| 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 | 38.9 | Very low | 58.7 | Low | 226 Ų | 226 | 132.1 Ų | 132.1 | 100% | 1.113 | 69% | 0.693 | S | S | * | * | 0 | 112.6 | 0 | -62.8 | -61.4 | 176.1 | 0 | 0 | 107.8 | G3 | M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 2.9Å | |||
| 2 | P | 45.3 | Very low | 60 | Low | 133 Ų | 133 | 125.7 Ų | 125.7 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | -64.3 | 100.9 | 170.6 | 27.3 | -29.5 | 0 | 0 | 0 | 106.6 | N4 | P2-N4 PolarHBondContact O-N 3.39Š| ||
| 3 | G | 53.3 | Low | 61.5 | Low | 61 Ų | 61 | 122.1 Ų | 122.1 | 63% | 0.629 | 65% | 0.652 | S | S | * | * | trans | -59.2 | 123.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | M1 R5 | M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 2.9Å; G3-R5 PolarHBondContact O-N 3.45Å | ||
| 4 | N | 53.9 | Low | 62.7 | Low | 139 Ų | 139 | 122.9 Ų | 122.9 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | trans | -54.5 | 77.8 | 168.9 | -101.4 | 13.5 | 0 | 0 | 0 | 109.7 | P2 L6 | P2-N4 PolarHBondContact O-N 3.39Å; N4-L6 HydrophobicContact CB-CG 4.49Å; N4-L6 PolarHBondContact O-N 2.94Å | ||
| 5 | R | 53.7 | Low | 63.7 | Low | 239 Ų | 239 | 118.7 Ų | 118.7 | 90% | 0.902 | 63% | 0.627 | S | S | * | * | trans | -78 | 63 | 162.9 | -70.5 | -167.9 | -167.9 | -172.7 | 4.8 | 107 | G3 | G3-R5 PolarHBondContact O-N 3.45Š| ||
| 6 | L | 49.9 | Very low | 64.7 | Low | 96 Ų | 96 | 116.3 Ų | 116.3 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | trans | -60.5 | 125.8 | 164.3 | -70.3 | 169.8 | 0 | 0 | 0 | 105.7 | N4 L8 | N4-L6 HydrophobicContact CB-CG 4.49Å; N4-L6 PolarHBondContact O-N 2.94Å; L6-L8 PolarHBondContact O-N 3.19Å | ||
| 7 | P | 62.7 | Low | 65.2 | Low | 110 Ų | 110 | 112.2 Ų | 112.2 | 71% | 0.714 | 60% | 0.596 | S | S | * | * | trans | -54.8 | 135.1 | 179.5 | 22.1 | -32.2 | 0 | 0 | 0 | 108.9 | K9 | P7-K9 PolarHBondContact O-N 2.9Š| ||
| 8 | L | 65.1 | Low | 65.3 | Low | 82 Ų | 82 | 107.1 Ų | 107.1 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | trans | -58 | 114.4 | 176.2 | -77.7 | 165.2 | 0 | 0 | 0 | 108.2 | L6 V48 R50 P52 Y53 | L6-L8 PolarHBondContact O-N 3.19Å; L8-V48 HydrophobicContact CD2-CG1 4.01Å; L8-R50 WeakPolarHBondContact CA-O 3.42Å; L8-P52 HydrophobicContact CD2-CG 4.04Å; L8-Y53 HydrophobicContact CD1-CD2 4.02Å; L8-Y53 HydrophobicContact CD1-CE2 4.2Å; L8-Y53 HydrophobicContact CD2-CD2 3.71Å | ||
| 9 | K | 73.6 | Confident | 65 | Low | 135 Ų | 135 | 105.4 Ų | 105.4 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 113.2 | 175.8 | -168.8 | 174.2 | -179.4 | 175.7 | 0 | 108.1 | P7 G49 R50 | P7-K9 PolarHBondContact O-N 2.9Å; K9-G49 WeakPolarHBondContact O-CA 3.37Å; K9-G49 PolarHBondContact O-N 2.84Å; K9-R50 HydrophobicContact CB-CB 3.99Å; K9-R50 HydrophobicContact CB-CG 4.42Å; K9-R50 PolarHBondContact N-O 3.48Å; K9-R50 VanDerWaalsContact N-O 3.13Å; K9-R50 PolarHBondContact O-N 2.81Å |
| 10 | L | 73 | Confident | 64.3 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.8 | 134.4 | 171.1 | -61.4 | -178.3 | 0 | 0 | 0 | 109.3 | V13 L46 V48 | L10-V13 HydrophobicContact CD1-CG2 4.18Å; L10-L46 HydrophobicContact CD1-CD1 3.73Å; L10-L46 HydrophobicContact CD2-CD1 3.41Å; L10-L46 VanDerWaalsContact CD2-CD1 3.41Å; L10-L46 HydrophobicContact CD2-CD2 4.22Å; L10-L46 HydrophobicContact CD2-CG 3.94Å; L10-L46 HydrophobicContact CG-CD1 4.11Å; L10-V48 HydrophobicContact CD2-CG2 4.28Å |
| 11 | Q | 76 | Confident | 63.7 | Low | 142 Ų | 142 | 101 Ų | 101 | 66% | 0.664 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.9 | -48.7 | 174 | 179.8 | 173.9 | -6.8 | 0 | 0 | 110 | F47 | Q11-F47 HydrophobicContact CB-CB 4.05Å; Q11-F47 WeakPolarHBondContact CB-O 3.3Å; Q11-F47 PolarHBondContact N-O 2.83Å |
| 12 | S | 74.7 | Confident | 64.1 | Low | 55 Ų | 55 | 94.4 Ų | 94.4 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 157.8 | 175.3 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | F47 | S12-F47 PolarHBondContact O-N 2.81Å; S12-F47 VanDerWaalsContact OG-CD2 3.25Å; S12-F47 WeakPolarHBondContact OG-CD2 3.45Å |
| 13 | V | 79.4 | Confident | 64 | Low | 79 Ų | 79 | 93.5 Ų | 93.5 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125 | 169.1 | -173.3 | 0 | 0 | 0 | 0 | 107.2 | L10 L45 L46 F60 | L10-V13 HydrophobicContact CD1-CG2 4.18Å; V13-L45 WeakPolarHBondContact CA-O 3.23Å; V13-L46 HydrophobicContact CG2-CD1 3.59Å; V13-F60 HydrophobicContact CG1-CE1 3.88Å; V13-F60 HydrophobicContact CG1-CZ 3.79Å |
| 14 | Y | 78.3 | Confident | 63.5 | Low | 134 Ų | 134 | 93 Ų | 93 | 53% | 0.525 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.8 | 173.2 | -178.2 | -115.4 | 0 | 0 | 0 | 108.5 | I16 G44 L45 | Y14-I16 HydrophobicContact CD1-CD1 4.29Å; Y14-I16 HydrophobicContact CD1-CG1 4.18Å; Y14-I16 HydrophobicContact CE1-CD1 3.27Å; Y14-I16 HydrophobicContact CE1-CG1 3.34Å; Y14-I16 HydrophobicContact CE2-CG1 4.39Å; Y14-I16 VanDerWaalsContact CZ-CG1 3.45Å; Y14-I16 WeakPolarHBondContact OH-CD1 3.25Å; Y14-I16 WeakPolarHBondContact OH-CG1 3.46Å; Y14-G44 CarbonylContact O-C 3.45Å; Y14-G44 WeakPolarHBondContact O-CA 3.37Å; Y14-L45 PolarHBondContact N-O 2.96Å; Y14-L45 PolarHBondContact O-N 3.11Å |
| 15 | C | 78.6 | Confident | 63.2 | Low | 59 Ų | 59 | 93.3 Ų | 93.3 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.1 | 177.5 | 58.6 | 0 | 0 | 0 | 0 | 110 | W42 N43 | C15-W42 HydrophobicContact CB-CE3 4.06Å; C15-N43 CarbonylContact C-O 3.55Å; C15-N43 WeakPolarHBondContact CA-O 3.4Å |
| 16 | I | 79 | Confident | 62.8 | Low | 81 Ų | 81 | 89.8 Ų | 89.8 | 42% | 0.415 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.2 | 175.5 | -51.2 | 164.6 | 0 | 0 | 0 | 107.3 | Y14 S18 W42 N43 | Y14-I16 HydrophobicContact CD1-CD1 4.29Å; Y14-I16 HydrophobicContact CD1-CG1 4.18Å; Y14-I16 HydrophobicContact CE1-CD1 3.27Å; Y14-I16 HydrophobicContact CE1-CG1 3.34Å; Y14-I16 HydrophobicContact CE2-CG1 4.39Å; Y14-I16 VanDerWaalsContact CZ-CG1 3.45Å; Y14-I16 WeakPolarHBondContact OH-CD1 3.25Å; Y14-I16 WeakPolarHBondContact OH-CG1 3.46Å; I16-S18 PolarHBondContact O-N 3.09Å; I16-W42 CarbonylContact O-C 3.37Å; I16-W42 WeakPolarHBondContact O-CA 3.46Å; I16-N43 PolarHBondContact N-O 2.91Å; I16-N43 PolarHBondContact O-N 3.13Å |
