| 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 | V | 94.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 77.8 Ų | 77.8 | 56% | 0.564 | 38% | 0.378 | S | S | * | . | 0 | 123.6 | 0 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | V3 C87 H89 F90 E91 | V1-V3 HydrophobicContact CG1-CG2 4.49Å; V1-C87 HydrophobicContact CB-CB 4.48Å; V1-C87 HydrophobicContact CG2-CB 3.69Å; V1-H89 PolarHBondContact N-O 2.65Å; V1-F90 WeakPolarHBondContact O-CA 3.28Å; V1-E91 PolarHBondContact O-N 3.19Å | |||
| 2 | N | 94.9 | Very high | 96.2 | Very high | 56 Ų | 56 | 85.1 Ų | 85.1 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.3 | 178.7 | -168.4 | 1.9 | 0 | 0 | 0 | 110.7 | E91 G93 G94 D95 | N2-E91 WeakPolarHBondContact CA-O 3.44Å; N2-E91 HydrophobicContact CB-CG 3.64Å; N2-E91 WeakPolarHBondContact CB-OE1 3.45Å; N2-G93 PolarHBondContact OD1-N 3.39Å; N2-G94 PolarHBondContact ND2-O 3.33Å; N2-G94 PolarHBondContact OD1-N 3.07Å; N2-D95 PolarHBondContact ND2-O 3.48Å |
| 3 | V | 95.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 89 Ų | 89 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135 | 174 | 176.2 | 0 | 0 | 0 | 0 | 109 | V1 V22 L67 F90 E91 L92 G93 | V1-V3 HydrophobicContact CG1-CG2 4.49Å; V3-V22 HydrophobicContact CG1-CG1 4.23Å; V3-L67 HydrophobicContact CG1-CD1 3.98Å; V3-F90 HydrophobicContact CB-CE2 4.15Å; V3-F90 HydrophobicContact CB-CZ 4.32Å; V3-F90 HydrophobicContact CG2-CE2 3.69Å; V3-F90 HydrophobicContact CG2-CZ 4.33Å; V3-E91 PolarHBondContact N-O 3.28Å; V3-E91 VanDerWaalsContact N-O 3.12Å; V3-L92 HydrophobicContact CB-CD1 4.14Å; V3-L92 HydrophobicContact CG1-CD1 4.19Å; V3-L92 CarbonylContact O-C 3.5Å; V3-L92 WeakPolarHBondContact O-CA 3.36Å; V3-L92 WeakPolarHBondContact O-CD1 3.38Å; V3-G93 PolarHBondContact O-N 2.94Å |
| 4 | P | 96.5 | Very high | 96.1 | Very high | 70 Ų | 70 | 85.1 Ų | 85.1 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | trans | -66.1 | 150 | 178.4 | 28.3 | -36.3 | 0 | 0 | 0 | 112.1 | T6 | P4-T6 WeakPolarHBondContact CB-O 3.47Å; P4-T6 WeakPolarHBondContact CG-O 3.42Å; P4-T6 PolarHBondContact O-N 3.36Å | ||
| 5 | K | 96.7 | Very high | 96.1 | Very high | 126 Ų | 126 | 90.4 Ų | 90.4 | 55% | 0.548 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -68.7 | -16.3 | 175.8 | -70.2 | 175.4 | -176.2 | 173.4 | 0 | 113.1 | V22 L92 | K5-V22 PolarHBondContact O-N 3.12Å; K5-L92 WeakPolarHBondContact CE-O 3.4Å; K5-L92 HydrophobicContact CG-CD2 4.29Å; K5-L92 HydrophobicContact CG-CG 3.99Å |
| 6 | T | 95.9 | Very high | 96.1 | Very high | 100 Ų | 100 | 92 Ų | 92 | 61% | 0.613 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.1 | 177.2 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | P4 H20 | P4-T6 WeakPolarHBondContact CB-O 3.47Å; P4-T6 WeakPolarHBondContact CG-O 3.42Å; P4-T6 PolarHBondContact O-N 3.36Å; T6-H20 WeakPolarHBondContact CA-O 3.47Å |
| 7 | R | 96.1 | Very high | 96.2 | Very high | 80 Ų | 80 | 92.9 Ų | 92.9 | 30% | 0.302 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 130.6 | 175.5 | -171.1 | 173.2 | 67.1 | 171.9 | 2.8 | 111.1 | H20 V22 | R7-H20 PolarHBondContact N-O 3.39Å; R7-H20 PolarHBondContact O-N 2.86Å; R7-V22 HydrophobicContact CB-CG2 3.99Å |
| 8 | R | 97.2 | Very high | 96.2 | Very high | 187 Ų | 187 | 89.1 Ų | 89.1 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.8 | 170.2 | -165.9 | 173.4 | -177.3 | 135.6 | -0.3 | 109.1 | H17 Q18 | R8-H17 HydrophobicContact CG-CB 4.37Å; R8-Q18 WeakPolarHBondContact CA-O 3.35Å |
| 9 | T | 97.4 | Very high | 96.2 | Very high | 24 Ų | 24 | 87.4 Ų | 87.4 | 15% | 0.147 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 164.3 | -179.8 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | C11 H17 Q18 H20 L69 R80 | T9-C11 PolarHBondContact O-N 3.15Å; T9-H17 VanDerWaalsContact C-CD2 3.47Å; T9-H17 WeakPolarHBondContact O-CA 3.46Å; T9-Q18 PolarHBondContact N-O 3.39Å; T9-Q18 PolarHBondContact O-N 2.98Å; T9-Q18 VanDerWaalsContact O-O 3.09Å; T9-H20 HydrophobicContact CG2-CB 4.37Å; T9-H20 WeakPolarHBondContact CG2-ND1 3.47Å; T9-H20 PolarHBondContact O-CE1 3.02Å; T9-L69 HydrophobicContact CG2-CD1 4.33Å; T9-R80 PolarHBondContact OG1-NH2 3.45Å |
| 10 | Y | 97.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 83.2 Ų | 83.2 | 38% | 0.384 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128.6 | 179.3 | -173.2 | -101.1 | 0 | 0 | 0 | 111.9 | K12 K15 H17 R80 | Y10-K12 HydrophobicContact CD1-CG 4.42Å; Y10-K12 HydrophobicContact CE1-CG 4.19Å; Y10-K15 VanDerWaalsContact CE2-C 3.47Å; Y10-K15 WeakPolarHBondContact CE2-O 3.38Å; Y10-K15 WeakPolarHBondContact OH-CA 3.15Å; Y10-H17 PolarHBondContact N-CD2 2.77Å; Y10-H17 VanDerWaalsContact N-CD2 3.28Å; Y10-R80 PolarHBondContact O-NH2 3.41Å |
| 11 | C | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 85.2 Ų | 85.2 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.3 | 170.9 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | T9 K13 C14 K15 K16 Q18 C76 S78 | T9-C11 PolarHBondContact O-N 3.15Å; C11-K13 PolarHBondContact O-N 3.45Å; C11-C14 HydrophobicContact CB-CB 4.05Å; C11-C14 PolarHBondContact SG-N 3.45Å; C11-C14 VanDerWaalsContact SG-SG 3.7Å; C11-K15 WeakPolarHBondContact O-CA 3.4Å; C11-K15 PolarHBondContact O-N 2.82Å; C11-K16 PolarHBondContact N-O 3.32Å; C11-Q18 HydrophobicContact CB-CB 4.42Å; C11-C76 PolarHBondContact SG-SG 3.37Å; C11-S78 PolarHBondContact SG-OG 3.3Å |
| 12 | K | 95.5 | Very high | 96.6 | Very high | 165 Ų | 165 | 80.9 Ų | 80.9 | 72% | 0.717 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -34.6 | -179.2 | -67.9 | -172.3 | 174.8 | -169.6 | 0 | 113.4 | Y10 | Y10-K12 HydrophobicContact CD1-CG 4.42Å; Y10-K12 HydrophobicContact CE1-CG 4.19Å |
