| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.9 | Low | 61.6 | Low | 222 Ų | 222 | 116.3 Ų | 116.3 | 100% | 1.094 | 62% | 0.621 | S | S | * | * | 0 | 10.9 | 0 | -68.9 | 172.9 | 143.2 | 0 | 0 | 114.7 | |||||
| 2 | K | 57.8 | Low | 61.4 | Low | 193 Ų | 193 | 117.5 Ų | 117.5 | 84% | 0.839 | 63% | 0.627 | S | S | * | * | trans | -89.7 | -17.2 | -175.3 | -145.9 | 109.9 | 173.3 | -177.3 | 0 | 114.4 | P6 | K2-P6 WeakPolarHBondContact O-CD 3.14Š| ||
| 3 | I | 60 | Low | 61.2 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 65% | 0.646 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -96.8 | -23.2 | -172 | -52.4 | -172.7 | 0 | 0 | 0 | 112.3 | L5 P6 V7 | I3-L5 VanDerWaalsContact C-N 3.34Å; I3-L5 PolarHBondContact O-N 3.46Å; I3-P6 VanDerWaalsContact O-CD 3.23Å; I3-P6 WeakPolarHBondContact O-CD 3.17Å; I3-P6 VanDerWaalsContact O-CG 3.28Å; I3-P6 WeakPolarHBondContact O-CG 3.28Å; I3-V7 HydrophobicContact CG2-CG2 3.97Å; I3-V7 WeakPolarHBondContact O-CB 3.26Å; I3-V7 WeakPolarHBondContact O-CG2 3.23Å; I3-V7 PolarHBondContact O-N 2.89Å |
| 4 | F | 60.9 | Low | 60.6 | Low | 170 Ų | 170 | 115.1 Ų | 115.1 | 75% | 0.746 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.6 | -36.7 | 179 | -76.1 | -83.6 | 0 | 0 | 0 | 112.9 | L8 | F4-L8 VanDerWaalsContact O-CB 3.27Å; F4-L8 WeakPolarHBondContact O-CB 3.4Å; F4-L8 PolarHBondContact O-N 2.99Å |
| 5 | L | 62.2 | Low | 60.1 | Low | 99 Ų | 99 | 113.4 Ų | 113.4 | 52% | 0.518 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.4 | -49.6 | 179.9 | -164.8 | 75.1 | 0 | 0 | 0 | 113.1 | I3 V7 L8 L9 L126 | I3-L5 VanDerWaalsContact C-N 3.34Å; I3-L5 PolarHBondContact O-N 3.46Å; L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 2.76Å; L5-L9 PolarHBondContact O-N 3.17Å; L5-L126 HydrophobicContact CD1-CD1 4.46Å |
| 6 | P | 62.5 | Low | 59.4 | Low | 73 Ų | 73 | 117.9 Ų | 117.9 | 47% | 0.474 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.7 | -32.6 | 175.9 | 23.8 | -32.7 | 0 | 0 | 0 | 112.5 | K2 I3 A10 | K2-P6 WeakPolarHBondContact O-CD 3.14Å; I3-P6 VanDerWaalsContact O-CD 3.23Å; I3-P6 WeakPolarHBondContact O-CD 3.17Å; I3-P6 VanDerWaalsContact O-CG 3.28Å; I3-P6 WeakPolarHBondContact O-CG 3.28Å; P6-A10 VanDerWaalsContact O-CB 3.26Å; P6-A10 WeakPolarHBondContact O-CB 3.43Å; P6-A10 PolarHBondContact O-N 3.18Å |
| 7 | V | 67.4 | Low | 59 | Low | 89 Ų | 89 | 122.8 Ų | 122.8 | 54% | 0.539 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68 | -40.9 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | I3 L5 A10 A11 | I3-V7 HydrophobicContact CG2-CG2 3.97Å; I3-V7 WeakPolarHBondContact O-CB 3.26Å; I3-V7 WeakPolarHBondContact O-CG2 3.23Å; I3-V7 PolarHBondContact O-N 2.89Å; L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 3.41Å; V7-A10 PolarHBondContact O-N 3.4Å; V7-A11 WeakPolarHBondContact O-CB 3.19Å; V7-A11 PolarHBondContact O-N 3.46Å |
| 8 | L | 65.1 | Low | 58.6 | Low | 105 Ų | 105 | 122.1 Ų | 122.1 | 55% | 0.55 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.2 | -40.5 | 176.2 | -173.6 | 65.7 | 0 | 0 | 0 | 111.9 | F4 L5 A11 L12 | F4-L8 VanDerWaalsContact O-CB 3.27Å; F4-L8 WeakPolarHBondContact O-CB 3.4Å; F4-L8 PolarHBondContact O-N 2.99Å; L5-L8 PolarHBondContact O-N 2.76Å; L8-A11 PolarHBondContact O-N 2.98Å; L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 3.38Å |
| 9 | L | 62.6 | Low | 58.8 | Low | 80 Ų | 80 | 119.9 Ų | 119.9 | 42% | 0.419 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -62.5 | -43.7 | 173 | -107.8 | 76.6 | 0 | 0 | 0 | 111.4 | L5 A11 L12 L13 | L5-L9 PolarHBondContact O-N 3.17Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 2.88Å; L9-L12 PolarHBondContact O-N 3.5Å; L9-L13 HydrophobicContact CB-CD1 4.49Å; L9-L13 VanDerWaalsContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.27Å; L9-L13 PolarHBondContact O-N 2.89Å |
| 10 | A | 64.2 | Low | 59.7 | Low | 59 Ų | 59 | 116.1 Ų | 116.1 | 49% | 0.488 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P6 V7 L13 G14 | P6-A10 VanDerWaalsContact O-CB 3.26Å; P6-A10 WeakPolarHBondContact O-CB 3.43Å; P6-A10 PolarHBondContact O-N 3.18Å; V7-A10 PolarHBondContact O-N 3.4Å; A10-L13 PolarHBondContact O-N 3.48Å; A10-G14 VanDerWaalsContact O-CA 3.3Å; A10-G14 WeakPolarHBondContact O-CA 3.42Å; A10-G14 PolarHBondContact O-N 3.26Å |
| 11 | A | 63.7 | Low | 61.2 | Low | 63 Ų | 63 | 111.8 Ų | 111.8 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.3 | -36.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V7 L8 L9 | V7-A11 WeakPolarHBondContact O-CB 3.19Å; V7-A11 PolarHBondContact O-N 3.46Å; L8-A11 PolarHBondContact O-N 2.98Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 2.88Å |
| 12 | L | 59.3 | Low | 63.2 | Low | 131 Ų | 131 | 103.1 Ų | 103.1 | 69% | 0.686 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.5 | -34 | 175.6 | -71 | 167.7 | 0 | 0 | 0 | 112.7 | L8 L9 | L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 3.38Å; L9-L12 PolarHBondContact O-N 3.5Å |
| 13 | L | 59 | Low | 64.9 | Low | 144 Ų | 144 | 94 Ų | 94 | 75% | 0.754 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -84 | -24.1 | 178.2 | -68 | 165.8 | 0 | 0 | 0 | 112.7 | L9 A10 | L9-L13 HydrophobicContact CB-CD1 4.49Å; L9-L13 VanDerWaalsContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.27Å; L9-L13 PolarHBondContact O-N 2.89Å; A10-L13 PolarHBondContact O-N 3.48Å |
| 14 | G | 52.6 | Low | 66.6 | Low | 58 Ų | 58 | 89 Ų | 89 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | trans | -90.7 | 11.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | A10 E16 | A10-G14 VanDerWaalsContact O-CA 3.3Å; A10-G14 WeakPolarHBondContact O-CA 3.42Å; A10-G14 PolarHBondContact O-N 3.26Å; G14-E16 PolarHBondContact O-N 3.04Å | ||
| 15 | V | 53.9 | Low | 68.1 | Low | 89 Ų | 89 | 82.1 Ų | 82.1 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | trans | -77.8 | 81.9 | 166.2 | 176.3 | 0 | 0 | 0 | 0 | 107.6 | R17 | V15-R17 HydrophobicContact CG1-CG 4Å; V15-R17 PolarHBondContact O-N 3.03Å | ||
| 16 | E | 48.3 | Very low | 69.6 | Low | 186 Ų | 186 | 78.2 Ų | 78.2 | 87% | 0.869 | 46% | 0.462 | S | S | * | . | trans | -58.1 | 108.6 | 150.6 | -98.5 | -171.6 | 83.1 | 0 | 0 | 106.2 | G14 A18 | G14-E16 PolarHBondContact O-N 3.04Å; E16-A18 PolarHBondContact O-N 2.93Å | ||
| 17 | R | 52.9 | Low | 71 | Confident | 200 Ų | 200 | 81 Ų | 81 | 76% | 0.755 | 47% | 0.472 | S | S | * | . | trans | -70.5 | 80.7 | 177.8 | -68 | -81.9 | -179.5 | 114.6 | -2.5 | 107.9 | V15 S19 | V15-R17 HydrophobicContact CG1-CG 4Å; V15-R17 PolarHBondContact O-N 3.03Å; R17-S19 PolarHBondContact O-N 3.35Å | ||
| 18 | A | 51.9 | Low | 72 | Confident | 110 Ų | 110 | 82.5 Ų | 82.5 | 91% | 0.909 | 48% | 0.477 | S | S | * | . | trans | -73.2 | 38.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E16 | E16-A18 PolarHBondContact O-N 2.93Š| ||
| 19 | S | 61.9 | Low | 73.1 | Confident | 82 Ų | 82 | 80.8 Ų | 80.8 | 57% | 0.573 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -115 | 121.7 | -178.7 | -160.6 | 0 | 0 | 0 | 0 | 106.7 | R17 L21 | R17-S19 PolarHBondContact O-N 3.35Å; S19-L21 PolarHBondContact O-N 2.93Å |
| 20 | S | 77.9 | Confident | 74.2 | Confident | 42 Ų | 42 | 85.4 Ų | 85.4 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | trans | -51.5 | 130.6 | 174.1 | 42.2 | 0 | 0 | 0 | 0 | 109.5 | M22 I40 | S20-M22 PolarHBondContact O-N 3.09Å; S20-I40 VanDerWaalsContact OG-CG2 3.27Å; S20-I40 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 21 | L | 89.4 | Confident | 75.2 | Confident | 27 Ų | 27 | 84.5 Ų | 84.5 | 14% | 0.141 | 47% | 0.473 | C | S | . | . | trans | -56 | 140.6 | 179.9 | -177 | 67.6 | 0 | 0 | 0 | 108.9 | S19 C41 | S19-L21 PolarHBondContact O-N 2.93Å; L21-C41 HydrophobicContact CB-CB 4.29Å; L21-C41 WeakPolarHBondContact O-CA 3.39Å; L21-C41 WeakPolarHBondContact O-CB 3.45Å; L21-C41 PolarHBondContact O-N 3.3Å; L21-C41 PolarHBondContact O-SG 2.79Å | ||