| 17 | P | 73.4 | Confident | 62.6 | Low | 47 Ų | 47 | 91.2 Ų | 91.2 | 31% | 0.305 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 134 | 168.1 | 25 | -33 | 0 | 0 | 0 | 109.9 | A19 F39 | P17-A19 PolarHBondContact O-N 2.92Å; P17-A19 VanDerWaalsContact O-N 3.11Å; P17-F39 HydrophobicContact CB-CB 3.48Å; P17-F39 VanDerWaalsContact CB-CB 3.48Å; P17-F39 HydrophobicContact CB-CD1 4.16Å; P17-F39 HydrophobicContact CB-CD2 4.01Å; P17-F39 HydrophobicContact CB-CG 3.62Å; P17-F39 HydrophobicContact CG-CD2 4.47Å; P17-F39 HydrophobicContact CG-CG 4.5Å |
| 18 | S | 66.8 | Low | 61.8 | Low | 20 Ų | 20 | 97 Ų | 97 | 14% | 0.14 | 52% | 0.523 | C | S | . | . | trans | -64.4 | 117.5 | 172 | 69.4 | 0 | 0 | 0 | 0 | 107.8 | I16 S20 F39 E41 N43 | I16-S18 PolarHBondContact O-N 3.09Å; S18-S20 PolarHBondContact O-N 2.87Å; S18-F39 WeakPolarHBondContact O-CD1 3.29Å; S18-E41 WeakPolarHBondContact CB-O 3.39Å; S18-E41 PolarHBondContact N-O 2.66Å; S18-E41 VanDerWaalsContact OG-CB 3.31Å; S18-E41 WeakPolarHBondContact OG-CB 3.4Å; S18-E41 PolarHBondContact OG-O 3.19Å; S18-E41 VanDerWaalsContact OG-O 3.06Å; S18-N43 WeakPolarHBondContact CB-ND2 3.38Å | ||
| 19 | A | 58.8 | Low | 60.7 | Low | 74 Ų | 74 | 98.8 Ų | 98.8 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | trans | -73.4 | 70.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | P17 | P17-A19 PolarHBondContact O-N 2.92Å; P17-A19 VanDerWaalsContact O-N 3.11Å | ||
| 20 | S | 52.6 | Low | 59.4 | Low | 93 Ų | 93 | 98 Ų | 98 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | trans | -76.6 | -8.2 | 167.9 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | S18 S22 | S18-S20 PolarHBondContact O-N 2.87Å; S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 2.89Å | ||
| 21 | C | 50.2 | Low | 57.9 | Low | 27 Ų | 27 | 100.2 Ų | 100.2 | 18% | 0.182 | 56% | 0.556 | C | S | . | * | S | Bend | trans | -63.9 | 101.3 | 162.5 | -157.4 | 0 | 0 | 0 | 0 | 106 | T23 C37 F39 | C21-T23 PolarHBondContact O-N 2.9Å; C21-T23 PolarHBondContact O-OG1 2.92Å; C21-C37 HydrophobicContact CB-CB 4.33Å; C21-F39 HydrophobicContact CB-CE1 4.34Å |
| 22 | S | 48.2 | Very low | 56.5 | Low | 87 Ų | 87 | 98.2 Ų | 98.2 | 61% | 0.608 | 55% | 0.553 | S | S | * | * | trans | -40.6 | 91.2 | 176.7 | 36.9 | 0 | 0 | 0 | 0 | 108.9 | S20 S24 | S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 2.89Å; S22-S24 PolarHBondContact O-N 2.81Å | ||
| 23 | T | 42.5 | Very low | 55.3 | Low | 113 Ų | 113 | 102.1 Ų | 102.1 | 69% | 0.693 | 56% | 0.563 | S | S | * | * | trans | -79 | 59.5 | 168.1 | -43.8 | 0 | 0 | 0 | 0 | 105.4 | C21 I25 | C21-T23 PolarHBondContact O-N 2.9Å; C21-T23 PolarHBondContact O-OG1 2.92Å; T23-I25 PolarHBondContact O-N 2.94Å | ||
| 24 | S | 43 | Very low | 53.6 | Low | 52 Ų | 52 | 104.8 Ų | 104.8 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | trans | -71.1 | 110 | 138.2 | -175.1 | 0 | 0 | 0 | 0 | 102.7 | S22 Y26 | S22-S24 PolarHBondContact O-N 2.81Å; S24-Y26 WeakPolarHBondContact O-CD2 3.37Å; S24-Y26 PolarHBondContact O-N 3.04Å | ||
| 25 | I | 48.5 | Very low | 52.3 | Low | 144 Ų | 144 | 105.2 Ų | 105.2 | 74% | 0.738 | 59% | 0.585 | S | S | * | * | 56.3 | 18.5 | 79.6 | -51.7 | 158.3 | 0 | 0 | 0 | 110.8 | T23 P27 | T23-I25 PolarHBondContact O-N 2.94Å; I25-P27 WeakPolarHBondContact O-CD 3.43Å | |||
| 26 | Y | 44.1 | Very low | 51.2 | Low | 166 Ų | 166 | 110.6 Ų | 110.6 | 65% | 0.651 | 61% | 0.605 | S | S | * | * | trans | -94.7 | 82.2 | 157.4 | -60.7 | -69.9 | 0 | 0 | 0 | 108.3 | S24 R28 | S24-Y26 WeakPolarHBondContact O-CD2 3.37Å; S24-Y26 PolarHBondContact O-N 3.04Å; Y26-R28 PolarHBondContact O-N 3.31Å | ||
| 27 | P | 46.7 | Very low | 50 | Low | 125 Ų | 125 | 109.3 Ų | 109.3 | 81% | 0.812 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 12 | 175.7 | 28.9 | -36.4 | 0 | 0 | 0 | 113.5 | I25 | I25-P27 WeakPolarHBondContact O-CD 3.43Š|
| 28 | R | 46.2 | Very low | 49.3 | Very low | 231 Ų | 231 | 110.5 Ų | 110.5 | 87% | 0.872 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 6.5 | -174.1 | -88.5 | -134.7 | 172.2 | -148.5 | 0.4 | 117.1 | Y26 | Y26-R28 PolarHBondContact O-N 3.31Š|
| 29 | L | 42.2 | Very low | 49.6 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 63% | 0.628 | 62% | 0.618 | S | S | * | * | trans | -122 | 79.7 | 175.5 | -93.3 | 131.8 | 0 | 0 | 0 | 111.1 | L31 V32 | L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.81Å; L29-V32 HydrophobicContact CD2-CG2 3.73Å | ||
| 30 | S | 45.8 | Very low | 50.9 | Low | 119 Ų | 119 | 112.1 Ų | 112.1 | 83% | 0.832 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 17.1 | -174.1 | 28.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 31 | L | 41.9 | Very low | 52.5 | Low | 136 Ų | 136 | 112.8 Ų | 112.8 | 71% | 0.712 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.3 | -0.5 | -176.2 | -104.1 | 160.6 | 0 | 0 | 0 | 118 | L29 L34 | L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.81Å; L31-L34 HydrophobicContact CD2-CD1 4.02Å |
| 32 | V | 44.9 | Very low | 54.2 | Low | 101 Ų | 101 | 115 Ų | 115 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -96.4 | -14.6 | -165.9 | -175.7 | 0 | 0 | 0 | 0 | 115.8 | L29 | L29-V32 HydrophobicContact CD2-CG2 3.73Š|
| 33 | F | 50.2 | Low | 56.2 | Low | 136 Ų | 136 | 113.3 Ų | 113.3 | 60% | 0.596 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -105.1 | 13.7 | -178.7 | -73.2 | -76.7 | 0 | 0 | 0 | 115.8 | N35 | F33-N35 PolarHBondContact O-N 2.9Š|
| 34 | L | 43.6 | Very low | 58.3 | Low | 135 Ų | 135 | 108.1 Ų | 108.1 | 71% | 0.707 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -2 | -176.4 | -78.2 | 174.1 | 0 | 0 | 0 | 115.6 | L31 | L31-L34 HydrophobicContact CD2-CD1 4.02Š|
| 35 | N | 51.9 | Low | 60.5 | Low | 143 Ų | 143 | 108.1 Ų | 108.1 | 77% | 0.765 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | 2.4 | -169.2 | -82.7 | -44.1 | 0 | 0 | 0 | 118 | F33 | F33-N35 PolarHBondContact O-N 2.9Š|
| 36 | Q | 54.3 | Low | 62.4 | Low | 172 Ų | 172 | 102.7 Ų | 102.7 | 80% | 0.804 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.5 | -15.3 | -172.6 | -64.9 | -76.9 | -66.8 | 0 | 0 | 117.3 | V38 | Q36-V38 VanDerWaalsContact C-N 3.28Å; Q36-V38 PolarHBondContact O-N 3.39Å |