| 13 | K | 96 | Very high | 96.7 | Very high | 136 Ų | 136 | 80.2 Ų | 80.2 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -40.3 | -179 | 177.3 | 173.9 | 173.2 | -169.7 | 0 | 111.9 | C11 K15 N75 C76 | C11-K13 PolarHBondContact O-N 3.45Å; K13-K15 VanDerWaalsContact C-N 3.32Å; K13-N75 PolarHBondContact NZ-O 3.09Å; K13-C76 VanDerWaalsContact CB-SG 3.58Å; K13-C76 PolarHBondContact NZ-O 2.91Å |
| 14 | C | 95.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 83.8 Ų | 83.8 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -13 | 174.7 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | C11 K16 Q18 C76 | C11-C14 HydrophobicContact CB-CB 4.05Å; C11-C14 PolarHBondContact SG-N 3.45Å; C11-C14 VanDerWaalsContact SG-SG 3.7Å; C14-K16 HydrophobicContact CB-CG 3.96Å; C14-K16 PolarHBondContact O-N 3.46Å; C14-K16 VanDerWaalsContact O-N 3.07Å; C14-Q18 HydrophobicContact CB-CG 4.28Å; C14-C76 VanDerWaalsContact SG-CB 3.54Å; C14-C76 PolarHBondContact SG-SG 2.99Å |
| 15 | K | 95.6 | Very high | 96.8 | Very high | 165 Ų | 165 | 85.4 Ų | 85.4 | 72% | 0.717 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 21.4 | -173.2 | -57.2 | -179.8 | -178.7 | 178.7 | 0 | 114.9 | Y10 C11 K13 | Y10-K15 VanDerWaalsContact CE2-C 3.47Å; Y10-K15 WeakPolarHBondContact CE2-O 3.38Å; Y10-K15 WeakPolarHBondContact OH-CA 3.15Å; C11-K15 WeakPolarHBondContact O-CA 3.4Å; C11-K15 PolarHBondContact O-N 2.82Å; K13-K15 VanDerWaalsContact C-N 3.32Å |
| 16 | K | 96.3 | Very high | 96.8 | Very high | 116 Ų | 116 | 87.5 Ų | 87.5 | 50% | 0.504 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 166.7 | 179.4 | 64.7 | -179 | 171.1 | 171 | 0 | 112.2 | C11 C14 Q18 | C11-K16 PolarHBondContact N-O 3.32Å; C14-K16 HydrophobicContact CB-CG 3.96Å; C14-K16 PolarHBondContact O-N 3.46Å; C14-K16 VanDerWaalsContact O-N 3.07Å; K16-Q18 HydrophobicContact CG-CG 4.16Å; K16-Q18 PolarHBondContact O-N 3.49Å |
| 17 | H | 97.2 | Very high | 96.8 | Very high | 108 Ų | 108 | 89.4 Ų | 89.4 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 113.8 | 175.4 | -78.4 | 84.9 | 0 | 0 | 0 | 110.9 | R8 T9 Y10 | R8-H17 HydrophobicContact CG-CB 4.37Å; T9-H17 VanDerWaalsContact C-CD2 3.47Å; T9-H17 WeakPolarHBondContact O-CA 3.46Å; Y10-H17 PolarHBondContact N-CD2 2.77Å; Y10-H17 VanDerWaalsContact N-CD2 3.28Å |
| 18 | Q | 96.4 | Very high | 96.8 | Very high | 24 Ų | 24 | 88.1 Ų | 88.1 | 11% | 0.112 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 156.6 | 179 | -71.9 | -65.5 | 34.3 | 0 | 0 | 112 | R8 T9 C11 C14 K16 H20 E73 | R8-Q18 WeakPolarHBondContact CA-O 3.35Å; T9-Q18 PolarHBondContact N-O 3.39Å; T9-Q18 PolarHBondContact O-N 2.98Å; T9-Q18 VanDerWaalsContact O-O 3.09Å; C11-Q18 HydrophobicContact CB-CB 4.42Å; C14-Q18 HydrophobicContact CB-CG 4.28Å; K16-Q18 HydrophobicContact CG-CG 4.16Å; K16-Q18 PolarHBondContact O-N 3.49Å; Q18-H20 PolarHBondContact O-CE1 2.87Å; Q18-H20 PolarHBondContact O-ND1 2.81Å; Q18-E73 PolarHBondContact NE2-OE2 3.5Å |
| 19 | P | 97.5 | Very high | 96.8 | Very high | 57 Ų | 57 | 89.2 Ų | 89.2 | 37% | 0.37 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 135.2 | 166.7 | 26.9 | -31.5 | 0 | 0 | 0 | 110 | V72 | P19-V72 HydrophobicContact CB-CG2 4.38Å; P19-V72 HydrophobicContact CG-CB 4.3Å; P19-V72 WeakPolarHBondContact O-CG2 3.35Å; P19-V72 PolarHBondContact O-N 2.79Å; P19-V72 VanDerWaalsContact O-N 3.12Å |
| 20 | H | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 93.1 Ų | 93.1 | 1% | 0.014 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.4 | 175.1 | -67 | 67.1 | 0 | 0 | 0 | 110.1 | T6 R7 T9 Q18 L69 E70 | T6-H20 WeakPolarHBondContact CA-O 3.47Å; R7-H20 PolarHBondContact N-O 3.39Å; R7-H20 PolarHBondContact O-N 2.86Å; T9-H20 HydrophobicContact CG2-CB 4.37Å; T9-H20 WeakPolarHBondContact CG2-ND1 3.47Å; T9-H20 PolarHBondContact O-CE1 3.02Å; Q18-H20 PolarHBondContact O-CE1 2.87Å; Q18-H20 PolarHBondContact O-ND1 2.81Å; H20-L69 HydrophobicContact CB-CB 4.22Å; H20-E70 CarbonylContact C-O 3.52Å; H20-E70 WeakPolarHBondContact CA-O 3.36Å |
| 21 | K | 97.6 | Very high | 96.8 | Very high | 125 Ų | 125 | 92 Ų | 92 | 54% | 0.543 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.9 | 165.4 | -173.5 | 176.2 | -178.3 | 177 | 0 | 108.4 | L69 E70 | K21-L69 WeakPolarHBondContact O-CA 3.35Å; K21-E70 PolarHBondContact N-O 2.93Å; K21-E70 PolarHBondContact O-N 2.79Å |
| 22 | V | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 97 Ų | 97 | 1% | 0.012 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.8 | 179.7 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | V3 K5 R7 L67 L69 L92 | V3-V22 HydrophobicContact CG1-CG1 4.23Å; K5-V22 PolarHBondContact O-N 3.12Å; R7-V22 HydrophobicContact CB-CG2 3.99Å; V22-L67 HydrophobicContact CG1-CB 4.1Å; V22-L67 HydrophobicContact CG1-CD1 4.13Å; V22-L67 HydrophobicContact CG1-CD2 4.07Å; V22-L67 HydrophobicContact CG1-CG 4.32Å; V22-L69 HydrophobicContact CB-CD2 4.33Å; V22-L69 HydrophobicContact CG1-CD2 4.1Å; V22-L69 HydrophobicContact CG2-CD2 3.74Å; V22-L92 HydrophobicContact CB-CD1 4.32Å; V22-L92 HydrophobicContact CG1-CD1 3.88Å; V22-L92 WeakPolarHBondContact O-CD2 3.48Å |
| 23 | T | 97.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 98 Ų | 98 | 26% | 0.264 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 156.6 | 174.5 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | L67 R68 | T23-L67 CarbonylContact O-C 3.44Å; T23-L67 WeakPolarHBondContact O-CA 3.17Å; T23-R68 PolarHBondContact N-O 3.49Å; T23-R68 PolarHBondContact O-N 2.7Å; T23-R68 WeakPolarHBondContact OG1-CB 3.07Å; T23-R68 PolarHBondContact OG1-O 3.1Å; T23-R68 VanDerWaalsContact OG1-O 3.08Å |
