 0 | 0 | 0 | 112 | L23 E27 | L23-V29 HydrophobicContact CD1-CB 3.88Å; L23-V29 HydrophobicContact CD1-CG1 3.56Å; L23-V29 HydrophobicContact CD1-CG2 4.27Å; E27-V29 PolarHBondContact O-N 3.23Å | ||
| 30 | R | 39.5 | Very low | 44.1 | Very low | 209 Ų | 209 | 89.3 Ų | 89.3 | 79% | 0.789 | 47% | 0.467 | S | S | * | . | trans | -61.9 | 134.2 | 164.6 | -68.6 | -179.8 | -180 | -174.8 | 0.5 | 108.5 | N28 | N28-R30 PolarHBondContact O-N 3.07Å; N28-R30 VanDerWaalsContact O-N 3.12Å | ||
| 31 | S | 40.6 | Very low | 43.7 | Very low | 89 Ų | 89 | 86 Ų | 86 | 62% | 0.622 | 46% | 0.463 | S | S | * | . | trans | -36.9 | 135.6 | -175.7 | 45.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 32 | V | 42.8 | Very low | 43.5 | Very low | 35 Ų | 35 | 91.7 Ų | 91.7 | 21% | 0.212 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.2 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 108 | V21 L34 V52 M54 | V21-V32 PolarHBondContact N-O 3.15Å; V21-V32 PolarHBondContact O-N 3.45Å; V32-L34 HydrophobicContact CG1-CD1 4.33Å; V32-L34 HydrophobicContact CG1-CD2 4.45Å; V32-L34 HydrophobicContact CG1-CG 4.03Å; V32-V52 HydrophobicContact CG1-CG1 3.98Å; V32-M54 HydrophobicContact CB-CE 3.8Å; V32-M54 HydrophobicContact CB-SD 4.43Å; V32-M54 HydrophobicContact CG1-CE 4.34Å; V32-M54 HydrophobicContact CG2-CE 3.66Å; V32-M54 HydrophobicContact CG2-CG 4.04Å; V32-M54 HydrophobicContact CG2-SD 3.62Å |
| 33 | C | 44.2 | Very low | 43.2 | Very low | 72 Ų | 72 | 97.9 Ų | 97.9 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 104.8 | 172.5 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | R20 | R20-C33 HydrophobicContact CG-CB 4.47Å |
| 34 | L | 47.2 | Very low | 42.9 | Very low | 32 Ų | 32 | 103.2 Ų | 103.2 | 17% | 0.168 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 109.5 | 170.7 | -65.6 | 147.1 | 0 | 0 | 0 | 107.3 | S18 V19 V32 L50 V52 | S18-L34 WeakPolarHBondContact CA-O 3.42Å; V19-L34 PolarHBondContact N-O 2.89Å; V19-L34 PolarHBondContact O-N 3.23Å; V19-L34 VanDerWaalsContact O-O 3.13Å; V32-L34 HydrophobicContact CG1-CD1 4.33Å; V32-L34 HydrophobicContact CG1-CD2 4.45Å; V32-L34 HydrophobicContact CG1-CG 4.03Å; L34-L50 HydrophobicContact CB-CD2 4.27Å; L34-L50 HydrophobicContact CD1-CD2 4.25Å; L34-L50 HydrophobicContact CD2-CD2 4.35Å; L34-V52 HydrophobicContact CD1-CB 4.09Å; L34-V52 HydrophobicContact CD1-CG1 3.77Å; L34-V52 HydrophobicContact CD1-CG2 3.17Å; L34-V52 HydrophobicContact CD2-CG1 4.05Å; L34-V52 HydrophobicContact CD2-CG2 3.94Å; L34-V52 HydrophobicContact CG-CG1 4.31Å; L34-V52 HydrophobicContact CG-CG2 4.14Å |
| 35 | R | 45.1 | Very low | 42.8 | Very low | 195 Ų | 195 | 101.6 Ų | 101.6 | 74% | 0.736 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 96.6 | 167.6 | -170.3 | 177.4 | -179.1 | -161 | -0.1 | 106.9 | ||
| 36 | N | 45.6 | Very low | 42.9 | Very low | 34 Ų | 34 | 101.9 Ų | 101.9 | 18% | 0.182 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.8 | 177.4 | -149.6 | 22.9 | 0 | 0 | 0 | 110.5 | M17 F38 L50 | M17-N36 CarbonylContact C-O 3.48Å; M17-N36 VanDerWaalsContact C-O 3.31Å; M17-N36 WeakPolarHBondContact CA-O 3.2Å; M17-N36 PolarHBondContact N-O 3.24Å; M17-N36 CarbonylContact O-C 3.49Å; M17-N36 PolarHBondContact O-N 2.94Å; N36-F38 HydrophobicContact CB-CE1 4.28Å; N36-F38 HydrophobicContact CB-CE2 3.78Å; N36-F38 HydrophobicContact CB-CZ 3.67Å; N36-F38 WeakPolarHBondContact ND2-CE1 3.45Å; N36-F38 WeakPolarHBondContact ND2-CZ 3.21Å; N36-F38 PolarHBondContact O-N 2.89Å; N36-L50 HydrophobicContact CB-CD2 4.14Å |
| 37 | T | 42.3 | Very low | 43 | Very low | 62 Ų | 62 | 101.7 Ų | 101.7 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | trans | -94.5 | 109.6 | -179.1 | -63.9 | 0 | 0 | 0 | 0 | 108.2 | L9 S16 | L9-T37 HydrophobicContact CD1-CG2 3.5Å; L9-T37 VanDerWaalsContact CD1-CG2 3.5Å; L9-T37 HydrophobicContact CD2-CG2 3.79Å; L9-T37 HydrophobicContact CG-CG2 3.9Å; S16-T37 PolarHBondContact OG-OG1 3.18Å | ||