| 37 | C | 53.3 | Low | 64.5 | Low | 54 Ų | 54 | 97.4 Ų | 97.4 | 37% | 0.365 | 50% | 0.501 | S | S | . | . | trans | -81.5 | 80.4 | 176.6 | -83.3 | 0 | 0 | 0 | 0 | 110.3 | C21 F39 | C21-C37 HydrophobicContact CB-CB 4.33Å; C37-F39 PolarHBondContact O-N 2.78Å | ||
| 38 | V | 60.5 | Low | 66.4 | Low | 73 Ų | 73 | 91.8 Ų | 91.8 | 44% | 0.442 | 46% | 0.464 | S | S | . | . | trans | -70.6 | 115.3 | 158.5 | -174.9 | 0 | 0 | 0 | 0 | 106.2 | Q36 L40 F68 | Q36-V38 VanDerWaalsContact C-N 3.28Å; Q36-V38 PolarHBondContact O-N 3.39Å; V38-L40 HydrophobicContact CB-CD2 4.32Å; V38-L40 HydrophobicContact CG1-CD2 3.61Å; V38-L40 HydrophobicContact CG1-CG 4.26Å; V38-L40 PolarHBondContact O-N 3.03Å; V38-F68 HydrophobicContact CG1-CB 4.5Å; V38-F68 HydrophobicContact CG1-CD1 4.21Å | ||
| 39 | F | 72.7 | Confident | 68.2 | Low | 75 Ų | 75 | 81.8 Ų | 81.8 | 33% | 0.329 | 43% | 0.433 | S | S | . | . | trans | -73.4 | 98.8 | 175.8 | -60.3 | -72.8 | 0 | 0 | 0 | 108.8 | P17 S18 C21 C37 W42 | P17-F39 HydrophobicContact CB-CB 3.48Å; P17-F39 VanDerWaalsContact CB-CB 3.48Å; P17-F39 HydrophobicContact CB-CD1 4.16Å; P17-F39 HydrophobicContact CB-CD2 4.01Å; P17-F39 HydrophobicContact CB-CG 3.62Å; P17-F39 HydrophobicContact CG-CD2 4.47Å; P17-F39 HydrophobicContact CG-CG 4.5Å; S18-F39 WeakPolarHBondContact O-CD1 3.29Å; C21-F39 HydrophobicContact CB-CE1 4.34Å; C37-F39 PolarHBondContact O-N 2.78Å; F39-W42 PolarHBondContact O-NE1 3.37Å | ||
| 40 | L | 85 | Confident | 70.2 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 28% | 0.277 | 43% | 0.431 | S | S | . | . | trans | -87.6 | -15.8 | -178.7 | -62.8 | 177.9 | 0 | 0 | 0 | 112.9 | V38 S63 L64 P65 A66 F68 | V38-L40 HydrophobicContact CB-CD2 4.32Å; V38-L40 HydrophobicContact CG1-CD2 3.61Å; V38-L40 HydrophobicContact CG1-CG 4.26Å; V38-L40 PolarHBondContact O-N 3.03Å; L40-S63 CarbonylContact O-C 3.56Å; L40-S63 WeakPolarHBondContact O-CA 3.26Å; L40-L64 HydrophobicContact CD2-CB 4.24Å; L40-L64 WeakPolarHBondContact O-CB 3.39Å; L40-L64 PolarHBondContact O-N 3.34Å; L40-P65 WeakPolarHBondContact CD2-O 3.37Å; L40-A66 HydrophobicContact CD1-CB 4.22Å; L40-F68 HydrophobicContact CD2-CB 4.11Å | ||
| 41 | E | 86.7 | Confident | 72.1 | Confident | 107 Ų | 107 | 78.6 Ų | 78.6 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.1 | 177.7 | -71.6 | -173.9 | 171.4 | 0 | 0 | 110.1 | S18 L62 | S18-E41 WeakPolarHBondContact CB-O 3.39Å; S18-E41 PolarHBondContact N-O 2.66Å; S18-E41 VanDerWaalsContact OG-CB 3.31Å; S18-E41 WeakPolarHBondContact OG-CB 3.4Å; S18-E41 PolarHBondContact OG-O 3.19Å; S18-E41 VanDerWaalsContact OG-O 3.06Å; E41-L62 CarbonylContact C-O 3.55Å; E41-L62 WeakPolarHBondContact CA-O 3.4Å |
| 42 | W | 87 | Confident | 74.1 | Confident | 72 Ų | 72 | 77 Ų | 77 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.1 | -177.5 | -71.2 | 43 | 0 | 0 | 0 | 108.2 | C15 I16 F39 Q61 L62 L64 | C15-W42 HydrophobicContact CB-CE3 4.06Å; I16-W42 CarbonylContact O-C 3.37Å; I16-W42 WeakPolarHBondContact O-CA 3.46Å; F39-W42 PolarHBondContact O-NE1 3.37Å; W42-Q61 CarbonylContact O-C 3.58Å; W42-Q61 WeakPolarHBondContact O-CA 3.38Å; W42-L62 HydrophobicContact CB-CB 4.19Å; W42-L62 PolarHBondContact N-O 2.83Å; W42-L62 PolarHBondContact O-N 3.21Å; W42-L64 HydrophobicContact CD2-CD1 4.5Å; W42-L64 HydrophobicContact CG-CD1 4.47Å; W42-L64 HydrophobicContact CZ2-CD1 4.43Å |
| 43 | N | 88.2 | Confident | 76.1 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.9 | 174.7 | -67.3 | -89.8 | 0 | 0 | 0 | 108.5 | C15 I16 S18 Q61 | C15-N43 CarbonylContact C-O 3.55Å; C15-N43 WeakPolarHBondContact CA-O 3.4Å; I16-N43 PolarHBondContact N-O 2.91Å; I16-N43 PolarHBondContact O-N 3.13Å; S18-N43 WeakPolarHBondContact CB-ND2 3.38Å; N43-Q61 VanDerWaalsContact OD1-CG 3.3Å; N43-Q61 WeakPolarHBondContact OD1-CG 3.35Å; N43-Q61 PolarHBondContact OD1-NE2 3.11Å |
| 44 | G | 87.5 | Confident | 77.8 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 164.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y14 R59 F60 | Y14-G44 CarbonylContact O-C 3.45Å; Y14-G44 WeakPolarHBondContact O-CA 3.37Å; G44-R59 WeakPolarHBondContact O-CA 3.23Å; G44-F60 VanDerWaalsContact C-CE1 3.5Å; G44-F60 PolarHBondContact N-O 2.88Å; G44-F60 PolarHBondContact O-N 3.16Å |
| 45 | L | 89.7 | Confident | 79.9 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.8 | 174.3 | -66.2 | 174.4 | 0 | 0 | 0 | 109.2 | V13 Y14 F47 I57 F58 R59 | V13-L45 WeakPolarHBondContact CA-O 3.23Å; Y14-L45 PolarHBondContact N-O 2.96Å; Y14-L45 PolarHBondContact O-N 3.11Å; L45-F47 HydrophobicContact CB-CD2 4.38Å; L45-F47 HydrophobicContact CB-CE2 3.64Å; L45-F47 HydrophobicContact CB-CZ 4.17Å; L45-F47 HydrophobicContact CD1-CE2 4.39Å; L45-F47 HydrophobicContact CD1-CZ 4.2Å; L45-I57 HydrophobicContact CD2-CG2 4.32Å; L45-F58 CarbonylContact C-O 3.54Å; L45-F58 WeakPolarHBondContact CA-O 3.35Å; L45-R59 HydrophobicContact CD2-CB 3.87Å; L45-R59 HydrophobicContact CD2-CG 3.94Å |
| 46 | L | 87.4 | Confident | 81.6 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116 | 177.3 | -177.5 | 66.9 | 0 | 0 | 0 | 108.8 | L10 V13 V48 I57 F58 F60 F79 | L10-L46 HydrophobicContact CD1-CD1 3.73Å; L10-L46 HydrophobicContact CD2-CD1 3.41Å; L10-L46 VanDerWaalsContact CD2-CD1 3.41Å; L10-L46 HydrophobicContact CD2-CD2 4.22Å; L10-L46 HydrophobicContact CD2-CG 3.94Å; L10-L46 HydrophobicContact CG-CD1 4.11Å; V13-L46 HydrophobicContact CG2-CD1 3.59Å; L46-V48 HydrophobicContact CG-CG2 4.48Å; L46-I57 CarbonylContact O-C 3.57Å; L46-I57 WeakPolarHBondContact O-CA 3.19Å; L46-F58 HydrophobicContact CB-CB 4.25Å; L46-F58 HydrophobicContact CD2-CD2 4.39Å; L46-F58 PolarHBondContact N-O 3.07Å; L46-F58 PolarHBondContact O-N 3.04Å; L46-F60 HydrophobicContact CB-CD1 4.31Å; L46-F60 HydrophobicContact CB-CE1 4.37Å; L46-F79 HydrophobicContact CD2-CE1 4.12Å; L46-F79 HydrophobicContact CD2-CZ 4.11Å |