| 24 | Q | 97.1 | Very high | 96.9 | Very high | 94 Ų | 94 | 93.9 Ų | 93.9 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.9 | 171.8 | -168 | -178 | 41.1 | 0 | 0 | 109.6 | I65 F90 | Q24-I65 HydrophobicContact CG-CG2 4.17Å; Q24-F90 HydrophobicContact CG-CE1 4.48Å |
| 25 | Y | 97.4 | Very high | 97.1 | Very high | 105 Ų | 105 | 98.2 Ų | 98.2 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | trans | -67.8 | 135.8 | 172.4 | 172 | -102 | 0 | 0 | 0 | 110.8 | V66 M81 | Y25-V66 VanDerWaalsContact CB-O 3.29Å; Y25-V66 WeakPolarHBondContact CB-O 3.46Å; Y25-V66 HydrophobicContact CD1-CB 4.39Å; Y25-V66 HydrophobicContact CG-CB 4.45Å; Y25-V66 HydrophobicContact CG-CG1 4.5Å; Y25-V66 PolarHBondContact N-O 2.84Å; Y25-M81 HydrophobicContact CD2-CE 3.54Å; Y25-M81 HydrophobicContact CD2-SD 3.98Å; Y25-M81 HydrophobicContact CE2-CE 3.9Å; Y25-M81 HydrophobicContact CG-CE 4.48Å; Y25-M81 HydrophobicContact CG-SD 4.38Å | ||
| 26 | K | 96.3 | Very high | 97.1 | Very high | 169 Ų | 169 | 92.6 Ų | 92.6 | 74% | 0.735 | 47% | 0.467 | S | S | * | . | trans | -118.2 | 138.1 | 168.5 | -66.8 | -175.2 | 177.5 | -178 | 0 | 108.8 | G28 | K26-G28 PolarHBondContact O-N 3.12Š| ||
| 27 | K | 96.3 | Very high | 97.2 | Very high | 141 Ų | 141 | 90.7 Ų | 90.7 | 61% | 0.613 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 133.7 | 172.7 | -168.8 | -165.2 | 171.2 | -164.8 | 0 | 108.4 | D30 | K27-D30 WeakPolarHBondContact CE-OD1 3.47Å; K27-D30 IonicContact NZ-OD1 2.84Å; K27-D30 PolarHBondContact NZ-OD1 2.88Å; K27-D30 IonicContact NZ-OD2 3.77Å; K27-D30 PolarHBondContact NZ-OD2 2.98Å |
| 28 | G | 96.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 92.4 Ų | 92.4 | 55% | 0.546 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 170.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K26 | K26-G28 PolarHBondContact O-N 3.12Š|
| 29 | K | 97.3 | Very high | 97.4 | Very high | 210 Ų | 210 | 97.6 Ų | 97.6 | 91% | 0.913 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 139.5 | 171.3 | -178.6 | 176.4 | 177.9 | -179.6 | 0 | 109.9 | ||
| 30 | D | 96.8 | Very high | 97.4 | Very high | 106 Ų | 106 | 98.6 Ų | 98.6 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 134.8 | 176.6 | -67.8 | -39 | 0 | 0 | 0 | 110.5 | K27 | K27-D30 WeakPolarHBondContact CE-OD1 3.47Å; K27-D30 IonicContact NZ-OD1 2.84Å; K27-D30 PolarHBondContact NZ-OD1 2.88Å; K27-D30 IonicContact NZ-OD2 3.77Å; K27-D30 PolarHBondContact NZ-OD2 2.98Å |
| 31 | S | 97.5 | Very high | 97.3 | Very high | 73 Ų | 73 | 101.4 Ų | 101.4 | 51% | 0.51 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 134.3 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 111 | Y33 | S31-Y33 VanDerWaalsContact C-N 3.33Å; S31-Y33 PolarHBondContact OG-N 3.3Å |
| 32 | L | 96.8 | Very high | 97.3 | Very high | 107 Ų | 107 | 104.4 Ų | 104.4 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -27.1 | 177.4 | -62.9 | 178.2 | 0 | 0 | 0 | 112.7 | K37 | L32-K37 WeakPolarHBondContact O-CG 3.39Š|
| 33 | Y | 96.4 | Very high | 97.3 | Very high | 187 Ų | 187 | 109.5 Ų | 109.5 | 73% | 0.733 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2.3 | -173.3 | -56.3 | -71.2 | 0 | 0 | 0 | 113.7 | S31 Q35 R38 | S31-Y33 VanDerWaalsContact C-N 3.33Å; S31-Y33 PolarHBondContact OG-N 3.3Å; Y33-Q35 PolarHBondContact O-N 2.77Å; Y33-R38 PolarHBondContact O-NE 3.29Å |
| 34 | A | 97.8 | Very high | 97.3 | Very high | 49 Ų | 49 | 110.3 Ų | 110.3 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -57.1 | 137.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G36 K37 R38 | A34-G36 PolarHBondContact O-N 2.79Å; A34-G36 VanDerWaalsContact O-N 3.1Å; A34-K37 PolarHBondContact O-N 2.96Å; A34-R38 PolarHBondContact O-N 2.86Å |
| 35 | Q | 98.3 | Very high | 97.3 | Very high | 126 Ų | 126 | 109.7 Ų | 109.7 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -52.3 | -39.9 | -174.5 | -171 | -169.5 | 17.1 | 0 | 0 | 112.8 | Y33 R39 | Y33-Q35 PolarHBondContact O-N 2.77Å; Q35-R39 WeakPolarHBondContact O-CB 3.41Å; Q35-R39 PolarHBondContact O-N 2.98Å |
| 36 | G | 97.5 | Very high | 97.3 | Very high | 46 Ų | 46 | 108 Ų | 108 | 47% | 0.474 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A34 Y40 | A34-G36 PolarHBondContact O-N 2.79Å; A34-G36 VanDerWaalsContact O-N 3.1Å; G36-Y40 WeakPolarHBondContact O-CB 3.47Å; G36-Y40 PolarHBondContact O-N 3.08Å |
| 37 | K | 98 | Very high | 97.2 | Very high | 77 Ų | 77 | 111.8 Ų | 111.8 | 34% | 0.335 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -46.5 | 177.6 | -179.2 | 52.5 | 173.9 | 161.3 | 0 | 110.9 | L32 A34 R39 Y40 D41 | L32-K37 WeakPolarHBondContact O-CG 3.39Å; A34-K37 PolarHBondContact O-N 2.96Å; K37-R39 VanDerWaalsContact C-N 3.3Å; K37-R39 PolarHBondContact O-N 2.85Å; K37-Y40 WeakPolarHBondContact O-CB 3.47Å; K37-Y40 PolarHBondContact O-N 3.21Å; K37-Y40 VanDerWaalsContact O-N 3.09Å; K37-D41 VanDerWaalsContact CD-OD2 3.28Å; K37-D41 WeakPolarHBondContact CD-OD2 3.45Å; K37-D41 WeakPolarHBondContact CE-OD1 3.49Å; K37-D41 WeakPolarHBondContact CE-OD2 3.27Å; K37-D41 IonicContact NZ-OD1 3.25Å; K37-D41 PolarHBondContact NZ-OD1 2.98Å; K37-D41 IonicContact NZ-OD2 2.7Å; K37-D41 PolarHBondContact NZ-OD2 3.42Å; K37-D41 PolarHBondContact O-N 3.47Å |
| 38 | R | 98.1 | Very high | 97.2 | Very high | 143 Ų | 143 | 108.7 Ų | 108.7 | 54% | 0.54 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -54.4 | -44.9 | 172.9 | -69.4 | -169.2 | -73.3 | 132.7 | -5.7 | 112.6 | Y33 A34 R42 | Y33-R38 PolarHBondContact O-NE 3.29Å; A34-R38 PolarHBondContact O-N 2.86Å; R38-R42 WeakPolarHBondContact O-CB 3.48Å; R38-R42 PolarHBondContact O-N 2.66Å; R38-R42 VanDerWaalsContact O-N 3.1Å |