| 38 | F | 47.8 | Very low | 43.3 | Very low | 19 Ų | 19 | 96.4 Ų | 96.4 | 8% | 0.083 | 50% | 0.502 | C | S | . | . | trans | -98.4 | 102.4 | 179 | -58.1 | -70.8 | 0 | 0 | 0 | 110.1 | L15 M17 N36 I40 Q48 L64 | L15-F38 CarbonylContact C-O 3.57Å; L15-F38 PolarHBondContact N-O 2.96Å; L15-F38 CarbonylContact O-C 3.43Å; L15-F38 PolarHBondContact O-N 2.85Å; M17-F38 HydrophobicContact CB-CD2 3.56Å; M17-F38 HydrophobicContact CB-CE2 3.77Å; M17-F38 HydrophobicContact CG-CE2 4.38Å; M17-F38 HydrophobicContact SD-CD2 4.35Å; M17-F38 HydrophobicContact SD-CE2 4.01Å; N36-F38 HydrophobicContact CB-CE1 4.28Å; N36-F38 HydrophobicContact CB-CE2 3.78Å; N36-F38 HydrophobicContact CB-CZ 3.67Å; N36-F38 WeakPolarHBondContact ND2-CE1 3.45Å; N36-F38 WeakPolarHBondContact ND2-CZ 3.21Å; N36-F38 PolarHBondContact O-N 2.89Å; F38-I40 VanDerWaalsContact C-N 3.32Å; F38-I40 HydrophobicContact CB-CG1 4.22Å; F38-I40 PolarHBondContact O-N 3.16Å; F38-Q48 HydrophobicContact CE1-CB 4.21Å; F38-L64 HydrophobicContact CD2-CD1 3.94Å; F38-L64 HydrophobicContact CE1-CD1 3.78Å; F38-L64 HydrophobicContact CE2-CD1 3.18Å; F38-L64 HydrophobicContact CZ-CD1 3.05Å; F38-L64 HydrophobicContact CZ-CG 4.43Å | ||
| 39 | V | 42.7 | Very low | 43.7 | Very low | 90 Ų | 90 | 93.1 Ų | 93.1 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | trans | -71.2 | 98.9 | 163.8 | -175.8 | 0 | 0 | 0 | 0 | 106.1 | L9 P41 | L9-V39 HydrophobicContact CD1-CG2 4.5Å; V39-P41 WeakPolarHBondContact O-CD 3.48Å | ||
| 40 | I | 45.7 | Very low | 44 | Very low | 48 Ų | 48 | 90.9 Ų | 90.9 | 25% | 0.246 | 47% | 0.467 | C | S | . | . | trans | -79.8 | 109 | 176.4 | -55.7 | 176.6 | 0 | 0 | 0 | 106.6 | L15 F38 T68 P69 | L15-I40 HydrophobicContact CD1-CD1 4.27Å; F38-I40 VanDerWaalsContact C-N 3.32Å; F38-I40 HydrophobicContact CB-CG1 4.22Å; F38-I40 PolarHBondContact O-N 3.16Å; I40-T68 HydrophobicContact CG2-CG2 3.71Å; I40-P69 HydrophobicContact CB-CG 4.11Å; I40-P69 HydrophobicContact CD1-CG 3.88Å; I40-P69 VanDerWaalsContact CG2-CD 3.45Å; I40-P69 HydrophobicContact CG2-CG 4.21Å | ||
| 41 | P | 40.3 | Very low | 44.2 | Very low | 67 Ų | 67 | 86.7 Ų | 86.7 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | trans | -61.5 | 142.6 | 171.7 | 27 | -31.6 | 0 | 0 | 0 | 108.4 | V39 Q43 | V39-P41 WeakPolarHBondContact O-CD 3.48Å; P41-Q43 PolarHBondContact O-N 3.47Å | ||
| 42 | T | 45 | Very low | 44.5 | Very low | 128 Ų | 128 | 82.8 Ų | 82.8 | 79% | 0.785 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -62.4 | -1 | -179.9 | 34.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 43 | Q | 38.3 | Very low | 44.4 | Very low | 154 Ų | 154 | 85.5 Ų | 85.5 | 72% | 0.72 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -125.1 | 121.8 | -178.5 | -75.4 | 173.3 | -7.5 | 0 | 0 | 108.5 | P41 | P41-Q43 PolarHBondContact O-N 3.47Š|
| 44 | E | 42.5 | Very low | 44.4 | Very low | 158 Ų | 158 | 84.3 Ų | 84.3 | 74% | 0.738 | 44% | 0.436 | S | S | * | . | trans | 75.5 | 121.4 | 163 | -60.7 | 172.1 | 179.2 | 0 | 0 | 116.1 | E46 | E44-E46 PolarHBondContact O-N 3.47Š| ||
| 45 | A | 43.1 | Very low | 44.1 | Very low | 70 Ų | 70 | 86.4 Ų | 86.4 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | trans | -70.9 | 74 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q47 | A45-Q47 PolarHBondContact O-N 2.78Š| ||
| 46 | E | 44.5 | Very low | 44 | Very low | 153 Ų | 153 | 83 Ų | 83 | 72% | 0.715 | 45% | 0.45 | S | S | * | . | trans | -71.5 | 120.3 | 170 | -72 | -163.2 | 121.3 | 0 | 0 | 109.3 | E44 Q48 | E44-E46 PolarHBondContact O-N 3.47Å; E46-Q48 PolarHBondContact O-N 3.23Å; E46-Q48 VanDerWaalsContact O-N 3.13Å | ||
| 47 | Q | 47.4 | Very low | 44 | Very low | 117 Ų | 117 | 86 Ų | 86 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | trans | -59 | 115.4 | 170.3 | -71.4 | 178.7 | -7.3 | 0 | 0 | 108.5 | A45 | A45-Q47 PolarHBondContact O-N 2.78Š| ||
| 48 | Q | 46 | Very low | 44 | Very low | 59 Ų | 59 | 86.9 Ų | 86.9 | 28% | 0.276 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119.2 | 177.5 | -73 | -179.9 | -14.8 | 0 | 0 | 109.4 | F38 E46 L64 | F38-Q48 HydrophobicContact CE1-CB 4.21Å; E46-Q48 PolarHBondContact O-N 3.23Å; E46-Q48 VanDerWaalsContact O-N 3.13Å; Q48-L64 PolarHBondContact N-O 3.12Å; Q48-L64 PolarHBondContact O-N 2.84Å |
| 49 | H | 47.6 | Very low | 43.9 | Very low | 90 Ų | 90 | 89.7 Ų | 89.7 | 42% | 0.417 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.2 | 176.7 | -62.2 | -82.6 | 0 | 0 | 0 | 108.8 | E61 R63 | H49-E61 IonicContact CE1-OE1 3.66Å; H49-E61 IonicContact CG-OE1 3.89Å; H49-E61 IonicContact ND1-OE1 2.85Å; H49-E61 PolarHBondContact ND1-OE1 2.85Å; H49-R63 PolarHBondContact CE1-NE 2.9Å; H49-R63 PolarHBondContact CE1-NH2 3.13Å |