| 47 | F | 88.8 | Confident | 83.3 | Confident | 56 Ų | 56 | 62 Ų | 62 | 25% | 0.246 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.9 | 177.2 | -63 | -99.6 | 0 | 0 | 0 | 109.2 | Q11 S12 L45 I57 | Q11-F47 HydrophobicContact CB-CB 4.05Å; Q11-F47 WeakPolarHBondContact CB-O 3.3Å; Q11-F47 PolarHBondContact N-O 2.83Å; S12-F47 PolarHBondContact O-N 2.81Å; S12-F47 VanDerWaalsContact OG-CD2 3.25Å; S12-F47 WeakPolarHBondContact OG-CD2 3.45Å; L45-F47 HydrophobicContact CB-CD2 4.38Å; L45-F47 HydrophobicContact CB-CE2 3.64Å; L45-F47 HydrophobicContact CB-CZ 4.17Å; L45-F47 HydrophobicContact CD1-CE2 4.39Å; L45-F47 HydrophobicContact CD1-CZ 4.2Å; F47-I57 HydrophobicContact CD1-CB 4.44Å; F47-I57 HydrophobicContact CD1-CD1 3.97Å; F47-I57 HydrophobicContact CD1-CG1 3.7Å; F47-I57 HydrophobicContact CD1-CG2 4.09Å; F47-I57 HydrophobicContact CE1-CB 4.47Å; F47-I57 HydrophobicContact CE1-CD1 3.71Å; F47-I57 HydrophobicContact CE1-CG1 3.88Å; F47-I57 HydrophobicContact CE1-CG2 3.79Å; F47-I57 HydrophobicContact CZ-CG2 4.08Å |
| 48 | V | 85.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.9 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | L8 L10 L46 Y53 G55 G56 F58 | L8-V48 HydrophobicContact CD2-CG1 4.01Å; L10-V48 HydrophobicContact CD2-CG2 4.28Å; L46-V48 HydrophobicContact CG-CG2 4.48Å; V48-Y53 VanDerWaalsContact CB-O 3.29Å; V48-Y53 WeakPolarHBondContact CB-O 2.92Å; V48-Y53 WeakPolarHBondContact CG1-O 3.43Å; V48-G55 PolarHBondContact O-N 2.8Å; V48-G56 PolarHBondContact N-O 3.42Å; V48-F58 HydrophobicContact CG2-CD2 3.93Å; V48-F58 HydrophobicContact CG2-CE2 3.72Å |
| 49 | G | 85.2 | Confident | 86.7 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -33.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K9 Q54 | K9-G49 WeakPolarHBondContact O-CA 3.37Å; K9-G49 PolarHBondContact O-N 2.84Å; G49-Q54 VanDerWaalsContact O-CG 3.3Å; G49-Q54 WeakPolarHBondContact O-CG 3.49Å |
| 50 | R | 84.5 | Confident | 87.6 | Confident | 157 Ų | 157 | 61.7 Ų | 61.7 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 156.1 | 179.3 | -62.8 | -173.9 | 177.3 | -177.3 | -2.2 | 111.8 | L8 K9 | L8-R50 WeakPolarHBondContact CA-O 3.42Å; K9-R50 HydrophobicContact CB-CB 3.99Å; K9-R50 HydrophobicContact CB-CG 4.42Å; K9-R50 PolarHBondContact N-O 3.48Å; K9-R50 VanDerWaalsContact N-O 3.13Å; K9-R50 PolarHBondContact O-N 2.81Å |
| 51 | G | 84.5 | Confident | 87.9 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 105.1 | -169.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y53 Q54 | G51-Y53 PolarHBondContact O-N 2.83Å; G51-Y53 VanDerWaalsContact O-N 3.09Å; G51-Q54 VanDerWaalsContact O-CB 3.23Å; G51-Q54 WeakPolarHBondContact O-CB 3.3Å; G51-Q54 PolarHBondContact O-N 3.02Å |
| 52 | P | 85 | Confident | 87.9 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 66% | 0.656 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.4 | -173.5 | 21.7 | -34.3 | 0 | 0 | 0 | 114.8 | L8 | L8-P52 HydrophobicContact CD2-CG 4.04Š|
| 53 | Y | 86 | Confident | 88 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 19.5 | 176.5 | -50.4 | -76.5 | 0 | 0 | 0 | 112.9 | L8 V48 G51 G55 G56 F58 Y84 H85 | L8-Y53 HydrophobicContact CD1-CD2 4.02Å; L8-Y53 HydrophobicContact CD1-CE2 4.2Å; L8-Y53 HydrophobicContact CD2-CD2 3.71Å; V48-Y53 VanDerWaalsContact CB-O 3.29Å; V48-Y53 WeakPolarHBondContact CB-O 2.92Å; V48-Y53 WeakPolarHBondContact CG1-O 3.43Å; G51-Y53 PolarHBondContact O-N 2.83Å; G51-Y53 VanDerWaalsContact O-N 3.09Å; Y53-G55 PolarHBondContact O-N 2.74Å; Y53-G56 WeakPolarHBondContact O-CA 3.34Å; Y53-G56 PolarHBondContact O-N 3.11Å; Y53-F58 HydrophobicContact CD1-CZ 4.2Å; Y53-F58 HydrophobicContact CG-CE2 4.4Å; Y53-F58 HydrophobicContact CG-CZ 4.34Å; Y53-Y84 VanDerWaalsContact CE1-O 3.26Å; Y53-Y84 WeakPolarHBondContact CE1-O 2.85Å; Y53-Y84 PolarHBondContact OH-O 2.78Å; Y53-H85 AromaticContact CE2-CD2 3.56Å; Y53-H85 AromaticContact CZ-CD2 3.73Å; Y53-H85 PolarHBondContact OH-CD2 2.83Å |
| 54 | Q | 86.5 | Confident | 88 | Confident | 132 Ų | 132 | 56 Ų | 56 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 133.6 | 180 | 172.8 | 169.2 | -6.8 | 0 | 0 | 111.8 | G49 G51 G56 | G49-Q54 VanDerWaalsContact O-CG 3.3Å; G49-Q54 WeakPolarHBondContact O-CG 3.49Å; G51-Q54 VanDerWaalsContact O-CB 3.23Å; G51-Q54 WeakPolarHBondContact O-CB 3.3Å; G51-Q54 PolarHBondContact O-N 3.02Å; Q54-G56 PolarHBondContact O-N 2.99Å |
| 55 | G | 86.9 | Confident | 87.9 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 66% | 0.66 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -5.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V48 Y53 | V48-G55 PolarHBondContact O-N 2.8Å; Y53-G55 PolarHBondContact O-N 2.74Å |
| 56 | G | 88.1 | Confident | 87.6 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | trans | -69.7 | 138.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V48 Y53 Q54 | V48-G56 PolarHBondContact N-O 3.42Å; Y53-G56 WeakPolarHBondContact O-CA 3.34Å; Y53-G56 PolarHBondContact O-N 3.11Å; Q54-G56 PolarHBondContact O-N 2.99Å | ||
| 57 | I | 90.8 | Very high | 87.3 | Confident | 98 Ų | 98 | 62.4 Ų | 62.4 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.8 | 171.2 | -54.3 | 174.3 | 0 | 0 | 0 | 106.9 | L45 L46 F47 | L45-I57 HydrophobicContact CD2-CG2 4.32Å; L46-I57 CarbonylContact O-C 3.57Å; L46-I57 WeakPolarHBondContact O-CA 3.19Å; F47-I57 HydrophobicContact CD1-CB 4.44Å; F47-I57 HydrophobicContact CD1-CD1 3.97Å; F47-I57 HydrophobicContact CD1-CG1 3.7Å; F47-I57 HydrophobicContact CD1-CG2 4.09Å; F47-I57 HydrophobicContact CE1-CB 4.47Å; F47-I57 HydrophobicContact CE1-CD1 3.71Å; F47-I57 HydrophobicContact CE1-CG1 3.88Å; F47-I57 HydrophobicContact CE1-CG2 3.79Å; F47-I57 HydrophobicContact CZ-CG2 4.08Å |
| 58 | F | 91.9 | Very high | 86.9 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.2 | -174.9 | -54.9 | -64.5 | 0 | 0 | 0 | 111 | L45 L46 V48 Y53 F79 S81 V83 | L45-F58 CarbonylContact C-O 3.54Å; L45-F58 WeakPolarHBondContact CA-O 3.35Å; L46-F58 HydrophobicContact CB-CB 4.25Å; L46-F58 HydrophobicContact CD2-CD2 4.39Å; L46-F58 PolarHBondContact N-O 3.07Å; L46-F58 PolarHBondContact O-N 3.04Å; V48-F58 HydrophobicContact CG2-CD2 3.93Å; V48-F58 HydrophobicContact CG2-CE2 3.72Å; Y53-F58 HydrophobicContact CD1-CZ 4.2Å; Y53-F58 HydrophobicContact CG-CE2 4.4Å; Y53-F58 HydrophobicContact CG-CZ 4.34Å; F58-F79 HydrophobicContact CB-CD1 3.87Å; F58-F79 HydrophobicContact CB-CE1 3.75Å; F58-S81 WeakPolarHBondContact CA-OG 3.42Å; F58-V83 HydrophobicContact CB-CG2 4.22Å; F58-V83 HydrophobicContact CD1-CG2 3.46Å; F58-V83 VanDerWaalsContact CD1-CG2 3.46Å; F58-V83 HydrophobicContact CE1-CG2 3.98Å; F58-V83 HydrophobicContact CG-CG2 3.96Å |