| 39 | R | 98.3 | Very high | 97.2 | Very high | 134 Ų | 134 | 108.7 Ų | 108.7 | 51% | 0.506 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.9 | -42 | 176.9 | -173.1 | -171 | -62.9 | 141.8 | -0.6 | 112 | Q35 K37 K43 | Q35-R39 WeakPolarHBondContact O-CB 3.41Å; Q35-R39 PolarHBondContact O-N 2.98Å; K37-R39 VanDerWaalsContact C-N 3.3Å; K37-R39 PolarHBondContact O-N 2.85Å; R39-K43 WeakPolarHBondContact O-CB 3.16Å; R39-K43 PolarHBondContact O-N 2.96Å |
| 40 | Y | 97.8 | Very high | 97.2 | Very high | 77 Ų | 77 | 102.9 Ų | 102.9 | 30% | 0.302 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 178.1 | -178.3 | -83.7 | 0 | 0 | 0 | 111.1 | G36 K37 R42 K43 Q44 Q50 K52 | G36-Y40 WeakPolarHBondContact O-CB 3.47Å; G36-Y40 PolarHBondContact O-N 3.08Å; K37-Y40 WeakPolarHBondContact O-CB 3.47Å; K37-Y40 PolarHBondContact O-N 3.21Å; K37-Y40 VanDerWaalsContact O-N 3.09Å; Y40-R42 PolarHBondContact O-N 2.79Å; Y40-K43 WeakPolarHBondContact O-CB 3.09Å; Y40-K43 PolarHBondContact O-N 2.84Å; Y40-K43 VanDerWaalsContact O-N 3.1Å; Y40-Q44 HydrophobicContact CE1-CB 4.33Å; Y40-Q44 HydrophobicContact CE1-CG 4.38Å; Y40-Q44 WeakPolarHBondContact O-CB 3.4Å; Y40-Q44 PolarHBondContact O-N 2.89Å; Y40-Q50 PolarHBondContact OH-NE2 2.81Å; Y40-Q50 PolarHBondContact OH-OE1 3.44Å; Y40-K52 HydrophobicContact CD2-CB 4.35Å; Y40-K52 HydrophobicContact CD2-CG 3.88Å; Y40-K52 HydrophobicContact CE2-CB 3.69Å; Y40-K52 HydrophobicContact CE2-CG 3.72Å |
| 41 | D | 97.4 | Very high | 97.2 | Very high | 63 Ų | 63 | 99.7 Ų | 99.7 | 34% | 0.337 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | -177.7 | -65.8 | -21.3 | 0 | 0 | 0 | 111.6 | K37 K43 Q44 S45 | K37-D41 VanDerWaalsContact CD-OD2 3.28Å; K37-D41 WeakPolarHBondContact CD-OD2 3.45Å; K37-D41 WeakPolarHBondContact CE-OD1 3.49Å; K37-D41 WeakPolarHBondContact CE-OD2 3.27Å; K37-D41 IonicContact NZ-OD1 3.25Å; K37-D41 PolarHBondContact NZ-OD1 2.98Å; K37-D41 IonicContact NZ-OD2 2.7Å; K37-D41 PolarHBondContact NZ-OD2 3.42Å; K37-D41 PolarHBondContact O-N 3.47Å; D41-K43 VanDerWaalsContact C-N 3.29Å; D41-K43 PolarHBondContact O-N 2.88Å; D41-Q44 PolarHBondContact O-N 2.92Å; D41-S45 PolarHBondContact O-N 3.22Å |
| 42 | R | 97.3 | Very high | 97.2 | Very high | 187 Ų | 187 | 101.3 Ų | 101.3 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -33.7 | 172.2 | -173.5 | 176.9 | 67.2 | -162.3 | 5.9 | 113 | R38 Y40 Q44 S45 | R38-R42 WeakPolarHBondContact O-CB 3.48Å; R38-R42 PolarHBondContact O-N 2.66Å; R38-R42 VanDerWaalsContact O-N 3.1Å; Y40-R42 PolarHBondContact O-N 2.79Å; R42-Q44 VanDerWaalsContact C-N 3.34Å; R42-S45 PolarHBondContact O-OG 3.46Å |
| 43 | K | 97.4 | Very high | 97.2 | Very high | 109 Ų | 109 | 102.2 Ų | 102.2 | 47% | 0.474 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.6 | -35.4 | 175.9 | -166.1 | -175 | -178.8 | -160.1 | 0 | 111 | R39 Y40 D41 T51 | R39-K43 WeakPolarHBondContact O-CB 3.16Å; R39-K43 PolarHBondContact O-N 2.96Å; Y40-K43 WeakPolarHBondContact O-CB 3.09Å; Y40-K43 PolarHBondContact O-N 2.84Å; Y40-K43 VanDerWaalsContact O-N 3.1Å; D41-K43 VanDerWaalsContact C-N 3.29Å; D41-K43 PolarHBondContact O-N 2.88Å; K43-T51 HydrophobicContact CG-CG2 4.27Å; K43-T51 PolarHBondContact NZ-O 2.8Å; K43-T51 WeakPolarHBondContact O-CG2 3.41Å |
| 44 | Q | 97.6 | Very high | 97.3 | Very high | 61 Ų | 61 | 98.7 Ų | 98.7 | 29% | 0.285 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -80.7 | -18.3 | -175.1 | -167.1 | 71.9 | -0.6 | 0 | 0 | 113.5 | Y40 D41 R42 T51 | Y40-Q44 HydrophobicContact CE1-CB 4.33Å; Y40-Q44 HydrophobicContact CE1-CG 4.38Å; Y40-Q44 WeakPolarHBondContact O-CB 3.4Å; Y40-Q44 PolarHBondContact O-N 2.89Å; D41-Q44 PolarHBondContact O-N 2.92Å; R42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-T51 VanDerWaalsContact OE1-N 3.1Å; Q44-T51 PolarHBondContact OE1-OG1 3.45Å |
| 45 | S | 96.3 | Very high | 97.2 | Very high | 81 Ų | 81 | 104.1 Ų | 104.1 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -68.6 | 145.7 | 178.7 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | D41 R42 | D41-S45 PolarHBondContact O-N 3.22Å; R42-S45 PolarHBondContact O-OG 3.46Å |
| 46 | G | 97.1 | Very high | 97.2 | Very high | 70 Ų | 70 | 108.5 Ų | 108.5 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 91.1 | -159.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 47 | Y | 95.7 | Very high | 97.1 | Very high | 248 Ų | 248 | 115.1 Ų | 115.1 | 97% | 0.973 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -87.7 | 162.7 | 179.2 | -57.5 | -75.5 | 0 | 0 | 0 | 111.7 | ||
| 48 | G | 95.3 | Very high | 97.1 | Very high | 76 Ų | 76 | 119.2 Ų | 119.2 | 78% | 0.784 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 114.1 | 1.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 49 | G | 96.5 | Very high | 97 | Very high | 53 Ų | 53 | 116.6 Ų | 116.6 | 55% | 0.546 | 60% | 0.595 | S | S | . | * | S | Bend | trans | 70.9 | -147.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T51 | G49-T51 PolarHBondContact O-N 3.08Š|
| 50 | Q | 97.3 | Very high | 97 | Very high | 88 Ų | 88 | 117 Ų | 117 | 41% | 0.411 | 60% | 0.6 | S | S | . | * | trans | -77.1 | 116.8 | -173.8 | 175.7 | 61.2 | 6.2 | 0 | 0 | 112.2 | Y40 K52 I54 | Y40-Q50 PolarHBondContact OH-NE2 2.81Å; Y40-Q50 PolarHBondContact OH-OE1 3.44Å; Q50-K52 WeakPolarHBondContact CG-O 3.29Å; Q50-K52 PolarHBondContact NE2-O 3.18Å; Q50-I54 HydrophobicContact CG-CD1 4.14Å; Q50-I54 HydrophobicContact CG-CG1 4.37Å | ||