| 50 | L | 46.7 | Very low | 43.9 | Very low | 27 Ų | 27 | 87.1 Ų | 87.1 | 14% | 0.141 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 115.2 | 169.5 | 179.7 | 63.2 | 0 | 0 | 0 | 108.8 | L34 N36 V52 L62 | L34-L50 HydrophobicContact CB-CD2 4.27Å; L34-L50 HydrophobicContact CD1-CD2 4.25Å; L34-L50 HydrophobicContact CD2-CD2 4.35Å; N36-L50 HydrophobicContact CB-CD2 4.14Å; L50-V52 HydrophobicContact CD2-CG2 4.48Å; L50-V52 HydrophobicContact CG-CG2 4.26Å; L50-L62 HydrophobicContact CB-CB 4.23Å; L50-L62 HydrophobicContact CB-CD2 4.43Å; L50-L62 HydrophobicContact CD2-CD2 4.02Å; L50-L62 PolarHBondContact N-O 3.04Å; L50-L62 WeakPolarHBondContact O-CA 3.43Å; L50-L62 WeakPolarHBondContact O-CB 3.48Å; L50-L62 PolarHBondContact O-N 2.76Å |
| 51 | M | 43.1 | Very low | 43.9 | Very low | 122 Ų | 122 | 87.4 Ų | 87.4 | 60% | 0.601 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129 | 171.6 | -71.3 | 176.9 | 48.8 | 0 | 0 | 110.1 | M59 | M51-M59 HydrophobicContact CE-SD 3.48Å; M51-M59 WeakPolarHBondContact CE-SD 3.4Å |
| 52 | V | 45.8 | Very low | 44.3 | Very low | 7 Ų | 7 | 84.8 Ų | 84.8 | 4% | 0.042 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 104.8 | -179.7 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | V32 L34 L50 M54 Y60 | V32-V52 HydrophobicContact CG1-CG1 3.98Å; L34-V52 HydrophobicContact CD1-CB 4.09Å; L34-V52 HydrophobicContact CD1-CG1 3.77Å; L34-V52 HydrophobicContact CD1-CG2 3.17Å; L34-V52 HydrophobicContact CD2-CG1 4.05Å; L34-V52 HydrophobicContact CD2-CG2 3.94Å; L34-V52 HydrophobicContact CG-CG1 4.31Å; L34-V52 HydrophobicContact CG-CG2 4.14Å; L50-V52 HydrophobicContact CD2-CG2 4.48Å; L50-V52 HydrophobicContact CG-CG2 4.26Å; V52-M54 HydrophobicContact CG1-CE 3.98Å; V52-M54 HydrophobicContact CG1-CG 3.93Å; V52-M54 PolarHBondContact O-N 3.06Å; V52-Y60 PolarHBondContact N-O 2.84Å; V52-Y60 PolarHBondContact O-N 3.35Å; V52-Y60 VanDerWaalsContact O-N 3.15Å |
| 53 | P | 41 | Very low | 44.3 | Very low | 91 Ų | 91 | 82.8 Ų | 82.8 | 59% | 0.591 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 108.7 | 172.2 | 29.4 | -29.7 | 0 | 0 | 0 | 108.7 | ||
| 54 | M | 45.3 | Very low | 44.8 | Very low | 47 Ų | 47 | 76.2 Ų | 76.2 | 23% | 0.232 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -23.7 | 172.4 | -66.1 | -153.6 | -170.2 | 0 | 0 | 112.3 | V21 L23 V32 V52 Y60 | V21-M54 HydrophobicContact CB-CE 4.36Å; V21-M54 HydrophobicContact CG1-CE 4.29Å; L23-M54 HydrophobicContact CD1-CE 4.34Å; L23-M54 HydrophobicContact CD1-SD 3.45Å; L23-M54 WeakPolarHBondContact CD1-SD 3.4Å; L23-M54 HydrophobicContact CG-SD 4.35Å; V32-M54 HydrophobicContact CB-CE 3.8Å; V32-M54 HydrophobicContact CB-SD 4.43Å; V32-M54 HydrophobicContact CG1-CE 4.34Å; V32-M54 HydrophobicContact CG2-CE 3.66Å; V32-M54 HydrophobicContact CG2-CG 4.04Å; V32-M54 HydrophobicContact CG2-SD 3.62Å; V52-M54 HydrophobicContact CG1-CE 3.98Å; V52-M54 HydrophobicContact CG1-CG 3.93Å; V52-M54 PolarHBondContact O-N 3.06Å; M54-Y60 HydrophobicContact CB-CD2 4.13Å; M54-Y60 HydrophobicContact CB-CE2 4.24Å; M54-Y60 HydrophobicContact CE-CD2 4.38Å; M54-Y60 HydrophobicContact CG-CD2 3.88Å; M54-Y60 HydrophobicContact CG-CE2 4.31Å; M54-Y60 HydrophobicContact SD-CD2 4Å; M54-Y60 HydrophobicContact SD-CE2 4.12Å |
| 55 | N | 39.8 | Very low | 44.8 | Very low | 76 Ų | 76 | 71 Ų | 71 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 146.2 | 168.5 | 179.4 | -40.3 | 0 | 0 | 0 | 106.2 | S57 Q58 | N55-S57 PolarHBondContact O-N 2.87Å; N55-S57 WeakPolarHBondContact OD1-CB 3.38Å; N55-S57 PolarHBondContact OD1-N 2.81Å; N55-S57 PolarHBondContact OD1-OG 2.92Å; N55-Q58 HydrophobicContact CB-CB 4.45Å; N55-Q58 PolarHBondContact N-O 3.25Å; N55-Q58 CarbonylContact O-C 3.42Å; N55-Q58 PolarHBondContact O-N 3.18Å |
| 56 | P | 43.4 | Very low | 44.6 | Very low | 123 Ų | 123 | 69.4 Ų | 69.4 | 80% | 0.799 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -24.3 | 171.6 | 17.1 | -31 | 0 | 0 | 0 | 114 | ||
| 57 | S | 45.3 | Very low | 44.2 | Very low | 97 Ų | 97 | 65.7 Ų | 65.7 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -10.7 | 179.5 | -43.7 | 0 | 0 | 0 | 0 | 114.6 | N55 | N55-S57 PolarHBondContact O-N 2.87Å; N55-S57 WeakPolarHBondContact OD1-CB 3.38Å; N55-S57 PolarHBondContact OD1-N 2.81Å; N55-S57 PolarHBondContact OD1-OG 2.92Å |
| 58 | Q | 43.3 | Very low | 44 | Very low | 82 Ų | 82 | 62.4 Ų | 62.4 | 38% | 0.383 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 103 | -177 | -69 | -176.3 | -4.3 | 0 | 0 | 110.3 | N55 A82 | N55-Q58 HydrophobicContact CB-CB 4.45Å; N55-Q58 PolarHBondContact N-O 3.25Å; N55-Q58 CarbonylContact O-C 3.42Å; N55-Q58 PolarHBondContact O-N 3.18Å; Q58-A82 HydrophobicContact CG-CB 4.33Å |
| 59 | M | 44 | Very low | 43.9 | Very low | 77 Ų | 77 | 62.1 Ų | 62.1 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.9 | 170.6 | -58.3 | -167.6 | -157.5 | 0 | 0 | 109 | M51 | M51-M59 HydrophobicContact CE-SD 3.48Å; M51-M59 WeakPolarHBondContact CE-SD 3.4Å |