| 59 | R | 92.2 | Very high | 86.4 | Confident | 149 Ų | 149 | 66.4 Ų | 66.4 | 56% | 0.562 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.8 | 176.7 | -167.2 | -176.3 | -59.3 | 169.1 | 3.1 | 109 | G44 L45 F79 T80 S81 | G44-R59 WeakPolarHBondContact O-CA 3.23Å; L45-R59 HydrophobicContact CD2-CB 3.87Å; L45-R59 HydrophobicContact CD2-CG 3.94Å; R59-F79 CarbonylContact O-C 3.59Å; R59-F79 WeakPolarHBondContact O-CA 3.43Å; R59-T80 WeakPolarHBondContact CB-OG1 3.5Å; R59-T80 WeakPolarHBondContact CD-OG1 3.39Å; R59-T80 VanDerWaalsContact CG-OG1 3.23Å; R59-T80 WeakPolarHBondContact CG-OG1 3.44Å; R59-T80 PolarHBondContact O-N 2.81Å; R59-T80 PolarHBondContact O-OG1 3.38Å; R59-S81 PolarHBondContact N-OG 2.83Å; R59-S81 PolarHBondContact O-N 2.75Å; R59-S81 PolarHBondContact O-OG 2.79Å |
| 60 | F | 91.6 | Very high | 86.2 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 7% | 0.07 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 159.7 | 177.2 | 69.5 | -89.5 | 0 | 0 | 0 | 111.5 | V13 G44 L46 L62 L77 K78 F79 | V13-F60 HydrophobicContact CG1-CE1 3.88Å; V13-F60 HydrophobicContact CG1-CZ 3.79Å; G44-F60 VanDerWaalsContact C-CE1 3.5Å; G44-F60 PolarHBondContact N-O 2.88Å; G44-F60 PolarHBondContact O-N 3.16Å; L46-F60 HydrophobicContact CB-CD1 4.31Å; L46-F60 HydrophobicContact CB-CE1 4.37Å; F60-L62 HydrophobicContact CD2-CB 4.41Å; F60-L62 HydrophobicContact CE2-CB 4.3Å; F60-L77 HydrophobicContact CB-CD2 4.14Å; F60-L77 HydrophobicContact CD2-CD1 4.29Å; F60-L77 HydrophobicContact CD2-CG 4.21Å; F60-K78 CarbonylContact C-O 3.54Å; F60-K78 WeakPolarHBondContact CA-O 3.11Å; F60-K78 WeakPolarHBondContact CB-O 3.47Å; F60-F79 HydrophobicContact CB-CD1 3.82Å; F60-F79 HydrophobicContact CB-CE1 3.98Å; F60-F79 HydrophobicContact CB-CG 4.47Å |
| 61 | Q | 90.7 | Very high | 86 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.7 | 171.7 | -73.1 | -177.6 | -42.5 | 0 | 0 | 107.7 | W42 N43 L77 K78 T80 | W42-Q61 CarbonylContact O-C 3.58Å; W42-Q61 WeakPolarHBondContact O-CA 3.38Å; N43-Q61 VanDerWaalsContact OD1-CG 3.3Å; N43-Q61 WeakPolarHBondContact OD1-CG 3.35Å; N43-Q61 PolarHBondContact OD1-NE2 3.11Å; Q61-L77 WeakPolarHBondContact O-CA 3.4Å; Q61-K78 PolarHBondContact N-O 2.86Å; Q61-K78 PolarHBondContact O-N 3.32Å; Q61-T80 HydrophobicContact CB-CG2 4.41Å; Q61-T80 VanDerWaalsContact CD-CG2 3.49Å; Q61-T80 HydrophobicContact CG-CG2 3.67Å; Q61-T80 VanDerWaalsContact OE1-CG2 3.26Å |
| 62 | L | 88.5 | Confident | 85.7 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.2 | 178.5 | 174.1 | 68.8 | 0 | 0 | 0 | 108 | E41 W42 F60 L64 F75 N76 L77 | E41-L62 CarbonylContact C-O 3.55Å; E41-L62 WeakPolarHBondContact CA-O 3.4Å; W42-L62 HydrophobicContact CB-CB 4.19Å; W42-L62 PolarHBondContact N-O 2.83Å; W42-L62 PolarHBondContact O-N 3.21Å; F60-L62 HydrophobicContact CD2-CB 4.41Å; F60-L62 HydrophobicContact CE2-CB 4.3Å; L62-L64 HydrophobicContact CD1-CD2 4.44Å; L62-L64 HydrophobicContact CD2-CD2 3.91Å; L62-L64 HydrophobicContact CG-CD2 3.98Å; L62-L64 HydrophobicContact CG-CG 4.39Å; L62-F75 HydrophobicContact CD1-CB 4.11Å; L62-F75 HydrophobicContact CD1-CD2 3.32Å; L62-F75 HydrophobicContact CD1-CE2 3.91Å; L62-F75 HydrophobicContact CD1-CG 3.94Å; L62-N76 WeakPolarHBondContact CA-O 3.45Å; L62-L77 HydrophobicContact CD1-CB 4.41Å |
| 63 | S | 88.6 | Confident | 85.5 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 110.8 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | L40 F75 N76 | L40-S63 CarbonylContact O-C 3.56Å; L40-S63 WeakPolarHBondContact O-CA 3.26Å; S63-F75 WeakPolarHBondContact O-CA 2.77Å; S63-N76 PolarHBondContact N-O 3.32Å; S63-N76 PolarHBondContact O-N 2.9Å |
| 64 | L | 86.8 | Confident | 85.4 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 13% | 0.126 | 41% | 0.412 | C | S | . | . | trans | -85.2 | 152.8 | 178.9 | -60.6 | 175.3 | 0 | 0 | 0 | 110.7 | L40 W42 L62 F68 F75 | L40-L64 HydrophobicContact CD2-CB 4.24Å; L40-L64 WeakPolarHBondContact O-CB 3.39Å; L40-L64 PolarHBondContact O-N 3.34Å; W42-L64 HydrophobicContact CD2-CD1 4.5Å; W42-L64 HydrophobicContact CG-CD1 4.47Å; W42-L64 HydrophobicContact CZ2-CD1 4.43Å; L62-L64 HydrophobicContact CD1-CD2 4.44Å; L62-L64 HydrophobicContact CD2-CD2 3.91Å; L62-L64 HydrophobicContact CG-CD2 3.98Å; L62-L64 HydrophobicContact CG-CG 4.39Å; L64-F68 HydrophobicContact CB-CB 4.3Å; L64-F68 HydrophobicContact CB-CD2 4.46Å; L64-F68 HydrophobicContact CB-CG 4.36Å; L64-F68 HydrophobicContact CD1-CD1 4.11Å; L64-F68 HydrophobicContact CD1-CD2 4.05Å; L64-F68 HydrophobicContact CD1-CE1 4.19Å; L64-F68 HydrophobicContact CD1-CE2 4.13Å; L64-F68 HydrophobicContact CD1-CG 4.05Å; L64-F68 HydrophobicContact CD1-CZ 4.19Å; L64-F68 HydrophobicContact CD2-CD2 4.35Å; L64-F68 HydrophobicContact CD2-CE2 4.48Å; L64-F75 HydrophobicContact CD2-CB 4.48Å | ||
| 65 | P | 85.4 | Confident | 85.4 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 14% | 0.143 | 39% | 0.392 | C | S | . | . | trans | -69.3 | 150.2 | 178 | 30 | -36.9 | 0 | 0 | 0 | 111.6 | L40 L67 F68 V71 | L40-P65 WeakPolarHBondContact CD2-O 3.37Å; P65-L67 PolarHBondContact O-N 2.96Å; P65-F68 HydrophobicContact CG-CB 4.48Å; P65-F68 WeakPolarHBondContact O-CB 3.15Å; P65-F68 PolarHBondContact O-N 2.81Å; P65-V71 HydrophobicContact CB-CG1 4.29Å; P65-V71 HydrophobicContact CG-CB 4.3Å; P65-V71 HydrophobicContact CG-CG1 4.03Å; P65-V71 WeakPolarHBondContact CG-O 3.31Å | ||
| 66 | A | 83.4 | Confident | 85.5 | Confident | 80 Ų | 80 | 69.5 Ų | 69.5 | 66% | 0.661 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -24.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | L40 F68 | L40-A66 HydrophobicContact CD1-CB 4.22Å; A66-F68 VanDerWaalsContact C-N 3.33Å |
| 67 | L | 82.6 | Confident | 85.6 | Confident | 117 Ų | 117 | 70 Ų | 70 | 61% | 0.613 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 11.2 | 177.7 | -60.4 | 177.6 | 0 | 0 | 0 | 112.9 | P65 N70 V71 | P65-L67 PolarHBondContact O-N 2.96Å; L67-N70 WeakPolarHBondContact O-CA 3.43Å; L67-N70 VanDerWaalsContact O-CB 3.3Å; L67-N70 WeakPolarHBondContact O-CB 3.37Å; L67-N70 PolarHBondContact O-N 3.27Å; L67-V71 HydrophobicContact CB-CB 3.93Å; L67-V71 HydrophobicContact CB-CG2 3.71Å; L67-V71 HydrophobicContact CD1-CG2 4.08Å; L67-V71 PolarHBondContact O-N 2.77Å |