| 51 | T | 97 | Very high | 96.9 | Very high | 39 Ų | 39 | 119.5 Ų | 119.5 | 24% | 0.239 | 62% | 0.624 | C | S | . | * | trans | -93 | -4.9 | -169.5 | 65.3 | 0 | 0 | 0 | 0 | 116.2 | K43 Q44 G49 | K43-T51 HydrophobicContact CG-CG2 4.27Å; K43-T51 PolarHBondContact NZ-O 2.8Å; K43-T51 WeakPolarHBondContact O-CG2 3.41Å; Q44-T51 VanDerWaalsContact OE1-N 3.1Å; Q44-T51 PolarHBondContact OE1-OG1 3.45Å; G49-T51 PolarHBondContact O-N 3.08Å | ||
| 52 | K | 97.2 | Very high | 96.9 | Very high | 106 Ų | 106 | 118.1 Ų | 118.1 | 46% | 0.461 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -140.1 | 146.2 | -178 | -71.4 | -65.1 | -176.3 | 178.9 | 0 | 111.2 | Y40 Q50 | Y40-K52 HydrophobicContact CD2-CB 4.35Å; Y40-K52 HydrophobicContact CD2-CG 3.88Å; Y40-K52 HydrophobicContact CE2-CB 3.69Å; Y40-K52 HydrophobicContact CE2-CG 3.72Å; Q50-K52 WeakPolarHBondContact CG-O 3.29Å; Q50-K52 PolarHBondContact NE2-O 3.18Å |
| 53 | P | 97.4 | Very high | 96.8 | Very high | 127 Ų | 127 | 117 Ų | 117 | 83% | 0.825 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 139.3 | -175.8 | 26.9 | -34.6 | 0 | 0 | 0 | 112.1 | ||
| 54 | I | 97.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 118.2 Ų | 118.2 | 57% | 0.574 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 121.4 | 172.7 | -58.5 | 173.5 | 0 | 0 | 0 | 108 | Q50 R56 | Q50-I54 HydrophobicContact CG-CD1 4.14Å; Q50-I54 HydrophobicContact CG-CG1 4.37Å; I54-R56 PolarHBondContact O-N 3.26Å |
| 55 | F | 97.3 | Very high | 96.8 | Very high | 164 Ų | 164 | 116.4 Ų | 116.4 | 72% | 0.719 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -74 | 119.7 | 179.4 | -178.3 | -104.9 | 0 | 0 | 0 | 111.4 | K57 K58 | F55-K57 HydrophobicContact CE2-CB 4.38Å; F55-K57 VanDerWaalsContact CZ-C 3.49Å; F55-K57 HydrophobicContact CZ-CB 4.34Å; F55-K57 WeakPolarHBondContact CZ-O 3.47Å; F55-K58 HydrophobicContact CE1-CB 4.16Å |
| 56 | R | 97.2 | Very high | 96.9 | Very high | 218 Ų | 218 | 114.4 Ų | 114.4 | 82% | 0.823 | 60% | 0.6 | S | S | * | * | trans | -109 | -19.5 | -178.4 | -64.2 | -177 | 177.7 | -176.5 | -1.1 | 115 | I54 K58 | I54-R56 PolarHBondContact O-N 3.26Å; R56-K58 PolarHBondContact O-N 3.3Å | ||
| 57 | K | 96.6 | Very high | 96.9 | Very high | 185 Ų | 185 | 111.2 Ų | 111.2 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | trans | -94.7 | 59.1 | -169.6 | -63.3 | -175.8 | 178.3 | -178.2 | 0 | 113.5 | F55 A59 | F55-K57 HydrophobicContact CE2-CB 4.38Å; F55-K57 VanDerWaalsContact CZ-C 3.49Å; F55-K57 HydrophobicContact CZ-CB 4.34Å; F55-K57 WeakPolarHBondContact CZ-O 3.47Å; K57-A59 PolarHBondContact O-N 3.24Å | ||
| 58 | K | 96.3 | Very high | 97 | Very high | 163 Ų | 163 | 103.3 Ų | 103.3 | 71% | 0.709 | 53% | 0.534 | S | S | * | . | trans | -77.6 | 105.4 | -176 | -173.2 | -177.1 | 174.3 | -167.3 | 0 | 112.6 | F55 R56 | F55-K58 HydrophobicContact CE1-CB 4.16Å; R56-K58 PolarHBondContact O-N 3.3Å | ||
| 59 | A | 97.4 | Very high | 97.1 | Very high | 88 Ų | 88 | 99.7 Ų | 99.7 | 73% | 0.727 | 50% | 0.497 | S | S | * | . | trans | -89.1 | -27.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K57 T61 | K57-A59 PolarHBondContact O-N 3.24Å; A59-T61 PolarHBondContact O-N 3.37Å | ||
| 60 | K | 96.8 | Very high | 97.2 | Very high | 141 Ų | 141 | 99.6 Ų | 99.6 | 61% | 0.613 | 48% | 0.482 | S | S | * | . | trans | -79.8 | 123.7 | -173.6 | -60.5 | -58.1 | -178.2 | -164.6 | 0 | 111.5 | ||||
| 61 | T | 96.9 | Very high | 97.2 | Very high | 131 Ų | 131 | 95.5 Ų | 95.5 | 80% | 0.804 | 46% | 0.463 | S | S | * | . | trans | -85.5 | -20.1 | 178 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | A59 | A59-T61 PolarHBondContact O-N 3.37Š| ||
| 62 | T | 97.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 97.7 Ų | 97.7 | 21% | 0.209 | 48% | 0.477 | C | S | . | . | trans | -122.9 | 175.8 | -178.6 | 60 | 0 | 0 | 0 | 0 | 111.9 | R86 K88 | T62-R86 PolarHBondContact O-NH1 2.99Å; T62-R86 PolarHBondContact OG1-NH1 3.25Å; T62-K88 HydrophobicContact CG2-CG 4.09Å | ||
| 63 | K | 95.8 | Very high | 97.1 | Very high | 163 Ų | 163 | 95.7 Ų | 95.7 | 71% | 0.709 | 47% | 0.469 | S | S | * | . | trans | -125.3 | 159.2 | 170.9 | -61.2 | -174.1 | -177.8 | -171.7 | 0 | 109.9 | ||||
| 64 | K | 97.2 | Very high | 96.8 | Very high | 135 Ų | 135 | 93.5 Ų | 93.5 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124 | 164.4 | -71.7 | -174.4 | 178.8 | -178.7 | 0 | 107.2 | R86 | K64-R86 HydrophobicContact CG-CG 3.95Å |
| 65 | I | 97.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 94.9 Ų | 94.9 | 12% | 0.118 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.7 | 177.3 | -60.2 | -178 | 0 | 0 | 0 | 108 | Q24 L67 A83 I84 C87 F90 | Q24-I65 HydrophobicContact CG-CG2 4.17Å; I65-L67 HydrophobicContact CG2-CD2 4.43Å; I65-A83 WeakPolarHBondContact O-CA 3.43Å; I65-I84 HydrophobicContact CB-CD1 3.95Å; I65-I84 HydrophobicContact CB-CG1 3.76Å; I65-I84 HydrophobicContact CG2-CD1 4.37Å; I65-I84 HydrophobicContact CG2-CG1 4.41Å; I65-I84 WeakPolarHBondContact O-CG1 3Å; I65-I84 PolarHBondContact O-N 3.41Å; I65-C87 WeakPolarHBondContact CD1-SG 3.34Å; I65-F90 HydrophobicContact CD1-CB 3.16Å; I65-F90 HydrophobicContact CD1-CD1 3.89Å; I65-F90 HydrophobicContact CD1-CD2 3.68Å; I65-F90 HydrophobicContact CD1-CG 3.29Å; I65-F90 HydrophobicContact CG2-CD1 4.35Å; I65-F90 HydrophobicContact CG2-CD2 4.39Å; I65-F90 HydrophobicContact CG2-CE1 4.27Å; I65-F90 HydrophobicContact CG2-CE2 4.29Å; I65-F90 HydrophobicContact CG2-CG 4.42Å; I65-F90 HydrophobicContact CG2-CZ 4.25Å |
| 66 | V | 98 | Very high | 96.5 | Very high | 39 Ų | 39 | 87.6 Ų | 87.6 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.2 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 108 | Y25 M81 L82 A83 | Y25-V66 VanDerWaalsContact CB-O 3.29Å; Y25-V66 WeakPolarHBondContact CB-O 3.46Å; Y25-V66 HydrophobicContact CD1-CB 4.39Å; Y25-V66 HydrophobicContact CG-CB 4.45Å; Y25-V66 HydrophobicContact CG-CG1 4.5Å; Y25-V66 PolarHBondContact N-O 2.84Å; V66-M81 HydrophobicContact CG1-CB 3.79Å; V66-M81 HydrophobicContact CG1-CG 4.31Å; V66-M81 HydrophobicContact CG1-SD 4.05Å; V66-L82 WeakPolarHBondContact CA-O 3.35Å; V66-A83 HydrophobicContact CG2-CB 4.19Å |