| 22 | M | 93.1 | Very high | 76.2 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 20% | 0.197 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.1 | 170.1 | -161.1 | -171.6 | -148.3 | 0 | 0 | 108.9 | S20 P38 T39 I40 F96 L97 | S20-M22 PolarHBondContact O-N 3.09Å; M22-P38 HydrophobicContact CE-CB 3.63Å; M22-P38 HydrophobicContact CE-CG 4.35Å; M22-P38 HydrophobicContact SD-CB 3.98Å; M22-T39 WeakPolarHBondContact CA-O 3.04Å; M22-T39 WeakPolarHBondContact CG-O 3.38Å; M22-I40 HydrophobicContact CE-CG1 4.07Å; M22-I40 HydrophobicContact CG-CG1 4.49Å; M22-F96 HydrophobicContact CB-CD2 3.6Å; M22-F96 HydrophobicContact CB-CE1 4.21Å; M22-F96 HydrophobicContact CB-CE2 3.16Å; M22-F96 HydrophobicContact CB-CG 4.31Å; M22-F96 HydrophobicContact CB-CZ 3.5Å; M22-F96 HydrophobicContact CG-CE2 4.17Å; M22-F96 HydrophobicContact CG-CZ 4.06Å; M22-F96 HydrophobicContact SD-CE1 3.99Å; M22-F96 HydrophobicContact SD-CE2 4.07Å; M22-F96 HydrophobicContact SD-CZ 3.4Å; M22-F96 WeakPolarHBondContact SD-CZ 3.4Å; M22-L97 HydrophobicContact CB-CD2 4.32Å; M22-L97 HydrophobicContact CG-CD2 3.95Å; M22-L97 PolarHBondContact O-N 3.43Å; M22-L97 HydrophobicContact SD-CD2 4.04Å; M22-L97 HydrophobicContact SD-CG 4.47Å |
| 23 | C | 94.4 | Very high | 77.5 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 161.8 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 110 | P38 T39 C41 C48 | C23-P38 CarbonylContact O-C 3.59Å; C23-T39 PolarHBondContact N-O 3.11Å; C23-T39 PolarHBondContact O-N 2.03Å; C23-C41 PolarHBondContact SG-SG 3.13Å; C23-C48 HydrophobicContact CB-CB 3.73Å; C23-C48 WeakPolarHBondContact CB-SG 3.04Å; C23-C48 WeakPolarHBondContact SG-CA 3.49Å; C23-C48 WeakPolarHBondContact SG-CB 3.35Å; C23-C48 CovalentContact SG-SG 2.02Å; C23-C48 PolarHBondContact SG-SG 3.46Å |
| 24 | F | 95 | Very high | 78.9 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 10% | 0.096 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 138.7 | 162.3 | -66.2 | -66.8 | 0 | 0 | 0 | 110.1 | C35 L36 K37 P38 K69 L97 N99 F100 | F24-C35 WeakPolarHBondContact CB-O 3.36Å; F24-L36 VanDerWaalsContact CD1-CA 3.5Å; F24-L36 HydrophobicContact CD1-CB 4.2Å; F24-L36 HydrophobicContact CD1-CD2 4.22Å; F24-L36 HydrophobicContact CD2-CD2 4.09Å; F24-L36 HydrophobicContact CE1-CB 4.17Å; F24-L36 HydrophobicContact CE1-CD2 4.22Å; F24-L36 HydrophobicContact CE2-CD2 4.09Å; F24-L36 HydrophobicContact CG-CD2 4.14Å; F24-L36 HydrophobicContact CZ-CD2 4.16Å; F24-K37 CarbonylContact C-O 3.51Å; F24-K37 WeakPolarHBondContact CA-O 3.47Å; F24-P38 HydrophobicContact CD1-CB 4.36Å; F24-P38 HydrophobicContact CE1-CB 4.25Å; F24-K69 HydrophobicContact CB-CD 3.99Å; F24-K69 WeakPolarHBondContact O-CB 3.38Å; F24-L97 HydrophobicContact CD1-CD2 4.22Å; F24-L97 HydrophobicContact CD2-CB 4.33Å; F24-L97 HydrophobicContact CD2-CD2 4.24Å; F24-L97 HydrophobicContact CE1-CD2 4.06Å; F24-L97 HydrophobicContact CE2-CB 3.74Å; F24-L97 HydrophobicContact CE2-CD2 4.07Å; F24-L97 HydrophobicContact CE2-CG 4.34Å; F24-L97 HydrophobicContact CG-CD2 4.33Å; F24-L97 HydrophobicContact CZ-CB 4.14Å; F24-L97 HydrophobicContact CZ-CD1 4.15Å; F24-L97 HydrophobicContact CZ-CD2 3.99Å; F24-L97 HydrophobicContact CZ-CG 4.32Å; F24-N99 PolarHBondContact N-OD1 2.85Å; F24-N99 PolarHBondContact O-ND2 2.84Å; F24-F100 HydrophobicContact CD2-CB 4.32Å; F24-F100 HydrophobicContact CE2-CB 3.84Å; F24-F100 AromaticContact CE2-CD2 3.86Å; F24-F100 HydrophobicContact CE2-CD2 3.86Å; F24-F100 HydrophobicContact CE2-CG 4.36Å; F24-F100 HydrophobicContact CZ-CD2 4.15Å |
| 25 | S | 93.3 | Very high | 80.7 | Confident | 26 Ų | 26 | 81.8 Ų | 81.8 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 143.9 | 177.9 | 76.6 | 0 | 0 | 0 | 0 | 112.5 | K37 T39 K69 | S25-K37 PolarHBondContact N-O 3.32Å; S25-T39 WeakPolarHBondContact CB-OG1 3.2Å; S25-T39 PolarHBondContact OG-OG1 2.82Å; S25-K69 VanDerWaalsContact CA-O 3.27Å; S25-K69 WeakPolarHBondContact CA-O 3.49Å |
| 26 | C | 93.8 | Very high | 82.5 | Confident | 17 Ų | 17 | 79.9 Ų | 79.9 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | 161.1 | 174.5 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | Q29 C35 S68 K69 | C26-Q29 HydrophobicContact CB-CG 3.96Å; C26-C35 HydrophobicContact CB-CB 3.8Å; C26-C35 WeakPolarHBondContact CB-SG 3.32Å; C26-C35 VanDerWaalsContact SG-CA 3.59Å; C26-C35 WeakPolarHBondContact SG-CB 3.4Å; C26-C35 CovalentContact SG-SG 2.01Å; C26-C35 PolarHBondContact SG-SG 3.47Å; C26-S68 WeakPolarHBondContact O-CA 3.39Å; C26-K69 PolarHBondContact N-O 3.33Å; C26-K69 PolarHBondContact O-N 2.91Å; C26-K69 VanDerWaalsContact O-O 3.13Å; C26-K69 PolarHBondContact SG-N 3.14Å |
| 27 | L | 92.4 | Very high | 84.7 | Confident | 130 Ų | 130 | 77.8 Ų | 77.8 | 68% | 0.681 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.9 | 175.4 | -65.3 | 171.2 | 0 | 0 | 0 | 109.6 | Q29 | L27-Q29 VanDerWaalsContact C-N 3.3Å; L27-Q29 PolarHBondContact O-N 2.92Å |
| 28 | N | 87.5 | Confident | 86.6 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 65% | 0.647 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52 | 41.7 | 168.5 | -60.5 | -40.3 | 0 | 0 | 0 | 114.8 | L67 S68 | N28-L67 PolarHBondContact N-O 2.97Å; N28-S68 PolarHBondContact N-OG 3.07Å |
| 29 | Q | 89.2 | Confident | 88.7 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 148.7 | 176.7 | -63.7 | -63.4 | -21.4 | 0 | 0 | 111.2 | C26 L27 C35 S66 L67 | C26-Q29 HydrophobicContact CB-CG 3.96Å; L27-Q29 VanDerWaalsContact C-N 3.3Å; L27-Q29 PolarHBondContact O-N 2.92Å; Q29-C35 WeakPolarHBondContact CB-SG 3.15Å; Q29-S66 CarbonylContact O-C 3.43Å; Q29-S66 WeakPolarHBondContact O-CA 3.46Å; Q29-L67 PolarHBondContact N-O 3.35Å; Q29-L67 WeakPolarHBondContact O-CB 3.04Å; Q29-L67 PolarHBondContact O-N 2.94Å |
| 30 | K | 85.6 | Confident | 90.2 | Very high | 176 Ų | 176 | 69.7 Ų | 69.7 | 77% | 0.765 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -84.5 | -15.9 | 178.3 | -64.6 | -173.1 | 176.9 | -178.4 | 0 | 113.9 | ||
| 31 | S | 83.3 | Confident | 90.9 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -138.6 | 143.8 | -175 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L33 Y34 | S31-L33 PolarHBondContact O-N 2.81Å; S31-L33 PolarHBondContact OG-N 3.01Å; S31-Y34 PolarHBondContact O-N 3.13Å |
| 32 | N | 86.1 | Confident | 91 | Very high | 35 Ų | 35 | 70 Ų | 70 | 19% | 0.187 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -58 | -33.6 | 176.6 | -172.7 | 60.7 | 0 | 0 | 0 | 112.9 | Y34 C35 L36 L67 K69 F100 A102 | N32-Y34 VanDerWaalsContact C-N 3.3Å; N32-Y34 PolarHBondContact O-N 2.88Å; N32-C35 CarbonylContact O-C 3.54Å; N32-C35 VanDerWaalsContact O-CA 3.27Å; N32-C35 WeakPolarHBondContact O-CA 3.27Å; N32-C35 VanDerWaalsContact O-CB 3.27Å; N32-C35 WeakPolarHBondContact O-CB 3.49Å; N32-C35 PolarHBondContact O-N 3.38Å; N32-L36 WeakPolarHBondContact O-CG 3.28Å; N32-L67 HydrophobicContact CB-CD2 4.16Å; N32-K69 WeakPolarHBondContact OD1-CE 3.45Å; N32-K69 PolarHBondContact OD1-NZ 2.79Å; N32-F100 PolarHBondContact ND2-O 2.02Å; N32-F100 PolarHBondContact OD1-O 2.98Å; N32-F100 VanDerWaalsContact OD1-O 3.1Å; N32-A102 PolarHBondContact OD1-N 2.84Å |