| 68 | F | 80 | Confident | 85.6 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 26% | 0.259 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 135.9 | 170.6 | -175.9 | -90.6 | 0 | 0 | 0 | 109.9 | V38 L40 L64 P65 A66 V71 T72 | V38-F68 HydrophobicContact CG1-CB 4.5Å; V38-F68 HydrophobicContact CG1-CD1 4.21Å; L40-F68 HydrophobicContact CD2-CB 4.11Å; L64-F68 HydrophobicContact CB-CB 4.3Å; L64-F68 HydrophobicContact CB-CD2 4.46Å; L64-F68 HydrophobicContact CB-CG 4.36Å; L64-F68 HydrophobicContact CD1-CD1 4.11Å; L64-F68 HydrophobicContact CD1-CD2 4.05Å; L64-F68 HydrophobicContact CD1-CE1 4.19Å; L64-F68 HydrophobicContact CD1-CE2 4.13Å; L64-F68 HydrophobicContact CD1-CG 4.05Å; L64-F68 HydrophobicContact CD1-CZ 4.19Å; L64-F68 HydrophobicContact CD2-CD2 4.35Å; L64-F68 HydrophobicContact CD2-CE2 4.48Å; P65-F68 HydrophobicContact CG-CB 4.48Å; P65-F68 WeakPolarHBondContact O-CB 3.15Å; P65-F68 PolarHBondContact O-N 2.81Å; A66-F68 VanDerWaalsContact C-N 3.33Å; F68-V71 WeakPolarHBondContact CA-O 3.42Å; F68-T72 HydrophobicContact CE2-CG2 4.46Å |
| 69 | P | 74.6 | Confident | 85.6 | Confident | 88 Ų | 88 | 69 Ų | 69 | 57% | 0.571 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.5 | -3.7 | 8.2 | 35.5 | -36.3 | 0 | 0 | 0 | 115.3 | V71 | P69-V71 PolarHBondContact O-N 2.83Š|
| 70 | N | 81.3 | Confident | 85.6 | Confident | 150 Ų | 150 | 65 Ų | 65 | 80% | 0.802 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -33.3 | -177.9 | -62.2 | -21.1 | 0 | 0 | 0 | 112.1 | L67 | L67-N70 WeakPolarHBondContact O-CA 3.43Å; L67-N70 VanDerWaalsContact O-CB 3.3Å; L67-N70 WeakPolarHBondContact O-CB 3.37Å; L67-N70 PolarHBondContact O-N 3.27Å |
| 71 | V | 81.4 | Confident | 85.5 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | trans | -117.6 | 128 | 173.4 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | P65 L67 F68 P69 Y73 | P65-V71 HydrophobicContact CB-CG1 4.29Å; P65-V71 HydrophobicContact CG-CB 4.3Å; P65-V71 HydrophobicContact CG-CG1 4.03Å; P65-V71 WeakPolarHBondContact CG-O 3.31Å; L67-V71 HydrophobicContact CB-CB 3.93Å; L67-V71 HydrophobicContact CB-CG2 3.71Å; L67-V71 HydrophobicContact CD1-CG2 4.08Å; L67-V71 PolarHBondContact O-N 2.77Å; F68-V71 WeakPolarHBondContact CA-O 3.42Å; P69-V71 PolarHBondContact O-N 2.83Å; V71-Y73 WeakPolarHBondContact CG1-O 3.49Å | ||
| 72 | T | 77.4 | Confident | 85.3 | Confident | 79 Ų | 79 | 67 Ų | 67 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | trans | -107.7 | -13.1 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | F68 | F68-T72 HydrophobicContact CE2-CG2 4.46Š| ||
| 73 | Y | 81.9 | Confident | 85.2 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | trans | -136 | 149.2 | 177.4 | -77.6 | -91.3 | 0 | 0 | 0 | 111 | V71 F75 | V71-Y73 WeakPolarHBondContact CG1-O 3.49Å; Y73-F75 AromaticContact CD1-CD1 3.65Å; Y73-F75 HydrophobicContact CD1-CD1 3.65Å; Y73-F75 AromaticContact CD1-CE1 3.81Å; Y73-F75 HydrophobicContact CD1-CE1 3.81Å; Y73-F75 AromaticContact CE1-CD1 3.49Å; Y73-F75 HydrophobicContact CE1-CD1 3.49Å; Y73-F75 VanDerWaalsContact CE1-CD1 3.49Å; Y73-F75 AromaticContact CE1-CE1 3.11Å; Y73-F75 HydrophobicContact CE1-CE1 3.11Å; Y73-F75 HydrophobicContact CE1-CZ 4.05Å; Y73-F75 HydrophobicContact CE2-CD1 4.49Å; Y73-F75 HydrophobicContact CE2-CE1 4.21Å; Y73-F75 HydrophobicContact CG-CD1 4.26Å; Y73-F75 AromaticContact CZ-CD1 3.95Å; Y73-F75 AromaticContact CZ-CE1 3.36Å; Y73-F75 WeakPolarHBondContact OH-CE1 3.38Å | ||
| 74 | P | 83.9 | Confident | 85.1 | Confident | 112 Ų | 112 | 72 Ų | 72 | 73% | 0.727 | 40% | 0.395 | S | S | * | . | S | Bend | cis | -72.8 | 145.4 | -2.6 | 31 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 75 | F | 86.4 | Confident | 85.1 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 19% | 0.189 | 40% | 0.403 | C | S | . | . | trans | -116.3 | 153.3 | 164.1 | 68.1 | -102.4 | 0 | 0 | 0 | 108.5 | L62 S63 L64 Y73 L77 L100 | L62-F75 HydrophobicContact CD1-CB 4.11Å; L62-F75 HydrophobicContact CD1-CD2 3.32Å; L62-F75 HydrophobicContact CD1-CE2 3.91Å; L62-F75 HydrophobicContact CD1-CG 3.94Å; S63-F75 WeakPolarHBondContact O-CA 2.77Å; L64-F75 HydrophobicContact CD2-CB 4.48Å; Y73-F75 AromaticContact CD1-CD1 3.65Å; Y73-F75 HydrophobicContact CD1-CD1 3.65Å; Y73-F75 AromaticContact CD1-CE1 3.81Å; Y73-F75 HydrophobicContact CD1-CE1 3.81Å; Y73-F75 AromaticContact CE1-CD1 3.49Å; Y73-F75 HydrophobicContact CE1-CD1 3.49Å; Y73-F75 VanDerWaalsContact CE1-CD1 3.49Å; Y73-F75 AromaticContact CE1-CE1 3.11Å; Y73-F75 HydrophobicContact CE1-CE1 3.11Å; Y73-F75 HydrophobicContact CE1-CZ 4.05Å; Y73-F75 HydrophobicContact CE2-CD1 4.49Å; Y73-F75 HydrophobicContact CE2-CE1 4.21Å; Y73-F75 HydrophobicContact CG-CD1 4.26Å; Y73-F75 AromaticContact CZ-CD1 3.95Å; Y73-F75 AromaticContact CZ-CE1 3.36Å; Y73-F75 WeakPolarHBondContact OH-CE1 3.38Å; F75-L77 HydrophobicContact CD2-CB 4.4Å; F75-L77 HydrophobicContact CE2-CB 4.19Å; F75-L100 HydrophobicContact CD2-CD1 4.45Å; F75-L100 HydrophobicContact CE2-CB 4.28Å; F75-L100 HydrophobicContact CE2-CD1 3.71Å; F75-L100 HydrophobicContact CE2-CD2 4.38Å; F75-L100 HydrophobicContact CE2-CG 4.35Å; F75-L100 HydrophobicContact CZ-CB 4.04Å; F75-L100 HydrophobicContact CZ-CD1 4.31Å | ||
| 76 | N | 87.9 | Confident | 85.1 | Confident | 63 Ų | 63 | 79 Ų | 79 | 34% | 0.337 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.6 | 172.1 | 171.9 | -89.5 | 0 | 0 | 0 | 108.8 | L62 S63 D94 | L62-N76 WeakPolarHBondContact CA-O 3.45Å; S63-N76 PolarHBondContact N-O 3.32Å; S63-N76 PolarHBondContact O-N 2.9Å; N76-D94 PolarHBondContact ND2-OD1 3.1Å; N76-D94 PolarHBondContact OD1-OD1 3.45Å |
| 77 | L | 89.7 | Confident | 85.2 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.8 | 172.8 | -170 | 155.4 | 0 | 0 | 0 | 107.8 | F60 Q61 L62 F75 F79 V95 L100 | F60-L77 HydrophobicContact CB-CD2 4.14Å; F60-L77 HydrophobicContact CD2-CD1 4.29Å; F60-L77 HydrophobicContact CD2-CG 4.21Å; Q61-L77 WeakPolarHBondContact O-CA 3.4Å; L62-L77 HydrophobicContact CD1-CB 4.41Å; F75-L77 HydrophobicContact CD2-CB 4.4Å; F75-L77 HydrophobicContact CE2-CB 4.19Å; L77-F79 HydrophobicContact CD2-CD2 4.19Å; L77-F79 HydrophobicContact CD2-CE2 3.88Å; L77-F79 HydrophobicContact CD2-CZ 4.14Å; L77-V95 HydrophobicContact CD2-CB 4.29Å; L77-V95 HydrophobicContact CD2-CG2 3.45Å; L77-V95 VanDerWaalsContact CD2-CG2 3.45Å; L77-V95 WeakPolarHBondContact O-CG2 3.13Å; L77-V95 PolarHBondContact O-N 3.41Å; L77-L100 HydrophobicContact CB-CD1 3.89Å; L77-L100 HydrophobicContact CD1-CD2 4.3Å |