| 67 | L | 97.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 85 Ų | 85 | 1% | 0.01 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 128.9 | 174.1 | -56 | 178 | 0 | 0 | 0 | 108.7 | V3 V22 T23 I65 L69 M81 L82 I84 F90 | V3-L67 HydrophobicContact CG1-CD1 3.98Å; V22-L67 HydrophobicContact CG1-CB 4.1Å; V22-L67 HydrophobicContact CG1-CD1 4.13Å; V22-L67 HydrophobicContact CG1-CD2 4.07Å; V22-L67 HydrophobicContact CG1-CG 4.32Å; T23-L67 CarbonylContact O-C 3.44Å; T23-L67 WeakPolarHBondContact O-CA 3.17Å; I65-L67 HydrophobicContact CG2-CD2 4.43Å; L67-L69 HydrophobicContact CB-CD2 4.5Å; L67-M81 CarbonylContact O-C 3.56Å; L67-M81 WeakPolarHBondContact O-CA 3.48Å; L67-L82 PolarHBondContact N-O 3.39Å; L67-L82 PolarHBondContact O-N 2.82Å; L67-I84 HydrophobicContact CD1-CG2 4.05Å; L67-I84 HydrophobicContact CG-CG2 4.39Å; L67-F90 HydrophobicContact CD2-CE2 4.14Å; L67-F90 HydrophobicContact CD2-CZ 3.62Å |
| 68 | R | 97.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 77.8 Ų | 77.8 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 113.2 | 168.3 | 172.3 | 175.7 | 166.9 | 166 | -14.9 | 108.2 | T23 K79 M81 | T23-R68 PolarHBondContact N-O 3.49Å; T23-R68 PolarHBondContact O-N 2.7Å; T23-R68 WeakPolarHBondContact OG1-CB 3.07Å; T23-R68 PolarHBondContact OG1-O 3.1Å; T23-R68 VanDerWaalsContact OG1-O 3.08Å; R68-K79 VanDerWaalsContact NH2-NZ 3.18Å; R68-M81 HydrophobicContact CB-CE 4.42Å; R68-M81 HydrophobicContact CB-SD 3.88Å; R68-M81 HydrophobicContact CG-CE 4.37Å; R68-M81 HydrophobicContact CG-SD 4.31Å |
| 69 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 115.3 | 179.4 | -54.5 | 170.1 | 0 | 0 | 0 | 108.4 | T9 H20 K21 V22 L67 K79 R80 L82 | T9-L69 HydrophobicContact CG2-CD1 4.33Å; H20-L69 HydrophobicContact CB-CB 4.22Å; K21-L69 WeakPolarHBondContact O-CA 3.35Å; V22-L69 HydrophobicContact CB-CD2 4.33Å; V22-L69 HydrophobicContact CG1-CD2 4.1Å; V22-L69 HydrophobicContact CG2-CD2 3.74Å; L67-L69 HydrophobicContact CB-CD2 4.5Å; L69-K79 CarbonylContact O-C 3.57Å; L69-K79 VanDerWaalsContact O-CA 3.27Å; L69-K79 WeakPolarHBondContact O-CA 3.49Å; L69-R80 HydrophobicContact CB-CB 4.49Å; L69-R80 PolarHBondContact N-O 2.96Å; L69-R80 PolarHBondContact O-N 3.02Å; L69-L82 HydrophobicContact CD1-CB 4.12Å |
| 70 | E | 97.8 | Very high | 96.3 | Very high | 51 Ų | 51 | 74.9 Ų | 74.9 | 24% | 0.238 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.7 | 178 | -178.9 | 158 | -167.7 | 0 | 0 | 109.6 | H20 K21 V72 K79 | H20-E70 CarbonylContact C-O 3.52Å; H20-E70 WeakPolarHBondContact CA-O 3.36Å; K21-E70 PolarHBondContact N-O 2.93Å; K21-E70 PolarHBondContact O-N 2.79Å; E70-V72 PolarHBondContact O-N 2.97Å; E70-K79 HydrophobicContact CB-CG 4.22Å; E70-K79 HydrophobicContact CG-CG 4.19Å; E70-K79 WeakPolarHBondContact OE1-CE 3.38Å; E70-K79 IonicContact OE1-NZ 2.65Å; E70-K79 WeakPolarHBondContact OE2-CE 3.33Å |
| 71 | C | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 130.5 | 177.6 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | E73 C76 S78 | C71-E73 VanDerWaalsContact C-N 3.27Å; C71-E73 PolarHBondContact O-N 2.88Å; C71-C76 HydrophobicContact CB-CB 4.4Å; C71-S78 PolarHBondContact N-O 3.31Å |
| 72 | V | 96.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 69.2 Ų | 69.2 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | trans | -74.1 | -21 | -177.9 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | P19 E70 P74 | P19-V72 HydrophobicContact CB-CG2 4.38Å; P19-V72 HydrophobicContact CG-CB 4.3Å; P19-V72 WeakPolarHBondContact O-CG2 3.35Å; P19-V72 PolarHBondContact O-N 2.79Å; P19-V72 VanDerWaalsContact O-N 3.12Å; E70-V72 PolarHBondContact O-N 2.97Å; V72-P74 WeakPolarHBondContact O-CD 3.35Å | ||
| 73 | E | 94.4 | Very high | 96.3 | Very high | 64 Ų | 64 | 70.6 Ų | 70.6 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | trans | -53.8 | 119.7 | 178.8 | -174.7 | 69.1 | -126.4 | 0 | 0 | 111.2 | Q18 C71 N75 C76 R77 | Q18-E73 PolarHBondContact NE2-OE2 3.5Å; C71-E73 VanDerWaalsContact C-N 3.27Å; C71-E73 PolarHBondContact O-N 2.88Å; E73-N75 VanDerWaalsContact C-N 3.27Å; E73-N75 PolarHBondContact O-N 3.1Å; E73-C76 HydrophobicContact CB-CB 3.74Å; E73-C76 HydrophobicContact CG-CB 3.95Å; E73-C76 PolarHBondContact O-N 2.93Å; E73-R77 PolarHBondContact O-N 3.5Å; E73-R77 VanDerWaalsContact O-N 3.08Å | ||
| 74 | P | 91.9 | Very high | 96.4 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -39.1 | -172.5 | -27.5 | 34.4 | 0 | 0 | 0 | 113.7 | V72 C76 R77 | V72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-C76 VanDerWaalsContact C-N 3.32Å; P74-R77 PolarHBondContact O-NE 2.89Å |
| 75 | N | 93.8 | Very high | 96.4 | Very high | 141 Ų | 141 | 67.4 Ų | 67.4 | 75% | 0.754 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.4 | -178.1 | -60.9 | -12.6 | 0 | 0 | 0 | 112.7 | K13 E73 | K13-N75 PolarHBondContact NZ-O 3.09Å; E73-N75 VanDerWaalsContact C-N 3.27Å; E73-N75 PolarHBondContact O-N 3.1Å |
| 76 | C | 94.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -61.6 | -175.3 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | C11 K13 C14 C71 E73 P74 S78 | C11-C76 PolarHBondContact SG-SG 3.37Å; K13-C76 VanDerWaalsContact CB-SG 3.58Å; K13-C76 PolarHBondContact NZ-O 2.91Å; C14-C76 VanDerWaalsContact SG-CB 3.54Å; C14-C76 PolarHBondContact SG-SG 2.99Å; C71-C76 HydrophobicContact CB-CB 4.4Å; E73-C76 HydrophobicContact CB-CB 3.74Å; E73-C76 HydrophobicContact CG-CB 3.95Å; E73-C76 PolarHBondContact O-N 2.93Å; P74-C76 VanDerWaalsContact C-N 3.32Å; C76-S78 PolarHBondContact O-N 2.99Å; C76-S78 VanDerWaalsContact SG-CB 3.59Å; C76-S78 PolarHBondContact SG-OG 2.97Å |