| 60 | Y | 43.9 | Very low | 43.7 | Very low | 37 Ų | 37 | 62.8 Ų | 62.8 | 15% | 0.145 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.3 | 167.2 | -67.3 | -80.5 | 0 | 0 | 0 | 108.4 | V52 M54 M78 R79 | V52-Y60 PolarHBondContact N-O 2.84Å; V52-Y60 PolarHBondContact O-N 3.35Å; V52-Y60 VanDerWaalsContact O-N 3.15Å; M54-Y60 HydrophobicContact CB-CD2 4.13Å; M54-Y60 HydrophobicContact CB-CE2 4.24Å; M54-Y60 HydrophobicContact CE-CD2 4.38Å; M54-Y60 HydrophobicContact CG-CD2 3.88Å; M54-Y60 HydrophobicContact CG-CE2 4.31Å; M54-Y60 HydrophobicContact SD-CD2 4Å; M54-Y60 HydrophobicContact SD-CE2 4.12Å; Y60-M78 HydrophobicContact CD1-CE 3.12Å; Y60-M78 HydrophobicContact CD1-CG 3.84Å; Y60-M78 HydrophobicContact CD1-SD 4.18Å; Y60-M78 HydrophobicContact CD2-CE 4.03Å; Y60-M78 HydrophobicContact CE1-CE 3.49Å; Y60-M78 VanDerWaalsContact CE1-CE 3.49Å; Y60-M78 HydrophobicContact CE2-CE 4.35Å; Y60-M78 HydrophobicContact CG-CE 3.4Å; Y60-R79 WeakPolarHBondContact CA-O 3.38Å |
| 61 | E | 44.6 | Very low | 43.2 | Very low | 53 Ų | 53 | 68 Ų | 68 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.7 | 170.3 | -169.3 | -170.2 | 166.9 | 0 | 0 | 108.2 | H49 R63 M78 R79 | H49-E61 IonicContact CE1-OE1 3.66Å; H49-E61 IonicContact CG-OE1 3.89Å; H49-E61 IonicContact ND1-OE1 2.85Å; H49-E61 PolarHBondContact ND1-OE1 2.85Å; E61-R63 HydrophobicContact CG-CG 4.12Å; E61-R63 WeakPolarHBondContact OE1-CD 3.02Å; E61-R63 WeakPolarHBondContact OE1-CG 3.39Å; E61-R63 IonicContact OE1-CZ 3.91Å; E61-R63 IonicContact OE1-NE 2.89Å; E61-R63 PolarHBondContact OE1-NE 3.36Å; E61-M78 WeakPolarHBondContact O-CA 3.47Å; E61-R79 PolarHBondContact N-O 2.73Å; E61-R79 PolarHBondContact O-N 2.87Å |
| 62 | L | 49.2 | Very low | 42.8 | Very low | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.7 | 168 | -171.2 | 82.1 | 0 | 0 | 0 | 107.7 | V19 L50 L64 F76 | V19-L62 HydrophobicContact CB-CD2 4.36Å; V19-L62 HydrophobicContact CG1-CD2 4.15Å; V19-L62 HydrophobicContact CG2-CD2 4.07Å; L50-L62 HydrophobicContact CB-CB 4.23Å; L50-L62 HydrophobicContact CB-CD2 4.43Å; L50-L62 HydrophobicContact CD2-CD2 4.02Å; L50-L62 PolarHBondContact N-O 3.04Å; L50-L62 WeakPolarHBondContact O-CA 3.43Å; L50-L62 WeakPolarHBondContact O-CB 3.48Å; L50-L62 PolarHBondContact O-N 2.76Å; L62-L64 HydrophobicContact CD2-CD2 4.37Å; L62-F76 HydrophobicContact CD1-CB 4.24Å; L62-F76 HydrophobicContact CD1-CD1 3.86Å; L62-F76 HydrophobicContact CD2-CD1 4.17Å; L62-F76 HydrophobicContact CD2-CE1 4.47Å; L62-F76 HydrophobicContact CG-CD1 4.11Å |
| 63 | R | 45.4 | Very low | 42.4 | Very low | 86 Ų | 86 | 69.8 Ų | 69.8 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.2 | 173.6 | -71.3 | -177.4 | 144.8 | -137 | -11.7 | 110 | H49 E61 F76 A77 | H49-R63 PolarHBondContact CE1-NE 2.9Å; H49-R63 PolarHBondContact CE1-NH2 3.13Å; E61-R63 HydrophobicContact CG-CG 4.12Å; E61-R63 WeakPolarHBondContact OE1-CD 3.02Å; E61-R63 WeakPolarHBondContact OE1-CG 3.39Å; E61-R63 IonicContact OE1-CZ 3.91Å; E61-R63 IonicContact OE1-NE 2.89Å; E61-R63 PolarHBondContact OE1-NE 3.36Å; R63-F76 WeakPolarHBondContact O-CA 3.34Å; R63-A77 HydrophobicContact CB-CB 4.33Å; R63-A77 PolarHBondContact N-O 2.96Å; R63-A77 VanDerWaalsContact N-O 3.15Å; R63-A77 PolarHBondContact O-N 2.9Å |
| 64 | L | 48.7 | Very low | 42.3 | Very low | 17 Ų | 17 | 66.9 Ų | 66.9 | 9% | 0.089 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.1 | 169.3 | -59.5 | 174.5 | 0 | 0 | 0 | 108.9 | M17 F38 Q48 L62 T74 F76 | M17-L64 HydrophobicContact CE-CD2 4.43Å; M17-L64 HydrophobicContact SD-CD1 4Å; M17-L64 HydrophobicContact SD-CD2 3.77Å; F38-L64 HydrophobicContact CD2-CD1 3.94Å; F38-L64 HydrophobicContact CE1-CD1 3.78Å; F38-L64 HydrophobicContact CE2-CD1 3.18Å; F38-L64 HydrophobicContact CZ-CD1 3.05Å; F38-L64 HydrophobicContact CZ-CG 4.43Å; Q48-L64 PolarHBondContact N-O 3.12Å; Q48-L64 PolarHBondContact O-N 2.84Å; L62-L64 HydrophobicContact CD2-CD2 4.37Å; L64-T74 HydrophobicContact CB-CG2 4.22Å; L64-T74 HydrophobicContact CD2-CG2 3.82Å; L64-F76 HydrophobicContact CD2-CD1 3.32Å; L64-F76 HydrophobicContact CD2-CE1 3.09Å; L64-F76 HydrophobicContact CD2-CG 4.32Å; L64-F76 HydrophobicContact CD2-CZ 3.93Å |
| 65 | S | 43 | Very low | 41.9 | Very low | 47 Ų | 47 | 68.1 Ų | 68.1 | 33% | 0.329 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.4 | 168 | 47.6 | 0 | 0 | 0 | 0 | 109.2 | T74 D75 | S65-T74 WeakPolarHBondContact O-CA 2.96Å; S65-D75 PolarHBondContact N-O 2.84Å; S65-D75 PolarHBondContact O-N 3.33Å; S65-D75 PolarHBondContact OG-O 2.81Å |