| 78 | K | 91.9 | Very high | 85.6 | Confident | 79 Ų | 79 | 71 Ų | 71 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.5 | -177 | -174.5 | -175.2 | -171.5 | -179 | 0 | 110.3 | F60 Q61 T92 G93 | F60-K78 CarbonylContact C-O 3.54Å; F60-K78 WeakPolarHBondContact CA-O 3.11Å; F60-K78 WeakPolarHBondContact CB-O 3.47Å; Q61-K78 PolarHBondContact N-O 2.86Å; Q61-K78 PolarHBondContact O-N 3.32Å; K78-T92 WeakPolarHBondContact CE-O 3.42Å; K78-G93 CarbonylContact C-O 3.56Å; K78-G93 WeakPolarHBondContact CA-O 3.2Å |
| 79 | F | 92.4 | Very high | 86.1 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 12% | 0.123 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 126.8 | 169.4 | -73.5 | -76.9 | 0 | 0 | 0 | 110.2 | L46 F58 R59 F60 L77 V83 V88 G93 V95 | L46-F79 HydrophobicContact CD2-CE1 4.12Å; L46-F79 HydrophobicContact CD2-CZ 4.11Å; F58-F79 HydrophobicContact CB-CD1 3.87Å; F58-F79 HydrophobicContact CB-CE1 3.75Å; R59-F79 CarbonylContact O-C 3.59Å; R59-F79 WeakPolarHBondContact O-CA 3.43Å; F60-F79 HydrophobicContact CB-CD1 3.82Å; F60-F79 HydrophobicContact CB-CE1 3.98Å; F60-F79 HydrophobicContact CB-CG 4.47Å; L77-F79 HydrophobicContact CD2-CD2 4.19Å; L77-F79 HydrophobicContact CD2-CE2 3.88Å; L77-F79 HydrophobicContact CD2-CZ 4.14Å; F79-V83 HydrophobicContact CB-CB 4.45Å; F79-V83 HydrophobicContact CB-CG2 3.87Å; F79-V83 HydrophobicContact CD1-CG2 3.92Å; F79-V83 HydrophobicContact CD2-CG2 4.42Å; F79-V83 HydrophobicContact CG-CB 4.47Å; F79-V83 HydrophobicContact CG-CG2 3.82Å; F79-V88 HydrophobicContact CD2-CG1 4.05Å; F79-V88 HydrophobicContact CD2-CG2 3.88Å; F79-V88 HydrophobicContact CE2-CG2 4Å; F79-G93 PolarHBondContact N-O 3.4Å; F79-V95 HydrophobicContact CD2-CG2 3.56Å; F79-V95 HydrophobicContact CE2-CG2 3.51Å |
| 80 | T | 90.6 | Very high | 86.7 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 41% | 0.405 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -92.6 | -19 | 174 | 51.6 | 0 | 0 | 0 | 0 | 112 | R59 Q61 | R59-T80 WeakPolarHBondContact CB-OG1 3.5Å; R59-T80 WeakPolarHBondContact CD-OG1 3.39Å; R59-T80 VanDerWaalsContact CG-OG1 3.23Å; R59-T80 WeakPolarHBondContact CG-OG1 3.44Å; R59-T80 PolarHBondContact O-N 2.81Å; R59-T80 PolarHBondContact O-OG1 3.38Å; Q61-T80 HydrophobicContact CB-CG2 4.41Å; Q61-T80 VanDerWaalsContact CD-CG2 3.49Å; Q61-T80 HydrophobicContact CG-CG2 3.67Å; Q61-T80 VanDerWaalsContact OE1-CG2 3.26Å |
| 81 | S | 89.2 | Confident | 87 | Confident | 33 Ų | 33 | 72.5 Ų | 72.5 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -79.8 | 150.2 | 165.3 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | F58 R59 V83 | F58-S81 WeakPolarHBondContact CA-OG 3.42Å; R59-S81 PolarHBondContact N-OG 2.83Å; R59-S81 PolarHBondContact O-N 2.75Å; R59-S81 PolarHBondContact O-OG 2.79Å; S81-V83 PolarHBondContact O-N 2.66Å; S81-V83 VanDerWaalsContact O-N 3.11Å |
| 82 | S | 86.6 | Confident | 87.4 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | trans | -65.7 | 110.7 | 170.1 | -172 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 83 | V | 87.3 | Confident | 88 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | trans | -118.4 | 126.2 | 179.6 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | F58 F79 S81 H85 V88 Q90 | F58-V83 HydrophobicContact CB-CG2 4.22Å; F58-V83 HydrophobicContact CD1-CG2 3.46Å; F58-V83 VanDerWaalsContact CD1-CG2 3.46Å; F58-V83 HydrophobicContact CE1-CG2 3.98Å; F58-V83 HydrophobicContact CG-CG2 3.96Å; F79-V83 HydrophobicContact CB-CB 4.45Å; F79-V83 HydrophobicContact CB-CG2 3.87Å; F79-V83 HydrophobicContact CD1-CG2 3.92Å; F79-V83 HydrophobicContact CD2-CG2 4.42Å; F79-V83 HydrophobicContact CG-CB 4.47Å; F79-V83 HydrophobicContact CG-CG2 3.82Å; S81-V83 PolarHBondContact O-N 2.66Å; S81-V83 VanDerWaalsContact O-N 3.11Å; V83-H85 HydrophobicContact CG1-CB 3.82Å; V83-V88 HydrophobicContact CG1-CG2 4.38Å; V83-Q90 PolarHBondContact O-NE2 3.45Å; V83-Q90 PolarHBondContact O-OE1 3.06Å | ||
| 84 | Y | 87.4 | Confident | 88.4 | Confident | 169 Ų | 169 | 66.3 Ų | 66.3 | 66% | 0.663 | 36% | 0.363 | S | S | * | . | trans | -96.6 | 91.5 | 170.9 | -65.4 | -80.3 | 0 | 0 | 0 | 109 | Y53 Q90 | Y53-Y84 VanDerWaalsContact CE1-O 3.26Å; Y53-Y84 WeakPolarHBondContact CE1-O 2.85Å; Y53-Y84 PolarHBondContact OH-O 2.78Å; Y84-Q90 HydrophobicContact CD1-CG 4.46Å; Y84-Q90 VanDerWaalsContact CD1-OE1 3.26Å; Y84-Q90 HydrophobicContact CE1-CG 4.34Å | ||
| 85 | H | 84.9 | Confident | 88.6 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 29% | 0.292 | 33% | 0.334 | S | S | . | . | trans | -140.8 | 136.9 | 178.9 | -176.5 | -81.8 | 0 | 0 | 0 | 110.4 | Y53 V83 A87 V88 | Y53-H85 AromaticContact CE2-CD2 3.56Å; Y53-H85 AromaticContact CZ-CD2 3.73Å; Y53-H85 PolarHBondContact OH-CD2 2.83Å; V83-H85 HydrophobicContact CG1-CB 3.82Å; H85-A87 WeakPolarHBondContact ND1-CB 3.28Å; H85-A87 PolarHBondContact ND1-N 2.85Å; H85-A87 VanDerWaalsContact ND1-N 3.11Å; H85-A87 PolarHBondContact O-N 2.83Å; H85-V88 HydrophobicContact CB-CB 4.31Å; H85-V88 HydrophobicContact CB-CG2 3.82Å; H85-V88 PolarHBondContact O-N 2.95Å | ||
| 86 | P | 86.1 | Confident | 88.4 | Confident | 130 Ų | 130 | 63.9 Ų | 63.9 | 84% | 0.844 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.9 | -174.1 | -27.5 | 35 | 0 | 0 | 0 | 115.7 | ||
| 87 | A | 86.8 | Confident | 87.6 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 13% | 0.132 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 2.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H85 V95 D96 V99 | H85-A87 WeakPolarHBondContact ND1-CB 3.28Å; H85-A87 PolarHBondContact ND1-N 2.85Å; H85-A87 VanDerWaalsContact ND1-N 3.11Å; H85-A87 PolarHBondContact O-N 2.83Å; A87-V95 WeakPolarHBondContact O-CA 2.92Å; A87-D96 PolarHBondContact O-N 2.75Å; A87-V99 HydrophobicContact CB-CB 4.19Å; A87-V99 HydrophobicContact CB-CG1 4.04Å; A87-V99 HydrophobicContact CB-CG2 3.8Å |