| 33 | L | 86.6 | Confident | 90.8 | Very high | 132 Ų | 132 | 74.3 Ų | 74.3 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -59.5 | -40 | -179.8 | -77 | 148.7 | 0 | 0 | 0 | 112.2 | S31 C35 | S31-L33 PolarHBondContact O-N 2.81Å; S31-L33 PolarHBondContact OG-N 3.01Å; L33-C35 PolarHBondContact O-N 2.91Å |
| 34 | Y | 87.6 | Confident | 90.6 | Very high | 172 Ų | 172 | 81 Ų | 81 | 68% | 0.675 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -77.6 | -3.1 | 175.4 | -55.7 | -60.8 | 0 | 0 | 0 | 112.9 | S31 N32 | S31-Y34 PolarHBondContact O-N 3.13Å; N32-Y34 VanDerWaalsContact C-N 3.3Å; N32-Y34 PolarHBondContact O-N 2.88Å |
| 35 | C | 90.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -109.2 | 22.8 | 178.6 | -86.7 | 0 | 0 | 0 | 0 | 113.1 | F24 C26 Q29 N32 L33 L67 K69 | F24-C35 WeakPolarHBondContact CB-O 3.36Å; C26-C35 HydrophobicContact CB-CB 3.8Å; C26-C35 WeakPolarHBondContact CB-SG 3.32Å; C26-C35 VanDerWaalsContact SG-CA 3.59Å; C26-C35 WeakPolarHBondContact SG-CB 3.4Å; C26-C35 CovalentContact SG-SG 2.01Å; C26-C35 PolarHBondContact SG-SG 3.47Å; Q29-C35 WeakPolarHBondContact CB-SG 3.15Å; N32-C35 CarbonylContact O-C 3.54Å; N32-C35 VanDerWaalsContact O-CA 3.27Å; N32-C35 WeakPolarHBondContact O-CA 3.27Å; N32-C35 VanDerWaalsContact O-CB 3.27Å; N32-C35 WeakPolarHBondContact O-CB 3.49Å; N32-C35 PolarHBondContact O-N 3.38Å; L33-C35 PolarHBondContact O-N 2.91Å; C35-L67 HydrophobicContact CB-CD2 3.98Å; C35-K69 HydrophobicContact CB-CD 4.14Å; C35-K69 PolarHBondContact O-NZ 2.89Å |
| 36 | L | 91.9 | Very high | 90.2 | Very high | 50 Ų | 50 | 84.3 Ų | 84.3 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | trans | -105.2 | 38 | 177.2 | -63.8 | 179 | 0 | 0 | 0 | 112.4 | F24 N32 P38 F100 | F24-L36 VanDerWaalsContact CD1-CA 3.5Å; F24-L36 HydrophobicContact CD1-CB 4.2Å; F24-L36 HydrophobicContact CD1-CD2 4.22Å; F24-L36 HydrophobicContact CD2-CD2 4.09Å; F24-L36 HydrophobicContact CE1-CB 4.17Å; F24-L36 HydrophobicContact CE1-CD2 4.22Å; F24-L36 HydrophobicContact CE2-CD2 4.09Å; F24-L36 HydrophobicContact CG-CD2 4.14Å; F24-L36 HydrophobicContact CZ-CD2 4.16Å; N32-L36 WeakPolarHBondContact O-CG 3.28Å; L36-P38 VanDerWaalsContact O-CD 3.31Å; L36-P38 WeakPolarHBondContact O-CD 2.9Å; L36-F100 HydrophobicContact CD1-CD2 4.36Å; L36-F100 HydrophobicContact CD1-CE2 3.73Å; L36-F100 HydrophobicContact CD1-CZ 4.38Å; L36-F100 HydrophobicContact CD2-CD2 3.56Å; L36-F100 HydrophobicContact CD2-CE2 3.81Å; L36-F100 HydrophobicContact CD2-CG 4.34Å; L36-F100 HydrophobicContact CG-CE2 4.43Å | ||
| 37 | K | 94.6 | Very high | 90.1 | Very high | 141 Ų | 141 | 86.7 Ų | 86.7 | 61% | 0.613 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.8 | 172.8 | -174.6 | -169.6 | 175.3 | -160.5 | 0 | 109.7 | F24 S25 | F24-K37 CarbonylContact C-O 3.51Å; F24-K37 WeakPolarHBondContact CA-O 3.47Å; S25-K37 PolarHBondContact N-O 3.32Å |
| 38 | P | 93.8 | Very high | 90.1 | Very high | 67 Ų | 67 | 80.5 Ų | 80.5 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 140.1 | -179.7 | 32.7 | -36.9 | 0 | 0 | 0 | 110 | M22 C23 F24 L36 L97 | M22-P38 HydrophobicContact CE-CB 3.63Å; M22-P38 HydrophobicContact CE-CG 4.35Å; M22-P38 HydrophobicContact SD-CB 3.98Å; C23-P38 CarbonylContact O-C 3.59Å; F24-P38 HydrophobicContact CD1-CB 4.36Å; F24-P38 HydrophobicContact CE1-CB 4.25Å; L36-P38 VanDerWaalsContact O-CD 3.31Å; L36-P38 WeakPolarHBondContact O-CD 2.9Å; P38-L97 HydrophobicContact CB-CD2 4.06Å |
| 39 | T | 94.2 | Very high | 90.3 | Very high | 40 Ų | 40 | 75 Ų | 75 | 25% | 0.245 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 129.7 | -174.7 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | M22 C23 S25 | M22-T39 WeakPolarHBondContact CA-O 3.04Å; M22-T39 WeakPolarHBondContact CG-O 3.38Å; C23-T39 PolarHBondContact N-O 3.11Å; C23-T39 PolarHBondContact O-N 2.03Å; S25-T39 WeakPolarHBondContact CB-OG1 3.2Å; S25-T39 PolarHBondContact OG-OG1 2.82Å |
| 40 | I | 94.4 | Very high | 90.3 | Very high | 116 Ų | 116 | 71.8 Ų | 71.8 | 60% | 0.595 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.9 | 173.3 | -59.5 | 167.6 | 0 | 0 | 0 | 107.1 | S20 M22 | S20-I40 VanDerWaalsContact OG-CG2 3.27Å; S20-I40 WeakPolarHBondContact OG-CG2 3.45Å; M22-I40 HydrophobicContact CE-CG1 4.07Å; M22-I40 HydrophobicContact CG-CG1 4.49Å |
| 41 | C | 92.8 | Very high | 90.5 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 165.5 | 179.8 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | L21 C23 D45 C71 | L21-C41 HydrophobicContact CB-CB 4.29Å; L21-C41 WeakPolarHBondContact O-CA 3.39Å; L21-C41 WeakPolarHBondContact O-CB 3.45Å; L21-C41 PolarHBondContact O-N 3.3Å; L21-C41 PolarHBondContact O-SG 2.79Å; C23-C41 PolarHBondContact SG-SG 3.13Å; C41-D45 HydrophobicContact CB-CB 3.72Å; C41-C71 WeakPolarHBondContact CA-SG 2.97Å; C41-C71 HydrophobicContact CB-CB 3.51Å; C41-C71 WeakPolarHBondContact CB-SG 3.02Å; C41-C71 WeakPolarHBondContact SG-CB 3.44Å; C41-C71 CovalentContact SG-SG 2.03Å; C41-C71 PolarHBondContact SG-SG 3.05Å |
| 42 | S | 92.3 | Very high | 90.6 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 46% | 0.462 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 157.3 | 171.1 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | Q44 D45 | S42-Q44 PolarHBondContact O-N 2.9Å; S42-Q44 VanDerWaalsContact O-N 3.13Å; S42-D45 VanDerWaalsContact CB-OD2 3.32Å; S42-D45 WeakPolarHBondContact CB-OD2 3.34Å; S42-D45 PolarHBondContact N-OD2 3.02Å; S42-D45 VanDerWaalsContact N-OD2 3.11Å; S42-D45 WeakPolarHBondContact O-CB 3.49Å; S42-D45 PolarHBondContact O-N 3.37Å |
| 43 | D | 88.5 | Confident | 90.4 | Very high | 130 Ų | 130 | 65 Ų | 65 | 70% | 0.695 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.9 | 174.9 | -59 | -45.1 | 0 | 0 | 0 | 112.9 | ||
| 44 | Q | 88.8 | Confident | 90.1 | Very high | 140 Ų | 140 | 60.5 Ų | 60.5 | 65% | 0.654 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -17.7 | 175.2 | -56.6 | -60.9 | -29 | 0 | 0 | 112.6 | S42 N46 P73 | S42-Q44 PolarHBondContact O-N 2.9Å; S42-Q44 VanDerWaalsContact O-N 3.13Å; Q44-N46 PolarHBondContact O-N 3.47Å; Q44-N46 PolarHBondContact O-ND2 3.35Å; Q44-N46 VanDerWaalsContact O-ND2 3.09Å; Q44-P73 VanDerWaalsContact O-CA 3.28Å; Q44-P73 WeakPolarHBondContact O-CA 3.28Å; Q44-P73 VanDerWaalsContact O-CB 3.27Å; Q44-P73 WeakPolarHBondContact O-CB 3.35Å |
| 45 | D | 91.6 | Very high | 89.4 | Confident | 31 Ų | 31 | 54 Ų | 54 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | trans | -87.9 | 107.3 | -175.3 | -69 | -35.1 | 0 | 0 | 0 | 111.1 | C41 S42 C71 S72 P73 | C41-D45 HydrophobicContact CB-CB 3.72Å; S42-D45 VanDerWaalsContact CB-OD2 3.32Å; S42-D45 WeakPolarHBondContact CB-OD2 3.34Å; S42-D45 PolarHBondContact N-OD2 3.02Å; S42-D45 VanDerWaalsContact N-OD2 3.11Å; S42-D45 WeakPolarHBondContact O-CB 3.49Å; S42-D45 PolarHBondContact O-N 3.37Å; D45-C71 HydrophobicContact CB-CB 3.85Å; D45-C71 WeakPolarHBondContact OD2-CB 3.28Å; D45-S72 WeakPolarHBondContact CA-O 3.36Å; D45-S72 WeakPolarHBondContact OD1-CA 3.25Å; D45-P73 WeakPolarHBondContact OD1-CD 3.27Å | ||
| 46 | N | 89.3 | Confident | 88.2 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | trans | -103.7 | -0.6 | -176.5 | -67.2 | -71.8 | 0 | 0 | 0 | 113.4 | Q44 S72 Q94 | Q44-N46 PolarHBondContact O-N 3.47Å; Q44-N46 PolarHBondContact O-ND2 3.35Å; Q44-N46 VanDerWaalsContact O-ND2 3.09Å; N46-S72 PolarHBondContact N-O 3.35Å; N46-S72 VanDerWaalsContact N-O 3.13Å; N46-Q94 WeakPolarHBondContact O-CG 3.2Å | ||