| 66 | G | 37.8 | Very low | 42.1 | Very low | 37 Ų | 37 | 64.8 Ų | 64.8 | 38% | 0.381 | 38% | 0.38 | S | S | . | . | trans | -175.8 | 156.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | P | 36.7 | Very low | 41.9 | Very low | 75 Ų | 75 | 60.2 Ų | 60.2 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 149.3 | 176.2 | -11.3 | 27 | 0 | 0 | 0 | 110.2 | M71 A72 | P67-M71 WeakPolarHBondContact CB-O 3.3Å; P67-M71 WeakPolarHBondContact CG-O 3.31Å; P67-A72 HydrophobicContact CG-CB 3.68Å |
| 68 | T | 44.3 | Very low | 41.6 | Very low | 49 Ų | 49 | 57.4 Ų | 57.4 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -50.4 | 138.2 | 170.9 | 33.4 | 0 | 0 | 0 | 0 | 109.9 | I40 | I40-T68 HydrophobicContact CG2-CG2 3.71Š|
| 69 | P | 42.8 | Very low | 41.5 | Very low | 52 Ų | 52 | 59.8 Ų | 59.8 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 151.6 | -174.6 | 24 | -34.2 | 0 | 0 | 0 | 112.1 | L15 I40 | L15-P69 HydrophobicContact CD1-CB 3.39Å; L15-P69 HydrophobicContact CD1-CG 3.56Å; L15-P69 HydrophobicContact CG-CB 4.46Å; L15-P69 HydrophobicContact CG-CG 4.29Å; I40-P69 HydrophobicContact CB-CG 4.11Å; I40-P69 HydrophobicContact CD1-CG 3.88Å; I40-P69 VanDerWaalsContact CG2-CD 3.45Å; I40-P69 HydrophobicContact CG2-CG 4.21Å |
| 70 | P | 43.5 | Very low | 41.3 | Very low | 105 Ų | 105 | 57.1 Ų | 57.1 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -109 | 37.5 | 25.4 | 40.1 | -31.4 | 0 | 0 | 0 | 112.5 | ||
| 71 | M | 36.4 | Very low | 41.4 | Very low | 136 Ų | 136 | 63.7 Ų | 63.7 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | trans | -145.4 | 118.6 | -169.4 | -65.9 | -175.2 | -67.2 | 0 | 0 | 112.7 | P67 | P67-M71 WeakPolarHBondContact CB-O 3.3Å; P67-M71 WeakPolarHBondContact CG-O 3.31Å | ||
| 72 | A | 34.6 | Very low | 41.2 | Very low | 70 Ų | 70 | 63.2 Ų | 63.2 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | trans | 119 | 146.6 | 142.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | P67 T74 | P67-A72 HydrophobicContact CG-CB 3.68Å; A72-T74 PolarHBondContact O-N 3.45Å | ||
| 73 | L | 37.4 | Very low | 40.7 | Very low | 96 Ų | 96 | 65.7 Ų | 65.7 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | trans | -35.7 | 114.6 | 175.1 | -66.7 | 142.7 | 0 | 0 | 0 | 109.9 | D75 G92 | L73-D75 PolarHBondContact O-N 2.79Å; L73-G92 WeakPolarHBondContact CD2-O 3.49Å | ||
| 74 | T | 37.8 | Very low | 40.2 | Very low | 30 Ų | 30 | 67 Ų | 67 | 18% | 0.184 | 42% | 0.418 | C | S | . | . | trans | -80.2 | 117.1 | 168.4 | -49 | 0 | 0 | 0 | 0 | 106.5 | L64 S65 A72 F76 | L64-T74 HydrophobicContact CB-CG2 4.22Å; L64-T74 HydrophobicContact CD2-CG2 3.82Å; S65-T74 WeakPolarHBondContact O-CA 2.96Å; A72-T74 PolarHBondContact O-N 3.45Å; T74-F76 HydrophobicContact CG2-CD2 4.32Å; T74-F76 HydrophobicContact CG2-CE1 4.44Å; T74-F76 HydrophobicContact CG2-CE2 4Å; T74-F76 HydrophobicContact CG2-CZ 4.05Å; T74-F76 VanDerWaalsContact O-CD2 3.25Å; T74-F76 WeakPolarHBondContact O-CD2 3.46Å; T74-F76 WeakPolarHBondContact O-CE2 3.13Å; T74-F76 PolarHBondContact O-N 3.34Å | ||
| 75 | D | 38.6 | Very low | 39.6 | Very low | 74 Ų | 74 | 69.6 Ų | 69.6 | 40% | 0.396 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 115.9 | 167.4 | -76.7 | -30.8 | 0 | 0 | 0 | 107.5 | S65 L73 L90 | S65-D75 PolarHBondContact N-O 2.84Å; S65-D75 PolarHBondContact O-N 3.33Å; S65-D75 PolarHBondContact OG-O 2.81Å; L73-D75 PolarHBondContact O-N 2.79Å; D75-L90 VanDerWaalsContact CA-O 3.29Å; D75-L90 WeakPolarHBondContact CA-O 3.5Å |
| 76 | F | 42.8 | Very low | 39.1 | Very low | 5 Ų | 5 | 72 Ų | 72 | 2% | 0.022 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.8 | 170.7 | -55.4 | -106.4 | 0 | 0 | 0 | 108.5 | T4 M17 V19 L62 R63 L64 T74 A89 L90 | T4-F76 HydrophobicContact CG2-CE1 4.09Å; T4-F76 HydrophobicContact CG2-CE2 4Å; T4-F76 HydrophobicContact CG2-CZ 3.64Å; M17-F76 HydrophobicContact SD-CE1 3.86Å; M17-F76 HydrophobicContact SD-CZ 3.87Å; V19-F76 HydrophobicContact CG2-CE1 3.85Å; L62-F76 HydrophobicContact CD1-CB 4.24Å; L62-F76 HydrophobicContact CD1-CD1 3.86Å; L62-F76 HydrophobicContact CD2-CD1 4.17Å; L62-F76 HydrophobicContact CD2-CE1 4.47Å; L62-F76 HydrophobicContact CG-CD1 4.11Å; R63-F76 WeakPolarHBondContact O-CA 3.34Å; L64-F76 HydrophobicContact CD2-CD1 3.32Å; L64-F76 HydrophobicContact CD2-CE1 3.09Å; L64-F76 HydrophobicContact CD2-CG 4.32Å; L64-F76 HydrophobicContact