| 77 | R | 94.5 | Very high | 96.3 | Very high | 165 Ų | 165 | 71 Ų | 71 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | trans | 40 | 27.2 | -172.6 | -60.6 | -179.6 | -172.5 | -169.9 | -1.1 | 115.2 | E73 P74 | E73-R77 PolarHBondContact O-N 3.5Å; E73-R77 VanDerWaalsContact O-N 3.08Å; P74-R77 PolarHBondContact O-NE 2.89Å | ||
| 78 | S | 96.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 79.6 Ų | 79.6 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | trans | -72.1 | 142.7 | -174.8 | 68.7 | 0 | 0 | 0 | 0 | 109.9 | C11 C71 C76 | C11-S78 PolarHBondContact SG-OG 3.3Å; C71-S78 PolarHBondContact N-O 3.31Å; C76-S78 PolarHBondContact O-N 2.99Å; C76-S78 VanDerWaalsContact SG-CB 3.59Å; C76-S78 PolarHBondContact SG-OG 2.97Å | ||
| 79 | K | 96.2 | Very high | 96.2 | Very high | 112 Ų | 112 | 83 Ų | 83 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.8 | -178 | -69.3 | 150.2 | -172.9 | 172.3 | 0 | 110.2 | R68 L69 E70 | R68-K79 VanDerWaalsContact NH2-NZ 3.18Å; L69-K79 CarbonylContact O-C 3.57Å; L69-K79 VanDerWaalsContact O-CA 3.27Å; L69-K79 WeakPolarHBondContact O-CA 3.49Å; E70-K79 HydrophobicContact CB-CG 4.22Å; E70-K79 HydrophobicContact CG-CG 4.19Å; E70-K79 WeakPolarHBondContact OE1-CE 3.38Å; E70-K79 IonicContact OE1-NZ 2.65Å; E70-K79 WeakPolarHBondContact OE2-CE 3.33Å |
| 80 | R | 96.4 | Very high | 96.1 | Very high | 79 Ų | 79 | 85.2 Ų | 85.2 | 30% | 0.298 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.7 | 174.6 | -179.3 | 170.7 | 63 | 130 | -7 | 110.5 | T9 Y10 L69 | T9-R80 PolarHBondContact OG1-NH2 3.45Å; Y10-R80 PolarHBondContact O-NH2 3.41Å; L69-R80 HydrophobicContact CB-CB 4.49Å; L69-R80 PolarHBondContact N-O 2.96Å; L69-R80 PolarHBondContact O-N 3.02Å |
| 81 | M | 97.4 | Very high | 95.9 | Very high | 96 Ų | 96 | 87.4 Ų | 87.4 | 47% | 0.473 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.6 | 173.9 | -60.8 | -57.8 | -179.9 | 0 | 0 | 110.2 | Y25 V66 L67 R68 | Y25-M81 HydrophobicContact CD2-CE 3.54Å; Y25-M81 HydrophobicContact CD2-SD 3.98Å; Y25-M81 HydrophobicContact CE2-CE 3.9Å; Y25-M81 HydrophobicContact CG-CE 4.48Å; Y25-M81 HydrophobicContact CG-SD 4.38Å; V66-M81 HydrophobicContact CG1-CB 3.79Å; V66-M81 HydrophobicContact CG1-CG 4.31Å; V66-M81 HydrophobicContact CG1-SD 4.05Å; L67-M81 CarbonylContact O-C 3.56Å; L67-M81 WeakPolarHBondContact O-CA 3.48Å; R68-M81 HydrophobicContact CB-CE 4.42Å; R68-M81 HydrophobicContact CB-SD 3.88Å; R68-M81 HydrophobicContact CG-CE 4.37Å; R68-M81 HydrophobicContact CG-SD 4.31Å |
| 82 | L | 96.7 | Very high | 95.8 | Very high | 57 Ų | 57 | 89.6 Ų | 89.6 | 30% | 0.298 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 116 | 173.2 | -179.2 | 68.2 | 0 | 0 | 0 | 110.1 | V66 L67 L69 | V66-L82 WeakPolarHBondContact CA-O 3.35Å; L67-L82 PolarHBondContact N-O 3.39Å; L67-L82 PolarHBondContact O-N 2.82Å; L69-L82 HydrophobicContact CD1-CB 4.12Å |
| 83 | A | 97.6 | Very high | 95.6 | Very high | 63 Ų | 63 | 87.2 Ų | 87.2 | 52% | 0.521 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I65 V66 | I65-A83 WeakPolarHBondContact O-CA 3.43Å; V66-A83 HydrophobicContact CG2-CB 4.19Å |
| 84 | I | 96.4 | Very high | 95.6 | Very high | 41 Ų | 41 | 85.3 Ų | 85.3 | 21% | 0.21 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 170.5 | 170.4 | 63.2 | 164 | 0 | 0 | 0 | 111.1 | I65 L67 F90 | I65-I84 HydrophobicContact CB-CD1 3.95Å; I65-I84 HydrophobicContact CB-CG1 3.76Å; I65-I84 HydrophobicContact CG2-CD1 4.37Å; I65-I84 HydrophobicContact CG2-CG1 4.41Å; I65-I84 WeakPolarHBondContact O-CG1 3Å; I65-I84 PolarHBondContact O-N 3.41Å; L67-I84 HydrophobicContact CD1-CG2 4.05Å; L67-I84 HydrophobicContact CG-CG2 4.39Å; I84-F90 HydrophobicContact CD1-CD2 4.02Å; I84-F90 HydrophobicContact CD1-CE2 3.95Å |
| 85 | K | 97.2 | Very high | 95.5 | Very high | 189 Ų | 189 | 89 Ų | 89 | 82% | 0.822 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 161.3 | 171.9 | -67 | -175.3 | 179.7 | -180 | 0 | 110.7 | ||
| 86 | R | 97.7 | Very high | 95.4 | Very high | 116 Ų | 116 | 91.2 Ų | 91.2 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.1 | 178.1 | -69.1 | 172.4 | 174.9 | -85.2 | -1 | 109.8 | T62 K64 | T62-R86 PolarHBondContact O-NH1 2.99Å; T62-R86 PolarHBondContact OG1-NH1 3.25Å; K64-R86 HydrophobicContact CG-CG 3.95Å |
| 87 | C | 96.8 | Very high | 95.2 | Very high | 23 Ų | 23 | 100.6 Ų | 100.6 | 16% | 0.155 | 48% | 0.483 | C | S | . | . | trans | -141.9 | 152.3 | 173.8 | 55 | 0 | 0 | 0 | 0 | 109.7 | V1 I65 | V1-C87 HydrophobicContact CB-CB 4.48Å; V1-C87 HydrophobicContact CG2-CB 3.69Å; I65-C87 WeakPolarHBondContact CD1-SG 3.34Å | ||
| 88 | K | 96.4 | Very high | 95 | Very high | 181 Ų | 181 | 101.7 Ų | 101.7 | 79% | 0.787 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -77.2 | -49.3 | 175.8 | -67.6 | -174.9 | 178.6 | -178 | 0 | 111.2 | T62 | T62-K88 HydrophobicContact CG2-CG 4.09Š|
| 89 | H | 95.6 | Very high | 94.8 | Very high | 155 Ų | 155 | 110 Ų | 110 | 72% | 0.718 | 52% | 0.519 | S | S | * | . | trans | -113.5 | 134.1 | 178 | -57.8 | -79.5 | 0 | 0 | 0 | 110.7 | V1 | V1-H89 PolarHBondContact N-O 2.65Š| ||