| 47 | Y | 90.5 | Very high | 86.5 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 26% | 0.263 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 134.3 | -176 | -60.5 | -93.7 | 0 | 0 | 0 | 111.9 | C71 S72 P73 C75 C92 C93 Q94 | Y47-C71 CarbonylContact O-C 3.43Å; Y47-C71 WeakPolarHBondContact O-CA 3.09Å; Y47-S72 PolarHBondContact N-O 3.11Å; Y47-S72 PolarHBondContact O-N 3.08Å; Y47-P73 WeakPolarHBondContact CD2-O 3.05Å; Y47-P73 WeakPolarHBondContact CE2-O 3.02Å; Y47-C75 HydrophobicContact CD1-CB 4.03Å; Y47-C75 HydrophobicContact CE1-CB 4.27Å; Y47-C75 HydrophobicContact CG-CB 4.37Å; Y47-C92 HydrophobicContact CD1-CB 4.4Å; Y47-C93 WeakPolarHBondContact CA-O 3.04Å; Y47-Q94 HydrophobicContact CD1-CG 3.38Å; Y47-Q94 HydrophobicContact CE1-CG 3.4Å; Y47-Q94 VanDerWaalsContact CE1-CG 3.4Å; Y47-Q94 HydrophobicContact CG-CG 4.18Å; Y47-Q94 PolarHBondContact OH-NE2 3.4Å |
| 48 | C | 92.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.1 | 158 | -52.4 | 0 | 0 | 0 | 0 | 108.2 | C23 C92 C93 N99 | C23-C48 HydrophobicContact CB-CB 3.73Å; C23-C48 WeakPolarHBondContact CB-SG 3.04Å; C23-C48 WeakPolarHBondContact SG-CA 3.49Å; C23-C48 WeakPolarHBondContact SG-CB 3.35Å; C23-C48 CovalentContact SG-SG 2.02Å; C23-C48 PolarHBondContact SG-SG 3.46Å; C48-C92 VanDerWaalsContact O-CA 3.28Å; C48-C92 WeakPolarHBondContact O-CA 3.48Å; C48-C93 PolarHBondContact N-O 3.24Å; C48-C93 PolarHBondContact O-N 2.84Å; C48-N99 HydrophobicContact CB-CB 3.89Å |
| 49 | V | 91.9 | Very high | 82.9 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.3 | 179.7 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | V51 K69 T70 P76 I90 | V49-V51 HydrophobicContact CG1-CG2 4.11Å; V49-K69 CarbonylContact O-C 3.6Å; V49-K69 VanDerWaalsContact O-CA 3.28Å; V49-K69 WeakPolarHBondContact O-CA 3.12Å; V49-T70 HydrophobicContact CB-CG2 4.01Å; V49-T70 PolarHBondContact N-O 2.01Å; V49-T70 PolarHBondContact O-N 2.81Å; V49-P76 HydrophobicContact CG1-CG 4.26Å; V49-I90 HydrophobicContact CG1-CG2 4.22Å |
| 50 | T | 90.4 | Very high | 81 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.7 | 173.2 | -57.6 | 0 | 0 | 0 | 0 | 108.7 | L67 S68 K69 I90 S91 N99 A103 | T50-L67 HydrophobicContact CG2-CD1 3.59Å; T50-S68 WeakPolarHBondContact CA-O 3.49Å; T50-K69 HydrophobicContact CG2-CG 4Å; T50-I90 WeakPolarHBondContact O-CA 3.19Å; T50-S91 PolarHBondContact N-O 2.84Å; T50-S91 PolarHBondContact O-N 2.95Å; T50-N99 WeakPolarHBondContact OG1-CB 3.27Å; T50-A103 HydrophobicContact CG2-CB 4Å |
| 51 | V | 88.4 | Confident | 79.1 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 24% | 0.242 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.2 | 175.7 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | V49 T53 L67 S68 M88 G89 I90 | V49-V51 HydrophobicContact CG1-CG2 4.11Å; V51-T53 HydrophobicContact CG1-CG2 4.44Å; V51-L67 WeakPolarHBondContact O-CA 3.49Å; V51-S68 PolarHBondContact N-O 3.1Å; V51-S68 PolarHBondContact O-N 3.43Å; V51-M88 HydrophobicContact CG1-CG 4.37Å; V51-M88 HydrophobicContact CG1-SD 4.48Å; V51-G89 WeakPolarHBondContact CA-O 3.35Å; V51-I90 HydrophobicContact CG1-CG1 4.49Å; V51-I90 HydrophobicContact CG2-CG1 4.39Å |
| 52 | S | 86.6 | Confident | 77.7 | Confident | 23 Ų | 23 | 66.9 Ų | 66.9 | 16% | 0.161 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.9 | 173 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | H65 S66 M88 G89 | S52-H65 PolarHBondContact OG-CE1 3.46Å; S52-S66 WeakPolarHBondContact CA-O 3.19Å; S52-M88 CarbonylContact O-C 3.54Å; S52-M88 WeakPolarHBondContact O-CA 3.39Å; S52-G89 PolarHBondContact N-O 3.01Å; S52-G89 PolarHBondContact O-N 2.79Å |
| 53 | T | 82.3 | Confident | 76.3 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 28% | 0.282 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.1 | 171.2 | 53.1 | 0 | 0 | 0 | 0 | 108 | V51 H65 S66 S87 M88 | V51-T53 HydrophobicContact CG1-CG2 4.44Å; T53-H65 CarbonylContact O-C 3.55Å; T53-H65 VanDerWaalsContact O-CA 3.31Å; T53-H65 WeakPolarHBondContact O-CA 3.45Å; T53-H65 PolarHBondContact O-ND1 3.03Å; T53-H65 VanDerWaalsContact O-ND1 3.07Å; T53-S66 PolarHBondContact N-O 3.13Å; T53-S66 PolarHBondContact O-N 3Å; T53-S66 PolarHBondContact OG1-O 3.02Å; T53-S66 PolarHBondContact OG1-OG 3.03Å; T53-S87 CarbonylContact C-O 3.59Å; T53-S87 WeakPolarHBondContact CA-O 3.42Å; T53-M88 HydrophobicContact CG2-CB 4.22Å; T53-M88 HydrophobicContact CG2-CG 3.74Å; T53-M88 HydrophobicContact CG2-SD 3.86Å |
| 54 | S | 80.1 | Confident | 75.5 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 26% | 0.259 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.1 | 170.1 | 71.7 | 0 | 0 | 0 | 0 | 109.8 | G64 A86 S87 | S54-G64 CarbonylContact C-O 3.36Å; S54-G64 VanDerWaalsContact CA-O 3.26Å; S54-G64 WeakPolarHBondContact CA-O 3.4Å; S54-A86 CarbonylContact O-C 3.52Å; S54-A86 WeakPolarHBondContact O-CA 3.5Å; S54-S87 PolarHBondContact N-O 3.13Å; S54-S87 PolarHBondContact O-N 3.15Å; S54-S87 PolarHBondContact OG-OG 3.04Å |
| 55 | A | 72.9 | Confident | 75.2 | Confident | 36 Ų | 36 | 62 Ų | 62 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | T62 F63 G64 V85 | A55-T62 CarbonylContact O-C 3.39Å; A55-F63 PolarHBondContact O-N 3.04Å; A55-G64 PolarHBondContact N-O 2.88Å; A55-G64 PolarHBondContact O-N 2.85Å; A55-V85 CarbonylContact C-O 3.55Å; A55-V85 WeakPolarHBondContact CA-O 3.43Å |
| 56 | G | 64.1 | Low | 75 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 155.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V61 V85 | G56-V61 CarbonylContact C-O 3.52Å; G56-V61 WeakPolarHBondContact CA-O 3.37Å; G56-V85 PolarHBondContact N-O 2.96Å; G56-V85 CarbonylContact O-C 3.57Å; G56-V85 VanDerWaalsContact O-CA 3.24Å; G56-V85 WeakPolarHBondContact O-CA 3.42Å; G56-V85 VanDerWaalsContact O-O 3.12Å |
| 57 | I | 55.8 | Low | 75 | Confident | 100 Ų | 100 | 58.1 Ų | 58.1 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 105.7 | 170.8 | -64.2 | 162.6 | 0 | 0 | 0 | 107.3 | V61 F63 V85 | I57-V61 PolarHBondContact N-O 3.32Å; I57-F63 HydrophobicContact CB-CE2 4.31Å; I57-F63 HydrophobicContact CD1-CE2 3.55Å; I57-F63 HydrophobicContact CD1-CZ 3.83Å; I57-F63 HydrophobicContact CG1-CE2 3.7Å; I57-F63 HydrophobicContact CG1-CZ 4.47Å; I57-V85 HydrophobicContact CG1-CG1 4.31Å |
| 58 | G | 57.1 | Low | 75 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | -156 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L60 | G58-L60 PolarHBondContact O-N 2.87Š|
| 59 | N | 57.5 | Low | 75.1 | Confident | 180 Ų | 180 | 56.3 Ų | 56.3 | 96% | 0.963 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 11.6 | 178.8 | -140.4 | 5.7 | 0 | 0 | 0 | 113.1 | ||
| 60 | L | 52.4 | Low | 75.1 | Confident | 164 Ų | 164 | 59.5 Ų | 59.5 | 86% | 0.859 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -29.2 | -165.3 | -160.7 | 68.8 | 0 | 0 | 0 | 113.1 | G58 | G58-L60 PolarHBondContact O-N 2.87Š|
| 61 | V | 55.6 | Low | 75.3 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 39% | 0.388 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 116.7 | -176.8 | -156.4 | 0 | 0 | 0 | 0 | 110.5 | G56 I57 F63 | G56-V61 CarbonylContact C-O 3.52Å; G56-V61 WeakPolarHBondContact CA-O 3.37Å; I57-V61 PolarHBondContact N-O 3.32Å; V61-F63 HydrophobicContact CB-CE2 4.11Å; V61-F63 HydrophobicContact CB-CZ 4.26Å; V61-F63 HydrophobicContact CG1-CE1 4.14Å; V61-F63 HydrophobicContact CG1-CE2 4Å; V61-F63 HydrophobicContact CG1-CZ 3.76Å |
| 62 | T | 63.8 | Low | 75.5 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 64% | 0.638 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 109.6 | 172.9 | -50.3 | 0 | 0 | 0 | 0 | 109.3 | A55 | A55-T62 CarbonylContact O-C 3.39Å |