CD2-CZ 3.93Å; T74-F76 HydrophobicContact CG2-CD2 4.32Å; T74-F76 HydrophobicContact CG2-CE1 4.44Å; T74-F76 HydrophobicContact CG2-CE2 4Å; T74-F76 HydrophobicContact CG2-CZ 4.05Å; T74-F76 VanDerWaalsContact O-CD2 3.25Å; T74-F76 WeakPolarHBondContact O-CD2 3.46Å; T74-F76 WeakPolarHBondContact O-CE2 3.13Å; T74-F76 PolarHBondContact O-N 3.34Å; F76-A89 CarbonylContact O-C 3.17Å; F76-A89 WeakPolarHBondContact O-CA 3.18Å; F76-L90 HydrophobicContact CB-CB 3.82Å; F76-L90 HydrophobicContact CB-CD1 3.68Å; F76-L90 HydrophobicContact CB-CG 3.92Å; F76-L90 HydrophobicContact CD2-CB 3.74Å; F76-L90 HydrophobicContact CD2-CD1 4.25Å; F76-L90 HydrophobicContact CG-CB 4.14Å; F76-L90 HydrophobicContact CG-CD1 4.02Å; F76-L90 PolarHBondContact N-O 3Å; F76-L90 VanDerWaalsContact N-O 3.16Å; F76-L90 PolarHBondContact O-N 3.49Å |
| 77 | A | 38.7 | Very low | 38.9 | Very low | 28 Ų | 28 | 74.1 Ų | 74.1 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | R63 V88 | R63-A77 HydrophobicContact CB-CB 4.33Å; R63-A77 PolarHBondContact N-O 2.96Å; R63-A77 VanDerWaalsContact N-O 3.15Å; R63-A77 PolarHBondContact O-N 2.9Å; A77-V88 WeakPolarHBondContact CA-O 3.46Å |
| 78 | M | 39.5 | Very low | 38.7 | Very low | 37 Ų | 37 | 73.6 Ų | 73.6 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122 | 170.4 | -168.4 | 172.5 | -170.7 | 0 | 0 | 109 | V21 L23 Y60 E61 V88 | V21-M78 HydrophobicContact CG1-CE 4.36Å; L23-M78 HydrophobicContact CD2-CE 4.1Å; Y60-M78 HydrophobicContact CD1-CE 3.12Å; Y60-M78 HydrophobicContact CD1-CG 3.84Å; Y60-M78 HydrophobicContact CD1-SD 4.18Å; Y60-M78 HydrophobicContact CD2-CE 4.03Å; Y60-M78 HydrophobicContact CE1-CE 3.49Å; Y60-M78 VanDerWaalsContact CE1-CE 3.49Å; Y60-M78 HydrophobicContact CE2-CE 4.35Å; Y60-M78 HydrophobicContact CG-CE 3.4Å; E61-M78 WeakPolarHBondContact O-CA 3.47Å; M78-V88 PolarHBondContact N-O 3.34Å |
| 79 | R | 41.8 | Very low | 38.1 | Very low | 133 Ų | 133 | 74.8 Ų | 74.8 | 50% | 0.502 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.9 | 171.7 | -73.3 | -177.2 | 168 | 177.6 | -4.5 | 110 | Y60 E61 | Y60-R79 WeakPolarHBondContact CA-O 3.38Å; E61-R79 PolarHBondContact N-O 2.73Å; E61-R79 PolarHBondContact O-N 2.87Å |
| 80 | S | 39.9 | Very low | 37.7 | Very low | 21 Ų | 21 | 74.4 Ų | 74.4 | 15% | 0.147 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.4 | 166.3 | 171.7 | 0 | 0 | 0 | 0 | 108.8 | A82 V85 | S80-A82 PolarHBondContact O-N 3.27Å; S80-A82 PolarHBondContact OG-N 3.5Å; S80-A82 VanDerWaalsContact OG-N 3.09Å; S80-A82 PolarHBondContact OG-O 2.99Å; S80-V85 VanDerWaalsContact CB-CG2 3.44Å |
| 81 | Q | 46.3 | Very low | 37.1 | Very low | 174 Ų | 174 | 74 Ų | 74 | 81% | 0.813 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -75.4 | -9.6 | 170.8 | -75.6 | -165.8 | -19.7 | 0 | 0 | 113.5 | ||
| 82 | A | 40.4 | Very low | 36.8 | Very low | 44 Ų | 44 | 68.7 Ų | 68.7 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -103.1 | 101 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q58 S80 | Q58-A82 HydrophobicContact CG-CB 4.33Å; S80-A82 PolarHBondContact O-N 3.27Å; S80-A82 PolarHBondContact OG-N 3.5Å; S80-A82 VanDerWaalsContact OG-N 3.09Å; S80-A82 PolarHBondContact OG-O 2.99Å |
| 83 | G | 38.2 | Very low | 36.5 | Very low | 63 Ų | 63 | 74 Ų | 74 | 65% | 0.649 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 60.2 | 105.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | V85 | G83-V85 VanDerWaalsContact C-N 3.31Å; G83-V85 VanDerWaalsContact O-CG2 3.28Å; G83-V85 WeakPolarHBondContact O-CG2 3.49Å; G83-V85 PolarHBondContact O-N 2.77Å |
| 84 | A | 34.5 | Very low | 36.4 | Very low | 113 Ų | 113 | 76 Ų | 76 | 93% | 0.934 | 46% | 0.457 | S | S | * | . | trans | 31.6 | 50.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 85 | V | 36.9 | Very low | 36.1 | Very low | 72 Ų | 72 | 82.4 Ų | 82.4 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | trans | -86.6 | 130 | 171.7 | -169 | 0 | 0 | 0 | 0 | 107.7 | S80 G83 S87 | S80-V85 VanDerWaalsContact CB-CG2 3.44Å; G83-V85 VanDerWaalsContact C-N 3.31Å; G83-V85 VanDerWaalsContact O-CG2 3.28Å; G83-V85 WeakPolarHBondContact O-CG2 3.49Å; G83-V85 PolarHBondContact O-N 2.77Å; V85-S87 PolarHBondContact O-N 3.42Å | ||
| 86 | P | 31.4 | Very low | 35.9 | Very low | 97 Ų | 97 | 84.4 Ų | 84.4 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | trans | -56.1 | 135.8 | -176.3 | 20.2 | -31.9 | 0 | 0 | 0 | 110.9 | V88 | P86-V88 PolarHBondContact O-N 3.23Š| ||