| 90 | F | 95.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 108.8 Ų | 108.8 | 20% | 0.197 | 54% | 0.539 | C | S | . | . | trans | -136 | 132.5 | 178.5 | 175.3 | -96.3 | 0 | 0 | 0 | 110 | V1 V3 Q24 I65 L67 I84 L92 | V1-F90 WeakPolarHBondContact O-CA 3.28Å; V3-F90 HydrophobicContact CB-CE2 4.15Å; V3-F90 HydrophobicContact CB-CZ 4.32Å; V3-F90 HydrophobicContact CG2-CE2 3.69Å; V3-F90 HydrophobicContact CG2-CZ 4.33Å; Q24-F90 HydrophobicContact CG-CE1 4.48Å; I65-F90 HydrophobicContact CD1-CB 3.16Å; I65-F90 HydrophobicContact CD1-CD1 3.89Å; I65-F90 HydrophobicContact CD1-CD2 3.68Å; I65-F90 HydrophobicContact CD1-CG 3.29Å; I65-F90 HydrophobicContact CG2-CD1 4.35Å; I65-F90 HydrophobicContact CG2-CD2 4.39Å; I65-F90 HydrophobicContact CG2-CE1 4.27Å; I65-F90 HydrophobicContact CG2-CE2 4.29Å; I65-F90 HydrophobicContact CG2-CG 4.42Å; I65-F90 HydrophobicContact CG2-CZ 4.25Å; L67-F90 HydrophobicContact CD2-CE2 4.14Å; L67-F90 HydrophobicContact CD2-CZ 3.62Å; I84-F90 HydrophobicContact CD1-CD2 4.02Å; I84-F90 HydrophobicContact CD1-CE2 3.95Å; F90-L92 HydrophobicContact CE1-CB 4.27Å; F90-L92 HydrophobicContact CZ-CD1 4.18Å | ||
| 91 | E | 95 | Very high | 93.8 | Very high | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.2 | 178.9 | 67.4 | -161.8 | 146.7 | 0 | 0 | 109.2 | V1 N2 V3 | V1-E91 PolarHBondContact O-N 3.19Å; N2-E91 WeakPolarHBondContact CA-O 3.44Å; N2-E91 HydrophobicContact CB-CG 3.64Å; N2-E91 WeakPolarHBondContact CB-OE1 3.45Å; V3-E91 PolarHBondContact N-O 3.28Å; V3-E91 VanDerWaalsContact N-O 3.12Å |
| 92 | L | 94.4 | Very high | 93.2 | Very high | 48 Ų | 48 | 112.3 Ų | 112.3 | 25% | 0.251 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 106.9 | -177.4 | -171.1 | 77 | 0 | 0 | 0 | 109.7 | V3 K5 V22 F90 | V3-L92 HydrophobicContact CB-CD1 4.14Å; V3-L92 HydrophobicContact CG1-CD1 4.19Å; V3-L92 CarbonylContact O-C 3.5Å; V3-L92 WeakPolarHBondContact O-CA 3.36Å; V3-L92 WeakPolarHBondContact O-CD1 3.38Å; K5-L92 WeakPolarHBondContact CE-O 3.4Å; K5-L92 HydrophobicContact CG-CD2 4.29Å; K5-L92 HydrophobicContact CG-CG 3.99Å; V22-L92 HydrophobicContact CB-CD1 4.32Å; V22-L92 HydrophobicContact CG1-CD1 3.88Å; V22-L92 WeakPolarHBondContact O-CD2 3.48Å; F90-L92 HydrophobicContact CE1-CB 4.27Å; F90-L92 HydrophobicContact CZ-CD1 4.18Å |
| 93 | G | 93.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 116.3 Ų | 116.3 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | S | Bend | trans | 72.9 | 37 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N2 V3 | N2-G93 PolarHBondContact OD1-N 3.39Å; V3-G93 PolarHBondContact O-N 2.94Å |
| 94 | G | 93.5 | Very high | 91.8 | Very high | 25 Ų | 25 | 122.4 Ų | 122.4 | 26% | 0.258 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 173.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N2 | N2-G94 PolarHBondContact ND2-O 3.33Å; N2-G94 PolarHBondContact OD1-N 3.07Å |
| 95 | D | 91.2 | Very high | 90.8 | Very high | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143.8 | -177.3 | -67 | -43.1 | 0 | 0 | 0 | 112.6 | N2 | N2-D95 PolarHBondContact ND2-O 3.48Š|
| 96 | K | 90.4 | Very high | 90.4 | Very high | 188 Ų | 188 | 130 Ų | 130 | 82% | 0.817 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 132.6 | 172.7 | -65.4 | -176 | -177 | 175.3 | 0 | 108.3 | R98 | K96-R98 PolarHBondContact O-N 3.41Š|
| 97 | K | 90 | Very high | 90 | Very high | 209 Ų | 209 | 130.7 Ų | 130.7 | 91% | 0.909 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 127.3 | 172.5 | -62.1 | -171.4 | 176.7 | -168.1 | 0 | 109.5 | ||
| 98 | R | 91 | Very high | 89.7 | Confident | 188 Ų | 188 | 136.7 Ų | 136.7 | 71% | 0.709 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 146.2 | 174.5 | -66.7 | 170.9 | 178.4 | -176.6 | 7 | 109.3 | K96 Q101 | K96-R98 PolarHBondContact O-N 3.41Å; R98-Q101 HydrophobicContact CB-CG 4.01Å; R98-Q101 VanDerWaalsContact CD-CD 3.42Å |
| 99 | K | 91.4 | Very high | 89.3 | Confident | 206 Ų | 206 | 134.1 Ų | 134.1 | 90% | 0.896 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -84.6 | 138.9 | 177.1 | -67.4 | -173.6 | 177.7 | -176 | 0 | 109.7 | Q101 | K99-Q101 VanDerWaalsContact C-N 3.32Å; K99-Q101 PolarHBondContact O-N 2.9Å |
| 100 | G | 86.2 | Confident | 88.9 | Confident | 87 Ų | 87 | 132.8 Ų | 132.8 | 90% | 0.897 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 72.2 | 13.1 | 169 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 101 | Q | 86.9 | Confident | 88.4 | Confident | 119 Ų | 119 | 138.7 Ų | 138.7 | 56% | 0.556 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 135.3 | 175.1 | -69.9 | -162.3 | -42.6 | 0 | 0 | 111.3 | R98 K99 I103 | R98-Q101 HydrophobicContact CB-CG 4.01Å; R98-Q101 VanDerWaalsContact CD-CD 3.42Å; K99-Q101 VanDerWaalsContact C-N 3.32Å; K99-Q101 PolarHBondContact O-N 2.9Å; Q101-I103 PolarHBondContact O-N 3.1Å |
| 102 | V | 84.3 | Confident | 87.9 | Confident | 130 Ų | 130 | 141.6 Ų | 141.6 | 79% | 0.788 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 129.9 | 169.3 | -176.7 | 0 | 0 | 0 | 0 | 108 | F105 | V102-F105 HydrophobicContact CG1-CE2 4.35Š|
| 103 | I | 85.7 | Confident | 87.4 | Confident | 141 Ų | 141 | 148.8 Ų | 148.8 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 134.7 | 175.4 | -35.8 | 174.4 | 0 | 0 | 0 | 106.5 | Q101 F105 | Q101-I103 PolarHBondContact O-N 3.1Å; I103-F105 PolarHBondContact O-N 3.06Å |
| 104 | Q | 78.6 | Confident | 87 | Confident | 191 Ų | 191 | 158.3 Ų | 158.3 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 127.8 | 177 | -141.4 | 167.8 | -2.4 | 0 | 0 | 108.7 | ||
| 105 | F | 74.6 | Confident | 86.4 | Confident | 259 Ų | 259 | 170.4 Ų | 170.4 | 100% | 1.136 | 83% | 0.833 | S | S | * | * | trans | -82.8 | 0 | 177.2 | -64.4 | -78.2 | 0 | 0 | 0 | 111 | V102 I103 | V102-F105 HydrophobicContact CG1-CE2 4.35Å; I103-F105 PolarHBondContact O-N 3.06Å |
Retrieved 105 of 105 residues in 24.1 ms
(Link to these results)