| 63 | F | 62.9 | Low | 75.7 | Confident | 134 Ų | 134 | 62.2 Ų | 62.2 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -25.3 | 179.1 | -67.7 | -78.2 | 0 | 0 | 0 | 113 | A55 I57 V61 | A55-F63 PolarHBondContact O-N 3.04Å; I57-F63 HydrophobicContact CB-CE2 4.31Å; I57-F63 HydrophobicContact CD1-CE2 3.55Å; I57-F63 HydrophobicContact CD1-CZ 3.83Å; I57-F63 HydrophobicContact CG1-CE2 3.7Å; I57-F63 HydrophobicContact CG1-CZ 4.47Å; V61-F63 HydrophobicContact CB-CE2 4.11Å; V61-F63 HydrophobicContact CB-CZ 4.26Å; V61-F63 HydrophobicContact CG1-CE1 4.14Å; V61-F63 HydrophobicContact CG1-CE2 4Å; V61-F63 HydrophobicContact CG1-CZ 3.76Å |
| 64 | G | 71.7 | Confident | 76.1 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 145 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | S54 A55 | S54-G64 CarbonylContact C-O 3.36Å; S54-G64 VanDerWaalsContact CA-O 3.26Å; S54-G64 WeakPolarHBondContact CA-O 3.4Å; A55-G64 PolarHBondContact N-O 2.88Å; A55-G64 PolarHBondContact O-N 2.85Å |
| 65 | H | 82.4 | Confident | 76.4 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 129.1 | 169.4 | 174.7 | 16.8 | 0 | 0 | 0 | 108.2 | S52 T53 | S52-H65 PolarHBondContact OG-CE1 3.46Å; T53-H65 CarbonylContact O-C 3.55Å; T53-H65 VanDerWaalsContact O-CA 3.31Å; T53-H65 WeakPolarHBondContact O-CA 3.45Å; T53-H65 PolarHBondContact O-ND1 3.03Å; T53-H65 VanDerWaalsContact O-ND1 3.07Å |
| 66 | S | 86.8 | Confident | 76.7 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 25% | 0.245 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.9 | 168.7 | 37.1 | 0 | 0 | 0 | 0 | 110.9 | Q29 S52 T53 | Q29-S66 CarbonylContact O-C 3.43Å; Q29-S66 WeakPolarHBondContact O-CA 3.46Å; S52-S66 WeakPolarHBondContact CA-O 3.19Å; T53-S66 PolarHBondContact N-O 3.13Å; T53-S66 PolarHBondContact O-N 3Å; T53-S66 PolarHBondContact OG1-O 3.02Å; T53-S66 PolarHBondContact OG1-OG 3.03Å |
| 67 | L | 89.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.3 | -179.2 | -177.5 | 69.8 | 0 | 0 | 0 | 108.2 | N28 Q29 N32 C35 T50 V51 | N28-L67 PolarHBondContact N-O 2.97Å; Q29-L67 PolarHBondContact N-O 3.35Å; Q29-L67 WeakPolarHBondContact O-CB 3.04Å; Q29-L67 PolarHBondContact O-N 2.94Å; N32-L67 HydrophobicContact CB-CD2 4.16Å; C35-L67 HydrophobicContact CB-CD2 3.98Å; T50-L67 HydrophobicContact CG2-CD1 3.59Å; V51-L67 WeakPolarHBondContact O-CA 3.49Å |
| 68 | S | 91.2 | Very high | 77.2 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.1 | 176.1 | -66.9 | 0 | 0 | 0 | 0 | 109 | C26 N28 T50 V51 | C26-S68 WeakPolarHBondContact O-CA 3.39Å; N28-S68 PolarHBondContact N-OG 3.07Å; T50-S68 WeakPolarHBondContact CA-O 3.49Å; V51-S68 PolarHBondContact N-O 3.1Å; V51-S68 PolarHBondContact O-N 3.43Å |
| 69 | K | 93.4 | Very high | 77 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 1% | 0.013 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.3 | 177.4 | -65.6 | -178.3 | -174.9 | 174.1 | 0 | 109.4 | F24 S25 C26 N32 C35 V49 T50 N99 F100 | F24-K69 HydrophobicContact CB-CD 3.99Å; F24-K69 WeakPolarHBondContact O-CB 3.38Å; S25-K69 VanDerWaalsContact CA-O 3.27Å; S25-K69 WeakPolarHBondContact CA-O 3.49Å; C26-K69 PolarHBondContact N-O 3.33Å; C26-K69 PolarHBondContact O-N 2.91Å; C26-K69 VanDerWaalsContact O-O 3.13Å; C26-K69 PolarHBondContact SG-N 3.14Å; N32-K69 WeakPolarHBondContact OD1-CE 3.45Å; N32-K69 PolarHBondContact OD1-NZ 2.79Å; C35-K69 HydrophobicContact CB-CD 4.14Å; C35-K69 PolarHBondContact O-NZ 2.89Å; V49-K69 CarbonylContact O-C 3.6Å; V49-K69 VanDerWaalsContact O-CA 3.28Å; V49-K69 WeakPolarHBondContact O-CA 3.12Å; T50-K69 HydrophobicContact CG2-CG 4Å; K69-N99 WeakPolarHBondContact CD-O 3.49Å; K69-N99 WeakPolarHBondContact CE-O 3.47Å; K69-N99 PolarHBondContact NZ-O 2.92Å; K69-F100 PolarHBondContact NZ-O 3.03Å |
| 70 | T | 93.4 | Very high | 76.8 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 162.4 | -176.7 | -168 | 0 | 0 | 0 | 0 | 112 | V49 | V49-T70 HydrophobicContact CB-CG2 4.01Å; V49-T70 PolarHBondContact N-O 2.01Å; V49-T70 PolarHBondContact O-N 2.81Å |
| 71 | C | 93.9 | Very high | 76.7 | Confident | 19 Ų | 19 | 65 Ų | 65 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 149.1 | 161.4 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | C41 D45 Y47 | C41-C71 WeakPolarHBondContact CA-SG 2.97Å; C41-C71 HydrophobicContact CB-CB 3.51Å; C41-C71 WeakPolarHBondContact CB-SG 3.02Å; C41-C71 WeakPolarHBondContact SG-CB 3.44Å; C41-C71 CovalentContact SG-SG 2.03Å; C41-C71 PolarHBondContact SG-SG 3.05Å; D45-C71 HydrophobicContact CB-CB 3.85Å; D45-C71 WeakPolarHBondContact OD2-CB 3.28Å; Y47-C71 CarbonylContact O-C 3.43Å; Y47-C71 WeakPolarHBondContact O-CA 3.09Å |
| 72 | S | 92.8 | Very high | 76.7 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 148.6 | 175.7 | -162.8 | 0 | 0 | 0 | 0 | 111.9 | D45 N46 Y47 A74 | D45-S72 WeakPolarHBondContact CA-O 3.36Å; D45-S72 WeakPolarHBondContact OD1-CA 3.25Å; N46-S72 PolarHBondContact N-O 3.35Å; N46-S72 VanDerWaalsContact N-O 3.13Å; Y47-S72 PolarHBondContact N-O 3.11Å; Y47-S72 PolarHBondContact O-N 3.08Å; S72-A74 VanDerWaalsContact C-N 3.27Å; S72-A74 WeakPolarHBondContact CB-O 3.48Å; S72-A74 PolarHBondContact O-N 3.18Å; S72-A74 PolarHBondContact OG-O 2.81Å |
| 73 | P | 91.1 | Very high | 76.2 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 49% | 0.494 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -72.2 | -22.4 | 174.2 | 29.9 | -36.4 | 0 | 0 | 0 | 112.7 | Q44 D45 Y47 | Q44-P73 VanDerWaalsContact O-CA 3.28Å; Q44-P73 WeakPolarHBondContact O-CA 3.28Å; Q44-P73 VanDerWaalsContact O-CB 3.27Å; Q44-P73 WeakPolarHBondContact O-CB 3.35Å; D45-P73 WeakPolarHBondContact OD1-CD 3.27Å; Y47-P73 WeakPolarHBondContact CD2-O 3.05Å; Y47-P73 WeakPolarHBondContact CE2-O 3.02Å |
| 74 | A | 89.8 | Confident | 75.8 | Confident | 58 Ų | 58 | 65 Ų | 65 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -137.9 | 149.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S72 P76 | S72-A74 VanDerWaalsContact C-N 3.27Å; S72-A74 WeakPolarHBondContact CB-O 3.48Å; S72-A74 PolarHBondContact O-N 3.18Å; S72-A74 PolarHBondContact OG-O 2.81Å; A74-P76 WeakPolarHBondContact O-CD 3.4Å |
| 75 | C | 86.4 | Confident | 75.2 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 118.3 | 170 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | Y47 L77 C92 | Y47-C75 HydrophobicContact CD1-CB 4.03Å; Y47-C75 HydrophobicContact CE1-CB 4.27Å; Y47-C75 HydrophobicContact CG-CB 4.37Å; C75-L77 PolarHBondContact O-N 2.02Å; C75-C92 VanDerWaalsContact CA-SG 3.55Å; C75-C92 HydrophobicContact CB-CB 3.58Å; C75-C92 WeakPolarHBondContact CB-SG 3.16Å; C75-C92 WeakPolarHBondContact SG-CB 3.34Å; C75-C92 CovalentContact SG-SG 2.02Å; C75-C92 PolarHBondContact SG-SG 2.89Å |
| 76 | P | 79.3 | Confident | 74.2 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 130.7 | 172.5 | 21.1 | -25.4 | 0 | 0 | 0 | 109.6 | V49 A74 I90 | V49-P76 HydrophobicContact CG1-CG 4.26Å; A74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-I90 HydrophobicContact CG-CG2 4.01Å |
| 77 | L | 67.9 | Low | 73.5 | Confident | 156 Ų | 156 | 66.9 Ų | 66.9 | 82% | 0.817 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 129.6 | 177.5 | -154.6 | 71.8 | 0 | 0 | 0 | 108.3 | C75 E79 | C75-L77 PolarHBondContact O-N 2.02Å; L77-E79 PolarHBondContact O-N 3.33Å |
| 78 | P | 61.8 | Low | 72.9 | Confident | 81 Ų | 81 | 70.4 Ų | 70.4 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | trans | -68.5 | 98.6 | -177.3 | 24.8 | -31.5 | 0 | 0 | 0 | 109.9 | G80 I90 | P78-G80 PolarHBondContact O-N 2.78Å; P78-I90 HydrophobicContact CB-CB 4.36Å | ||