| 87 | S | 33.8 | Very low | 35.3 | Very low | 82 Ų | 82 | 93.4 Ų | 93.4 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | trans | -62 | 105.8 | 169.6 | -67.7 | 0 | 0 | 0 | 0 | 107.8 | V85 A89 | V85-S87 PolarHBondContact O-N 3.42Å; S87-A89 PolarHBondContact O-N 3.17Å | ||
| 88 | V | 32.7 | Very low | 34.9 | Very low | 64 Ų | 64 | 98.7 Ų | 98.7 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 110.5 | 173.3 | -176 | 0 | 0 | 0 | 0 | 106.6 | A77 M78 P86 L90 | A77-V88 WeakPolarHBondContact CA-O 3.46Å; M78-V88 PolarHBondContact N-O 3.34Å; P86-V88 PolarHBondContact O-N 3.23Å; V88-L90 HydrophobicContact CG1-CD2 3.55Å; V88-L90 HydrophobicContact CG1-CG 4.18Å |
| 89 | A | 31.6 | Very low | 34.7 | Very low | 75 Ų | 75 | 102.2 Ų | 102.2 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108 | F76 S87 | F76-A89 CarbonylContact O-C 3.17Å; F76-A89 WeakPolarHBondContact O-CA 3.18Å; S87-A89 PolarHBondContact O-N 3.17Å |
| 90 | L | 33.8 | Very low | 34.2 | Very low | 43 Ų | 43 | 101.9 Ų | 101.9 | 23% | 0.225 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 123 | 175.2 | -54.7 | 173.2 | 0 | 0 | 0 | 109.4 | I2 D75 F76 V88 | I2-L90 HydrophobicContact CB-CD1 4.22Å; I2-L90 HydrophobicContact CD1-CD1 3.63Å; I2-L90 HydrophobicContact CD1-CD2 4.35Å; I2-L90 HydrophobicContact CG2-CD1 3.93Å; D75-L90 VanDerWaalsContact CA-O 3.29Å; D75-L90 WeakPolarHBondContact CA-O 3.5Å; F76-L90 HydrophobicContact CB-CB 3.82Å; F76-L90 HydrophobicContact CB-CD1 3.68Å; F76-L90 HydrophobicContact CB-CG 3.92Å; F76-L90 HydrophobicContact CD2-CB 3.74Å; F76-L90 HydrophobicContact CD2-CD1 4.25Å; F76-L90 HydrophobicContact CG-CB 4.14Å; F76-L90 HydrophobicContact CG-CD1 4.02Å; F76-L90 PolarHBondContact N-O 3Å; F76-L90 VanDerWaalsContact N-O 3.16Å; F76-L90 PolarHBondContact O-N 3.49Å; V88-L90 HydrophobicContact CG1-CD2 3.55Å; V88-L90 HydrophobicContact CG1-CG 4.18Å |
| 91 | T | 31 | Very low | 33.9 | Very low | 97 Ų | 97 | 106.9 Ų | 106.9 | 60% | 0.595 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.5 | 114 | 169.3 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 92 | G | 31.8 | Very low | 33.2 | Very low | 25 Ų | 25 | 107.5 Ų | 107.5 | 26% | 0.258 | 64% | 0.636 | S | S | . | * | trans | -83.2 | 116.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L73 | L73-G92 WeakPolarHBondContact CD2-O 3.49Š| ||
| 93 | Q | 26.8 | Very low | 32.8 | Very low | 180 Ų | 180 | 111 Ų | 111 | 84% | 0.841 | 66% | 0.655 | S | S | * | * | trans | -83.3 | 121.4 | 169.4 | -74.6 | -160.1 | -25.2 | 0 | 0 | 110.9 | N95 | Q93-N95 PolarHBondContact O-N 2.92Š| ||
| 94 | K | 37.2 | Very low | 32.7 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 60% | 0.6 | 67% | 0.665 | S | S | * | * | trans | -70.5 | 115.1 | 173 | 178.8 | -175.7 | 178.5 | 180 | 0 | 110 | E96 | K94-E96 HydrophobicContact CG-CB 4.21Š| ||
| 95 | N | 30.8 | Very low | 32.7 | Very low | 165 Ų | 165 | 118.2 Ų | 118.2 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | trans | -108.1 | 91.1 | 158.7 | -98.3 | -29.6 | 0 | 0 | 0 | 107.8 | Q93 | Q93-N95 PolarHBondContact O-N 2.92Š| ||
| 96 | E | 34.9 | Very low | 32.3 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 54% | 0.542 | 68% | 0.682 | S | S | . | * | trans | -133 | 112.5 | 169.7 | -105.7 | -174.7 | 110.4 | 0 | 0 | 109.6 | K94 L98 | K94-E96 HydrophobicContact CG-CB 4.21Å; E96-L98 PolarHBondContact O-N 3.07Å | ||
| 97 | Q | 28.3 | Very low | 32.1 | Very low | 195 Ų | 195 | 123.7 Ų | 123.7 | 91% | 0.911 | 68% | 0.679 | S | S | * | * | trans | -70.5 | 108.3 | 159 | -174.6 | 173.9 | -23.8 | 0 | 0 | 106.9 | ||||
| 98 | L | 31.2 | Very low | 31.8 | Very low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 129 | 179.5 | -100.3 | 82.9 | 0 | 0 | 0 | 111.1 | E96 | E96-L98 PolarHBondContact O-N 3.07Š|
| 99 | P | 36.2 | Very low | 31.4 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -75 | 129.7 | 159.4 | 8.3 | 5 | 0 | 0 | 0 | 109.5 | ||
| 100 | T | 31 | Very low | 31.1 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 146.4 | 177.4 | 40.1 | 0 | 0 | 0 | 0 | 113.1 | Q102 | T100-Q102 PolarHBondContact O-N 3.43Š|
| 101 | P | 34.2 | Very low | 30.7 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 126.5 | -170.2 | 28 | -33.6 | 0 | 0 | 0 | 112.3 | ||
| 102 | Q | 30.6 | Very low | 30.7 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -112 | 142.2 | 160.7 | -85.6 | -169.4 | -28 | 0 | 0 | 110.5 | T100 | T100-Q102 PolarHBondContact O-N 3.43Š| ||