| 79 | E | 53.1 | Low | 72.4 | Confident | 154 Ų | 154 | 70.6 Ų | 70.6 | 72% | 0.72 | 45% | 0.453 | S | S | * | . | trans | -73.4 | 82.7 | 153.2 | -61.9 | -160.4 | 152.4 | 0 | 0 | 106.2 | L77 I81 | L77-E79 PolarHBondContact O-N 3.33Å; E79-I81 HydrophobicContact CB-CG1 4.32Å; E79-I81 WeakPolarHBondContact O-CG1 3.37Å; E79-I81 PolarHBondContact O-N 2.94Å | ||
| 80 | G | 54.3 | Low | 72 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 56% | 0.557 | 46% | 0.463 | S | S | * | . | trans | -65.9 | 82.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P78 N82 | P78-G80 PolarHBondContact O-N 2.78Å; G80-N82 PolarHBondContact O-N 3.01Å; G80-N82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | I | 50.9 | Low | 71.7 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | trans | -84.3 | 88.5 | 179.4 | -16.5 | -177.4 | 0 | 0 | 0 | 107.9 | E79 V83 | E79-I81 HydrophobicContact CB-CG1 4.32Å; E79-I81 WeakPolarHBondContact O-CG1 3.37Å; E79-I81 PolarHBondContact O-N 2.94Å; I81-V83 HydrophobicContact CB-CG2 3.98Å; I81-V83 HydrophobicContact CG2-CG2 3.37Å; I81-V83 PolarHBondContact O-N 3.28Å | ||
| 82 | N | 53.7 | Low | 71.4 | Confident | 128 Ų | 128 | 72.1 Ų | 72.1 | 68% | 0.684 | 46% | 0.463 | S | S | * | . | trans | -75.7 | 81.1 | 164 | -83.7 | -35.3 | 0 | 0 | 0 | 108.3 | G80 G84 S87 | G80-N82 PolarHBondContact O-N 3.01Å; G80-N82 VanDerWaalsContact O-N 3.13Å; N82-G84 PolarHBondContact O-N 2.77Å; N82-S87 VanDerWaalsContact OD1-CB 3.28Å; N82-S87 WeakPolarHBondContact OD1-CB 3.5Å | ||
| 83 | V | 54.8 | Low | 71.3 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 59% | 0.594 | 46% | 0.464 | S | S | * | . | B | Isolated β-bridge | trans | -87.6 | 80.5 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | I81 V85 A86 | I81-V83 HydrophobicContact CB-CG2 3.98Å; I81-V83 HydrophobicContact CG2-CG2 3.37Å; I81-V83 PolarHBondContact O-N 3.28Å; V83-V85 PolarHBondContact O-N 3.18Å; V83-A86 PolarHBondContact N-O 3.15Å; V83-A86 VanDerWaalsContact N-O 3.13Å; V83-A86 PolarHBondContact O-N 2.79Å |
| 84 | G | 54.6 | Low | 71.1 | Confident | 76 Ų | 76 | 74 Ų | 74 | 78% | 0.784 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -50.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | N82 | N82-G84 PolarHBondContact O-N 2.77Š|
| 85 | V | 58.4 | Low | 71 | Confident | 81 Ų | 81 | 75 Ų | 75 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -7.8 | -177.6 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | A55 G56 I57 V83 | A55-V85 CarbonylContact C-O 3.55Å; A55-V85 WeakPolarHBondContact CA-O 3.43Å; G56-V85 PolarHBondContact N-O 2.96Å; G56-V85 CarbonylContact O-C 3.57Å; G56-V85 VanDerWaalsContact O-CA 3.24Å; G56-V85 WeakPolarHBondContact O-CA 3.42Å; G56-V85 VanDerWaalsContact O-O 3.12Å; I57-V85 HydrophobicContact CG1-CG1 4.31Å; V83-V85 PolarHBondContact O-N 3.18Å |
| 86 | A | 60.5 | Low | 71.1 | Confident | 49 Ų | 49 | 78 Ų | 78 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S54 V83 | S54-A86 CarbonylContact O-C 3.52Å; S54-A86 WeakPolarHBondContact O-CA 3.5Å; V83-A86 PolarHBondContact N-O 3.15Å; V83-A86 VanDerWaalsContact N-O 3.13Å; V83-A86 PolarHBondContact O-N 2.79Å |
| 87 | S | 72.8 | Confident | 71.6 | Confident | 44 Ų | 44 | 77.5 Ų | 77.5 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.4 | 172.5 | 81.1 | 0 | 0 | 0 | 0 | 110.1 | T53 S54 N82 | T53-S87 CarbonylContact C-O 3.59Å; T53-S87 WeakPolarHBondContact CA-O 3.42Å; S54-S87 PolarHBondContact N-O 3.13Å; S54-S87 PolarHBondContact O-N 3.15Å; S54-S87 PolarHBondContact OG-OG 3.04Å; N82-S87 VanDerWaalsContact OD1-CB 3.28Å; N82-S87 WeakPolarHBondContact OD1-CB 3.5Å |
| 88 | M | 75.9 | Confident | 72.7 | Confident | 75 Ų | 75 | 72.2 Ų | 72.2 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.2 | 176.7 | -174 | 163.4 | 71.4 | 0 | 0 | 109.5 | V51 S52 T53 | V51-M88 HydrophobicContact CG1-CG 4.37Å; V51-M88 HydrophobicContact CG1-SD 4.48Å; S52-M88 CarbonylContact O-C 3.54Å; S52-M88 WeakPolarHBondContact O-CA 3.39Å; T53-M88 HydrophobicContact CG2-CB 4.22Å; T53-M88 HydrophobicContact CG2-CG 3.74Å; T53-M88 HydrophobicContact CG2-SD 3.86Å |
| 89 | G | 80.7 | Confident | 74.1 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V51 S52 | V51-G89 WeakPolarHBondContact CA-O 3.35Å; S52-G89 PolarHBondContact N-O 3.01Å; S52-G89 PolarHBondContact O-N 2.79Å |
| 90 | I | 85.3 | Confident | 75.8 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129 | 174.9 | -58.8 | 177.9 | 0 | 0 | 0 | 107.8 | V49 T50 V51 P76 P78 | V49-I90 HydrophobicContact CG1-CG2 4.22Å; T50-I90 WeakPolarHBondContact O-CA 3.19Å; V51-I90 HydrophobicContact CG1-CG1 4.49Å; V51-I90 HydrophobicContact CG2-CG1 4.39Å; P76-I90 HydrophobicContact CG-CG2 4.01Å; P78-I90 HydrophobicContact CB-CB 4.36Å |
| 91 | S | 86.8 | Confident | 77 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 32% | 0.315 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.9 | 176.6 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | T50 | T50-S91 PolarHBondContact N-O 2.84Å; T50-S91 PolarHBondContact O-N 2.95Å |
| 92 | C | 89.6 | Confident | 77.9 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.4 | -178.3 | -55 | 0 | 0 | 0 | 0 | 111.9 | Y47 C48 C75 | Y47-C92 HydrophobicContact CD1-CB 4.4Å; C48-C92 VanDerWaalsContact O-CA 3.28Å; C48-C92 WeakPolarHBondContact O-CA 3.48Å; C75-C92 VanDerWaalsContact CA-SG 3.55Å; C75-C92 HydrophobicContact CB-CB 3.58Å; C75-C92 WeakPolarHBondContact CB-SG 3.16Å; C75-C92 WeakPolarHBondContact SG-CB 3.34Å; C75-C92 CovalentContact SG-SG 2.02Å; C75-C92 PolarHBondContact SG-SG 2.89Å |
| 93 | C | 89 | Confident | 78.4 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 24% | 0.243 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 160 | 174.6 | 57 | 0 | 0 | 0 | 0 | 111.2 | Y47 C48 C98 | Y47-C93 WeakPolarHBondContact CA-O 3.04Å; C48-C93 PolarHBondContact N-O 3.24Å; C48-C93 PolarHBondContact O-N 2.84Å; C93-C98 HydrophobicContact CB-CB 3.76Å; C93-C98 WeakPolarHBondContact CB-SG 3.28Å; C93-C98 WeakPolarHBondContact SG-CB 3.31Å; C93-C98 CovalentContact SG-SG 2.01Å; C93-C98 PolarHBondContact SG-SG 3.22Å |
| 94 | Q | 88.4 | Confident | 78.4 | Confident | 111 Ų | 111 | 60.8 Ų | 60.8 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | trans | -122.2 | 27.9 | -170 | -55.9 | -175.3 | -74.1 | 0 | 0 | 113 | N46 Y47 | N46-Q94 WeakPolarHBondContact O-CG 3.2Å; Y47-Q94 HydrophobicContact CD1-CG 3.38Å; Y47-Q94 HydrophobicContact CE1-CG 3.4Å; Y47-Q94 VanDerWaalsContact CE1-CG 3.4Å; Y47-Q94 HydrophobicContact CG-CG 4.18Å; Y47-Q94 PolarHBondContact OH-NE2 3.4Å | ||
| 95 | S | 86 | Confident | 78.4 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -121.9 | 155.7 | -178.4 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | L97 C98 | S95-L97 PolarHBondContact O-N 2.79Å; S95-C98 VanDerWaalsContact O-CB 3.25Å; S95-C98 WeakPolarHBondContact O-CB 3.32Å; S95-C98 PolarHBondContact O-N 3.12Å; S95-C98 VanDerWaalsContact O-N 3.11Å; S95-C98 PolarHBondContact O-SG 3.05Å |
| 96 | F | 88.9 | Confident | 77.8 | Confident | 116 Ų | 116 | 58.8 Ų | 58.8 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 122.6 | -179.1 | -163.8 | -91.6 | 0 | 0 | 0 | 110.9 | M22 C98 | M22-F96 HydrophobicContact CB-CD2 3.6Å; M22-F96 HydrophobicContact CB-CE1 4.21Å; M22-F96 HydrophobicContact CB-CE2 3.16Å; M22-F96 HydrophobicContact CB-CG 4.31Å; M22-F96 HydrophobicContact CB-CZ 3.5Å; M22-F96 HydrophobicContact CG-CE2 4.17Å; M22-F96 HydrophobicContact CG-CZ 4.06Å; M22-F96 HydrophobicContact SD-CE1 3.99Å; M22-F96 HydrophobicContact SD-CE2 4.07Å; M22-F96 HydrophobicContact SD-CZ 3.4Å; M22-F96 WeakPolarHBondContact SD-CZ 3.4Å; F96-C98 PolarHBondContact O-N 3.41Å; F96-C98 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 91.3 | Very high | 77 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 27.8 | -179.9 | -58.7 | 176.5 | 0 | 0 | 0 | 114.4 | M22 F24 P38 S95 N99 F100 | M22-L97 HydrophobicContact CB-CD2 4.32Å; M22-L97 HydrophobicContact CG-CD2 3.95Å; M22-L97 PolarHBondContact O-N 3.43Å; M22-L97 HydrophobicContact SD-CD2 4.04Å; M22-L97 HydrophobicContact SD-CG 4.47Å; F24-L97 HydrophobicContact CD1-CD2 4.22Å; F24-L97 HydrophobicContact CD2-CB 4.33Å; F24-L97 HydrophobicContact CD2-CD2 4.24Å; F24-L97 HydrophobicContact CE1-CD2 4.06Å; F24-L97 HydrophobicContact CE2-CB 3.74Å; F24-L97 HydrophobicContact CE2-CD2 4.07Å; F24-L97 HydrophobicContact CE2-CG 4.34Å; F24-L97 HydrophobicContact CG-CD2 4.33Å; F24-L97 HydrophobicContact CZ-CB 4.14Å; F24-L97 HydrophobicContact CZ-CD1 4.15Å; F24-L97 HydrophobicContact CZ-CD2 3.99Å; F24-L97 HydrophobicContact CZ-CG 4.32Å; P38-L97 HydrophobicContact CB-CD2 4.06Å; S95-L97 PolarHBondContact O-N 2.79Å; L97-N99 PolarHBondContact O-N 3.47Å; L97-F100 PolarHBondContact O-N 2.75Å |
| 98 | C | 90.3 | Very high | 75.8 | Confident | 45 Ų | 45 | 73.7 Ų | 73.7 | 30% | 0.304 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -65.7 | -23.6 | -175.4 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | C93 S95 F96 F100 | C93-C98 HydrophobicContact CB-CB 3.76Å; C93-C98 WeakPolarHBondContact CB-SG 3.28Å; C93-C98 WeakPolarHBondContact SG-CB 3.31Å; C93-C98 CovalentContact SG-SG 2.01Å; C93-C98 PolarHBondContact SG-SG 3.22Å; S95-C98 VanDerWaalsContact O-CB 3.25Å; S95-C98 WeakPolarHBondContact O-CB 3.32Å; S95-C98 PolarHBondContact O-N 3.12Å; S95-C98 VanDerWaalsContact O-N 3.11Å; S95-C98 PolarHBondContact O-SG 3.05Å; F96-C98 PolarHBondContact O-N 3.41Å; F96-C98 VanDerWaalsContact O-N 3.08Å; C98-F100 PolarHBondContact O-N 2.67Å; C98-F100 VanDerWaalsContact O-N 3.12Å |
| 99 | N | 90.8 | Very high | 74.5 | Confident | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -84.9 | 36.1 | 178.3 | 69.3 | -23.9 | 0 | 0 | 0 | 112.9 | F24 C48 T50 K69 L97 | F24-N99 PolarHBondContact N-OD1 2.85Å; F24-N99 PolarHBondContact O-ND2 2.84Å; C48-N99 HydrophobicContact CB-CB 3.89Å; T50-N99 WeakPolarHBondContact OG1-CB 3.27Å; K69-N99 WeakPolarHBondContact CD-O 3.49Å; K69-N99 WeakPolarHBondContact CE-O 3.47Å; K69-N99 PolarHBondContact NZ-O 2.92Å; L97-N99 PolarHBondContact O-N 3.47Å |
| 100 | F | 88.3 | Confident | 73.3 | Confident | 114 Ų | 114 | 74.4 Ų | 74.4 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -62.2 | -42.2 | 176.1 | 174.6 | -97.4 | 0 | 0 | 0 | 112.1 | F24 N32 L36 K69 L97 C98 | F24-F100 HydrophobicContact CD2-CB 4.32Å; F24-F100 HydrophobicContact CE2-CB 3.84Å; F24-F100 AromaticContact CE2-CD2 3.86Å; F24-F100 HydrophobicContact CE2-CD2 3.86Å; F24-F100 HydrophobicContact CE2-CG 4.36Å; F24-F100 HydrophobicContact CZ-CD2 4.15Å; N32-F100 PolarHBondContact ND2-O 2.02Å; N32-F100 PolarHBondContact OD1-O 2.98Å; N32-F100 VanDerWaalsContact OD1-O 3.1Å; L36-F100 HydrophobicContact CD1-CD2 4.36Å; L36-F100 HydrophobicContact CD1-CE2 3.73Å; L36-F100 HydrophobicContact CD1-CZ 4.38Å; L36-F100 HydrophobicContact CD2-CD2 3.56Å; L36-F100 HydrophobicContact CD2-CE2 3.81Å; L36-F100 HydrophobicContact CD2-CG 4.34Å; L36-F100 HydrophobicContact CG-CE2 4.43Å; K69-F100 PolarHBondContact NZ-O 3.03Å; L97-F100 PolarHBondContact O-N 2.75Å; C98-F100 PolarHBondContact O-N 2.67Å; C98-F100 VanDerWaalsContact O-N 3.12Å |
| 101 | S | 80.8 | Confident | 72 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 41% | 0.413 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -79.3 | 162.2 | 178.2 | -105.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 102 | A | 70.1 | Confident | 70.5 | Confident | 27 Ų | 27 | 79.4 Ų | 79.4 | 22% | 0.223 | 47% | 0.473 | C | S | . | . | trans | -61.6 | 168.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N32 D104 | N32-A102 PolarHBondContact OD1-N 2.84Å; A102-D104 PolarHBondContact O-N 2.75Å | ||
| 103 | A | 64 | Low | 69.1 | Low | 22 Ų | 22 | 83.6 Ų | 83.6 | 18% | 0.182 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -60.9 | 1.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | T50 G105 | T50-A103 HydrophobicContact CG2-CB 4Å; A103-G105 PolarHBondContact O-N 2.99Å |
| 104 | D | 54.8 | Low | 68 | Low | 140 Ų | 140 | 87.6 Ų | 87.6 | 75% | 0.749 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -73 | 87.6 | 169.9 | -65.9 | -42.8 | 0 | 0 | 0 | 110.3 | A102 G106 | A102-D104 PolarHBondContact O-N 2.75Å; D104-G106 PolarHBondContact O-N 2.59Å |
| 105 | G | 53 | Low | 66.9 | Low | 73 Ų | 73 | 83.8 Ų | 83.8 | 75% | 0.753 | 50% | 0.502 | S | S | * | . | trans | 25.5 | 67.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A103 | A103-G105 PolarHBondContact O-N 2.99Š| ||
| 106 | G | 46.4 | Very low | 66.2 | Low | 43 Ų | 43 | 82.1 Ų | 82.1 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | trans | -56.2 | 144.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D104 R108 | D104-G106 PolarHBondContact O-N 2.59Å; G106-R108 PolarHBondContact O-N 2.87Å | ||
| 107 | L | 43.6 | Very low | 65.4 | Low | 169 Ų | 169 | 78.5 Ų | 78.5 | 89% | 0.885 | 49% | 0.488 | S | S | * | . | trans | -55.4 | 108.1 | 178.6 | -166.4 | 72.4 | 0 | 0 | 0 | 109.5 | A109 | L107-A109 PolarHBondContact O-N 2.78Š| ||
| 108 | R | 48.1 | Very low | 64.5 | Low | 237 Ų | 237 | 81.7 Ų | 81.7 | 89% | 0.894 | 51% | 0.505 | S | S | * | . | trans | -68.4 | 80.5 | 169.2 | -70.7 | 177.3 | 92.3 | -147.2 | 9.6 | 107.7 | G106 S110 | G106-R108 PolarHBondContact O-N 2.87Å; R108-S110 PolarHBondContact O-N 2.81Å | ||
| 109 | A | 48 | Very low | 63.5 | Low | 68 Ų | 68 | 84.3 Ų | 84.3 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | trans | -67.8 | 101.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | L107 A111 | L107-A109 PolarHBondContact O-N 2.78Å; A109-A111 PolarHBondContact O-N 2.68Å | ||
| 110 | S | 55.3 | Low | 62.5 | Low | 52 Ų | 52 | 90.2 Ų | 90.2 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | trans | -60.7 | 111.3 | 178.5 | -35.7 | 0 | 0 | 0 | 0 | 108.4 | R108 T112 L113 L114 | R108-S110 PolarHBondContact O-N 2.81Å; S110-T112 WeakPolarHBondContact CB-OG1 3.17Å; S110-T112 PolarHBondContact O-N 3.07Å; S110-L113 WeakPolarHBondContact O-CB 3.24Å; S110-L113 PolarHBondContact O-N 2.63Å; S110-L114 PolarHBondContact O-N 2.82Å | ||
| 111 | A | 58.3 | Low | 61.7 | Low | 80 Ų | 80 | 88.4 Ų | 88.4 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -54 | -26.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A109 G115 | A109-A111 PolarHBondContact O-N 2.68Å; A111-G115 PolarHBondContact O-N 2.99Å |
| 112 | T | 55.5 | Low | 61 | Low | 111 Ų | 111 | 89.9 Ų | 89.9 | 68% | 0.681 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.3 | -38.6 | 172.7 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | S110 A116 | S110-T112 WeakPolarHBondContact CB-OG1 3.17Å; S110-T112 PolarHBondContact O-N 3.07Å; T112-A116 WeakPolarHBondContact O-CB 3.38Å; T112-A116 PolarHBondContact O-N 3.5Å |
| 113 | L | 61.4 | Low | 61 | Low | 125 Ų | 125 | 93.1 Ų | 93.1 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.7 | -40.6 | 178.1 | -70.7 | 172.2 | 0 | 0 | 0 | 111.2 | S110 G117 | S110-L113 WeakPolarHBondContact O-CB 3.24Å; S110-L113 PolarHBondContact O-N 2.63Å; L113-G117 PolarHBondContact O-N 3.39Å |