| 103 | P | 32.8 | Very low | 30.5 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -74.8 | 159.1 | -169.3 | 30.2 | -34.6 | 0 | 0 | 0 | 113.8 | ||||
| 104 | P | 35.8 | Very low | 30.7 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -78 | 130.3 | -159.5 | 31 | -33.5 | 0 | 0 | 0 | 113 | ||||
| 105 | K | 34.1 | Very low | 30.2 | Very low | 197 Ų | 197 | 146 Ų | 146 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -107 | 133.4 | 160.4 | -82.4 | -178 | 176.5 | 176.8 | 0 | 109.5 | ||||
| 106 | Q | 27.4 | Very low | 30.2 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -32.3 | 130.9 | 179.8 | -68.3 | 163.9 | -29.5 | 0 | 0 | 114.4 | ||||
| 107 | V | 28.5 | Very low | 29.8 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 57% | 0.57 | 78% | 0.775 | S | S | * | * | trans | -120.4 | 116.8 | 167.9 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 108 | F | 26.9 | Very low | 30 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -62.6 | 147.5 | 167.8 | -103.2 | -108.4 | 0 | 0 | 0 | 111.4 | A110 | F108-A110 PolarHBondContact O-N 3.29Š| ||
| 109 | A | 23.8 | Very low | 29.9 | Very low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -52.8 | 130 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 110 | A | 26 | Very low | 29.3 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -126.1 | 94.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F108 | F108-A110 PolarHBondContact O-N 3.29Š| ||
| 111 | I | 25.9 | Very low | 29 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | trans | -87.6 | 95.5 | 163.1 | -58.9 | 168.9 | 0 | 0 | 0 | 105.9 | ||||
| 112 | H | 30.3 | Very low | 28.8 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -148.6 | 107.7 | 173.6 | -83.2 | -69.9 | 0 | 0 | 0 | 114.7 | ||||
| 113 | S | 28.1 | Very low | 28.7 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 68.8 | 107.3 | 129.9 | -43.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 114 | F | 29.9 | Very low | 28.5 | Very low | 200 Ų | 200 | 151.2 Ų | 151.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -70 | 129.6 | 159.8 | -92 | -103.6 | 0 | 0 | 0 | 110.7 | ||||
| 115 | Q | 27.4 | Very low | 28.1 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -124.7 | 108.9 | 159.3 | -108.8 | -143.5 | 51.9 | 0 | 0 | 108.5 | ||||
| 116 | A | 30.1 | Very low | 27.7 | Very low | 69 Ų | 69 | 149.6 Ų | 149.6 | 57% | 0.57 | 79% | 0.789 | S | S | * | * | trans | -84.4 | 106.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | F118 | A116-F118 HydrophobicContact CB-CD2 3.92Å; A116-F118 HydrophobicContact CB-CE2 3.48Å; A116-F118 VanDerWaalsContact CB-CE2 3.48Å; A116-F118 HydrophobicContact CB-CZ 4.26Å; A116-F118 PolarHBondContact O-N 3.47Å | ||
| 117 | L | 27 | Very low | 27.7 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 60% | 0.602 | 78% | 0.783 | S | S | * | * | trans | -74.3 | 102 | 167 | -102.3 | 94 | 0 | 0 | 0 | 108.4 | F119 | L117-F119 HydrophobicContact CB-CE2 4.22Å; L117-F119 HydrophobicContact CD2-CE1 4.24Å; L117-F119 HydrophobicContact CD2-CE2 3.67Å; L117-F119 HydrophobicContact CD2-CZ 3.43Å; L117-F119 VanDerWaalsContact CD2-CZ 3.43Å | ||
| 118 | F | 31.8 | Very low | 27.7 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -90.5 | 114.5 | 164.6 | -70.8 | -81.9 | 0 | 0 | 0 | 108.8 | A116 | A116-F118 HydrophobicContact CB-CD2 3.92Å; A116-F118 HydrophobicContact CB-CE2 3.48Å; A116-F118 VanDerWaalsContact CB-CE2 3.48Å; A116-F118 HydrophobicContact CB-CZ 4.26Å; A116-F118 PolarHBondContact O-N 3.47Å | ||
| 119 | F | 29.6 | Very low | 27.7 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -85.8 | 112.1 | 166.4 | -68.2 | -83.3 | 0 | 0 | 0 | 108.6 | L117 | L117-F119 HydrophobicContact CB-CE2 4.22Å; L117-F119 HydrophobicContact CD2-CE1 4.24Å; L117-F119 HydrophobicContact CD2-CE2 3.67Å; L117-F119 HydrophobicContact CD2-CZ 3.43Å; L117-F119 VanDerWaalsContact CD2-CZ 3.43Å | ||
| 120 | K | 23.6 | Very low | 28 | Very low | 205 Ų | 205 | 151.5 Ų | 151.5 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -86.1 | 122.1 | 167.2 | -166.1 | 179.4 | -174 | -179.9 | 0 | 106.8 | ||||
| 121 | L | 24.7 | Very low | 28.2 | Very low | 140 Ų | 140 | 156.8 Ų | 156.8 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | -131.5 | 134 | 165.6 | -122.3 | 96.4 | 0 | 0 | 0 | 111.4 | ||||
| 122 | V | 30 | Very low | 28.4 | Very low | 211 Ų | 211 | 156.9 Ų | 156.9 | 100% | 1.279 | 80% | 0.797 | S | S | * | * | trans | -53.5 | 0 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 112 |
Retrieved 122 of 122 residues in 37.9 ms
(Link to these results)