| 114 | L | 65.4 | Low | 61.2 | Low | 119 Ų | 119 | 95.8 Ų | 95.8 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.8 | -42.5 | 174.9 | -66.2 | 172.9 | 0 | 0 | 0 | 111.1 | S110 G117 L118 | S110-L114 PolarHBondContact O-N 2.82Å; L114-G117 PolarHBondContact O-N 2.86Å; L114-L118 PolarHBondContact O-N 2.84Å |
| 115 | G | 65.6 | Low | 61.7 | Low | 32 Ų | 32 | 91.9 Ų | 91.9 | 33% | 0.33 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.4 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A111 L118 L119 | A111-G115 PolarHBondContact O-N 2.99Å; G115-L118 PolarHBondContact O-N 3.3Å; G115-L119 WeakPolarHBondContact O-CB 3.26Å; G115-L119 WeakPolarHBondContact O-CG 3.31Å; G115-L119 PolarHBondContact O-N 2.69Å |
| 116 | A | 69.6 | Low | 62 | Low | 43 Ų | 43 | 93.1 Ų | 93.1 | 36% | 0.355 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T112 L119 L120 | T112-A116 WeakPolarHBondContact O-CB 3.38Å; T112-A116 PolarHBondContact O-N 3.5Å; A116-L119 PolarHBondContact O-N 2.75Å; A116-L120 WeakPolarHBondContact O-CB 3.46Å; A116-L120 WeakPolarHBondContact O-CD1 3.27Å; A116-L120 WeakPolarHBondContact O-CG 3.02Å; A116-L120 PolarHBondContact O-N 2.81Å |
| 117 | G | 73.6 | Confident | 62.7 | Low | 39 Ų | 39 | 97.9 Ų | 97.9 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.4 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L113 L114 S121 | L113-G117 PolarHBondContact O-N 3.39Å; L114-G117 PolarHBondContact O-N 2.86Å; G117-S121 PolarHBondContact O-N 2.87Å; G117-S121 VanDerWaalsContact O-N 3.15Å; G117-S121 PolarHBondContact O-OG 2.94Å |
| 118 | L | 72.4 | Confident | 63.5 | Low | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.1 | -45.6 | 174.1 | -136 | 86.3 | 0 | 0 | 0 | 111.1 | L114 G115 L120 S121 L122 | L114-L118 PolarHBondContact O-N 2.84Å; G115-L118 PolarHBondContact O-N 3.3Å; L118-L120 PolarHBondContact O-N 3.36Å; L118-S121 PolarHBondContact O-N 3.21Å; L118-S121 PolarHBondContact O-OG 2.01Å; L118-L122 HydrophobicContact CD2-CD1 4.14Å; L118-L122 HydrophobicContact CG-CD1 4.1Å; L118-L122 WeakPolarHBondContact O-CB 2.97Å; L118-L122 WeakPolarHBondContact O-CD1 3.36Å; L118-L122 PolarHBondContact O-N 3.32Å; L118-L122 VanDerWaalsContact O-N 3.07Å |
| 119 | L | 68.9 | Low | 63.7 | Low | 99 Ų | 99 | 98.6 Ų | 98.6 | 52% | 0.518 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.9 | -46.1 | 177.4 | -81.3 | 159.3 | 0 | 0 | 0 | 111.9 | G115 A116 S121 L122 L123 | G115-L119 WeakPolarHBondContact O-CB 3.26Å; G115-L119 WeakPolarHBondContact O-CG 3.31Å; G115-L119 PolarHBondContact O-N 2.69Å; A116-L119 PolarHBondContact O-N 2.75Å; L119-S121 VanDerWaalsContact C-N 3.29Å; L119-S121 PolarHBondContact O-N 3.33Å; L119-L122 PolarHBondContact O-N 3.21Å; L119-L123 HydrophobicContact CD2-CD1 4.35Å; L119-L123 WeakPolarHBondContact O-CB 3.27Å; L119-L123 WeakPolarHBondContact O-CD1 3.46Å; L119-L123 PolarHBondContact O-N 3.1Å |
| 120 | L | 69.4 | Low | 63.8 | Low | 129 Ų | 129 | 97.6 Ų | 97.6 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.2 | -28.9 | 179.3 | -80.6 | 159 | 0 | 0 | 0 | 113.5 | A116 L118 P124 | A116-L120 WeakPolarHBondContact O-CB 3.46Å; A116-L120 WeakPolarHBondContact O-CD1 3.27Å; A116-L120 WeakPolarHBondContact O-CG 3.02Å; A116-L120 PolarHBondContact O-N 2.81Å; L118-L120 PolarHBondContact O-N 3.36Å; L120-P124 WeakPolarHBondContact O-CD 3.47Å; L120-P124 WeakPolarHBondContact O-CG 3.39Å |
| 121 | S | 70.5 | Confident | 63.5 | Low | 76 Ų | 76 | 105 Ų | 105 | 53% | 0.531 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -82.5 | -31.4 | 177.1 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | G117 L118 L119 | G117-S121 PolarHBondContact O-N 2.87Å; G117-S121 VanDerWaalsContact O-N 3.15Å; G117-S121 PolarHBondContact O-OG 2.94Å; L118-S121 PolarHBondContact O-N 3.21Å; L118-S121 PolarHBondContact O-OG 2.01Å; L119-S121 VanDerWaalsContact C-N 3.29Å; L119-S121 PolarHBondContact O-N 3.33Å |
| 122 | L | 67.6 | Low | 63.8 | Low | 89 Ų | 89 | 106.3 Ų | 106.3 | 47% | 0.466 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -82.7 | -31.6 | 180 | -82.2 | 150.1 | 0 | 0 | 0 | 113.6 | L118 L119 A125 L126 | L118-L122 HydrophobicContact CD2-CD1 4.14Å; L118-L122 HydrophobicContact CG-CD1 4.1Å; L118-L122 WeakPolarHBondContact O-CB 2.97Å; L118-L122 WeakPolarHBondContact O-CD1 3.36Å; L118-L122 PolarHBondContact O-N 3.32Å; L118-L122 VanDerWaalsContact O-N 3.07Å; L119-L122 PolarHBondContact O-N 3.21Å; L122-A125 PolarHBondContact O-N 2.75Å; L122-L126 WeakPolarHBondContact O-CG 2.92Å; L122-L126 PolarHBondContact O-N 3.38Å; L122-L126 VanDerWaalsContact O-N 3.14Å |
| 123 | L | 70.3 | Confident | 64.2 | Low | 96 Ų | 96 | 106 Ų | 106 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.5 | -47.4 | -180 | -106.6 | 76.7 | 0 | 0 | 0 | 114.1 | L119 L126 L127 | L119-L123 HydrophobicContact CD2-CD1 4.35Å; L119-L123 WeakPolarHBondContact O-CB 3.27Å; L119-L123 WeakPolarHBondContact O-CD1 3.46Å; L119-L123 PolarHBondContact O-N 3.1Å; L123-L126 PolarHBondContact O-N 3.41Å; L123-L127 PolarHBondContact O-N 3.01Å; L123-L127 VanDerWaalsContact O-N 3.1Å |
| 124 | P | 67.5 | Low | 64.4 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 51% | 0.506 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.6 | -34.9 | -179.9 | -18.3 | 30.3 | 0 | 0 | 0 | 113.1 | L120 R128 | L120-P124 WeakPolarHBondContact O-CD 3.47Å; L120-P124 WeakPolarHBondContact O-CG 3.39Å; P124-R128 PolarHBondContact O-N 3.31Å |
| 125 | A | 65.4 | Low | 64.3 | Low | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.2 | -37.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L122 | L122-A125 PolarHBondContact O-N 2.75Å |
| 126 | L | 59.3 | Low | 64.2 | Low | 100 Ų | 100 | 108.6 Ų | 108.6 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.4 | -35.1 | 176.9 | -75.2 | 163.8 | 0 | 0 | 0 | 112.9 | L5 L122 L123 R128 F129 | L5-L126 HydrophobicContact CD1-CD1 4.46Å; L122-L126 WeakPolarHBondContact O-CG 2.92Å; L122-L126 PolarHBondContact O-N 3.38Å; L122-L126 VanDerWaalsContact O-N 3.14Å; L123-L126 PolarHBondContact O-N 3.41Å; L126-R128 VanDerWaalsContact C-N 3.26Å; L126-R128 PolarHBondContact O-N 3.28Å; L126-F129 PolarHBondContact O-N 3.26Å |
| 127 | L | 61.4 | Low | 63.9 | Low | 142 Ų | 142 | 113 Ų | 113 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.8 | -25.5 | 174.6 | -81.7 | 165 | 0 | 0 | 0 | 113 | L123 F129 | L123-L127 PolarHBondContact O-N 3.01Å; L123-L127 VanDerWaalsContact O-N 3.1Å; L127-F129 VanDerWaalsContact C-N 3.32Å |
| 128 | R | 59.8 | Low | 63.2 | Low | 229 Ų | 229 | 118.3 Ų | 118.3 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -10.5 | 177.6 | -145.3 | 177.7 | -179.4 | -161 | -0.4 | 113.8 | P124 L126 | P124-R128 PolarHBondContact O-N 3.31Å; L126-R128 VanDerWaalsContact C-N 3.26Å; L126-R128 PolarHBondContact O-N 3.28Å |
| 129 | F | 51.8 | Low | 62.5 | Low | 192 Ų | 192 | 118.6 Ų | 118.6 | 84% | 0.842 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 8.6 | 178 | -96.3 | -86.5 | 0 | 0 | 0 | 113.4 | L126 L127 | L126-F129 PolarHBondContact O-N 3.26Å; L127-F129 VanDerWaalsContact C-N 3.32Å |
| 130 | G | 51.1 | Low | 61.9 | Low | 48 Ų | 48 | 120.3 Ų | 120.3 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | trans | -79.6 | 139.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 131 | P | 48.9 | Very low | 61.2 | Low | 207 Ų | 207 | 119.5 Ų | 119.5 | 100% | 1.344 | 66% | 0.663 | S | S | * | * | trans | -64.7 | 0 | 178 | 30.3 | -35.8 | 0 | 0 | 0 | 113 |
Retrieved 131 of 131 residues in 95.3 ms
(Link to these results)