| 88 | V | 89.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 125 | -177.9 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | F79 V83 H85 Q90 D94 V95 | F79-V88 HydrophobicContact CD2-CG1 4.05Å; F79-V88 HydrophobicContact CD2-CG2 3.88Å; F79-V88 HydrophobicContact CE2-CG2 4Å; V83-V88 HydrophobicContact CG1-CG2 4.38Å; H85-V88 HydrophobicContact CB-CB 4.31Å; H85-V88 HydrophobicContact CB-CG2 3.82Å; H85-V88 PolarHBondContact O-N 2.95Å; V88-Q90 PolarHBondContact O-N 3.1Å; V88-D94 WeakPolarHBondContact CA-O 3.24Å; V88-V95 HydrophobicContact CG2-CG2 4.04Å |
| 89 | D | 90.8 | Very high | 85.5 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | trans | -64.5 | 124.6 | 171.9 | -173.7 | -56.9 | 0 | 0 | 0 | 109 | L91 T92 G93 D94 | D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 3Å; D89-L91 WeakPolarHBondContact OD1-CA 3.48Å; D89-L91 WeakPolarHBondContact OD1-CB 3.45Å; D89-L91 PolarHBondContact OD1-N 2.92Å; D89-T92 WeakPolarHBondContact CB-OG1 3.31Å; D89-T92 PolarHBondContact OD1-N 2.76Å; D89-G93 WeakPolarHBondContact O-CA 3.38Å; D89-G93 PolarHBondContact O-N 3.25Å; D89-D94 PolarHBondContact N-O 3.24Å | ||
| 90 | Q | 87.2 | Confident | 84.1 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -23.4 | -174.5 | -157.8 | 65.8 | 56.6 | 0 | 0 | 113.2 | V83 Y84 V88 | V83-Q90 PolarHBondContact O-NE2 3.45Å; V83-Q90 PolarHBondContact O-OE1 3.06Å; Y84-Q90 HydrophobicContact CD1-CG 4.46Å; Y84-Q90 VanDerWaalsContact CD1-OE1 3.26Å; Y84-Q90 HydrophobicContact CE1-CG 4.34Å; V88-Q90 PolarHBondContact O-N 3.1Å |
| 91 | L | 88.6 | Confident | 82.7 | Confident | 165 Ų | 165 | 69.5 Ų | 69.5 | 86% | 0.864 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -46.6 | -179.1 | -61.8 | 177.7 | 0 | 0 | 0 | 110.9 | D89 | D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 3Å; D89-L91 WeakPolarHBondContact OD1-CA 3.48Å; D89-L91 WeakPolarHBondContact OD1-CB 3.45Å; D89-L91 PolarHBondContact OD1-N 2.92Å |
| 92 | T | 88.9 | Confident | 81.2 | Confident | 59 Ų | 59 | 75.3 Ų | 75.3 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -30.4 | -178.6 | 74.4 | 0 | 0 | 0 | 0 | 112.5 | K78 D89 D94 | K78-T92 WeakPolarHBondContact CE-O 3.42Å; D89-T92 WeakPolarHBondContact CB-OG1 3.31Å; D89-T92 PolarHBondContact OD1-N 2.76Å; T92-D94 VanDerWaalsContact CB-OD2 3.24Å; T92-D94 WeakPolarHBondContact CB-OD2 3.14Å; T92-D94 VanDerWaalsContact OG1-CB 3.28Å; T92-D94 WeakPolarHBondContact OG1-CB 3.37Å; T92-D94 VanDerWaalsContact OG1-CG 3.3Å; T92-D94 PolarHBondContact OG1-N 3.16Å; T92-D94 VanDerWaalsContact OG1-N 3.07Å; T92-D94 PolarHBondContact OG1-OD2 3.24Å |
| 93 | G | 89.8 | Confident | 79.4 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | trans | 80 | 2.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K78 F79 D89 | K78-G93 CarbonylContact C-O 3.56Å; K78-G93 WeakPolarHBondContact CA-O 3.2Å; F79-G93 PolarHBondContact N-O 3.4Å; D89-G93 WeakPolarHBondContact O-CA 3.38Å; D89-G93 PolarHBondContact O-N 3.25Å | ||
| 94 | D | 90.7 | Very high | 77.7 | Confident | 51 Ų | 51 | 78.7 Ų | 78.7 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 138.7 | 178.2 | -71.3 | -53.8 | 0 | 0 | 0 | 110.8 | N76 V88 D89 T92 | N76-D94 PolarHBondContact ND2-OD1 3.1Å; N76-D94 PolarHBondContact OD1-OD1 3.45Å; V88-D94 WeakPolarHBondContact CA-O 3.24Å; D89-D94 PolarHBondContact N-O 3.24Å; T92-D94 VanDerWaalsContact CB-OD2 3.24Å; T92-D94 WeakPolarHBondContact CB-OD2 3.14Å; T92-D94 VanDerWaalsContact OG1-CB 3.28Å; T92-D94 WeakPolarHBondContact OG1-CB 3.37Å; T92-D94 VanDerWaalsContact OG1-CG 3.3Å; T92-D94 PolarHBondContact OG1-N 3.16Å; T92-D94 VanDerWaalsContact OG1-N 3.07Å; T92-D94 PolarHBondContact OG1-OD2 3.24Å |
| 95 | V | 88.4 | Confident | 75.9 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 11% | 0.109 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -93.3 | 134.3 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | L77 F79 A87 V88 A97 L100 | L77-V95 HydrophobicContact CD2-CB 4.29Å; L77-V95 HydrophobicContact CD2-CG2 3.45Å; L77-V95 VanDerWaalsContact CD2-CG2 3.45Å; L77-V95 WeakPolarHBondContact O-CG2 3.13Å; L77-V95 PolarHBondContact O-N 3.41Å; F79-V95 HydrophobicContact CD2-CG2 3.56Å; F79-V95 HydrophobicContact CE2-CG2 3.51Å; A87-V95 WeakPolarHBondContact O-CA 2.92Å; V88-V95 HydrophobicContact CG2-CG2 4.04Å; V95-A97 PolarHBondContact O-N 3.26Å; V95-L100 HydrophobicContact CB-CD1 4.05Å; V95-L100 HydrophobicContact CB-CG 4.38Å; V95-L100 HydrophobicContact CG1-CD1 4.08Å; V95-L100 HydrophobicContact CG1-CD2 3.95Å; V95-L100 HydrophobicContact CG1-CG 3.86Å |
| 96 | D | 81.8 | Confident | 74.2 | Confident | 85 Ų | 85 | 81.5 Ų | 81.5 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 124.8 | 176.7 | -175.6 | 11.4 | 0 | 0 | 0 | 111.1 | A87 D98 V99 L100 | A87-D96 PolarHBondContact O-N 2.75Å; D96-D98 PolarHBondContact O-N 3.23Å; D96-D98 PolarHBondContact OD1-N 3.29Å; D96-V99 HydrophobicContact CB-CG2 4.18Å; D96-V99 PolarHBondContact O-N 2.76Å; D96-V99 VanDerWaalsContact O-N 3.1Å; D96-L100 PolarHBondContact O-N 3.33Å |
| 97 | A | 70.7 | Confident | 72.1 | Confident | 57 Ų | 57 | 82.3 Ų | 82.3 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -29.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V95 V99 L100 K101 | V95-A97 PolarHBondContact O-N 3.26Å; A97-V99 VanDerWaalsContact C-N 3.3Å; A97-V99 PolarHBondContact O-N 2.8Å; A97-L100 PolarHBondContact O-N 2.91Å; A97-K101 PolarHBondContact O-N 3.3Å |
| 98 | D | 70.5 | Confident | 69.8 | Low | 104 Ų | 104 | 85 Ų | 85 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.2 | -29.3 | 178.3 | -76.9 | -21.1 | 0 | 0 | 0 | 112.6 | D96 K101 | D96-D98 PolarHBondContact O-N 3.23Å; D96-D98 PolarHBondContact OD1-N 3.29Å; D98-K101 WeakPolarHBondContact OD1-CE 3.39Å; D98-K101 IonicContact OD1-NZ 2.68Å; D98-K101 PolarHBondContact OD1-NZ 3.03Å |
| 99 | V | 68.5 | Low | 67.5 | Low | 65 Ų | 65 | 94.2 Ų | 94.2 | 39% | 0.394 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76.8 | -30.9 | 174.7 | -179 | 0 | 0 | 0 | 0 | 111.3 | A87 D96 A97 K101 F102 | A87-V99 HydrophobicContact CB-CB 4.19Å; A87-V99 HydrophobicContact CB-CG1 4.04Å; A87-V99 HydrophobicContact CB-CG2 3.8Å; D96-V99 HydrophobicContact CB-CG2 4.18Å; D96-V99 PolarHBondContact O-N 2.76Å; D96-V99 VanDerWaalsContact O-N 3.1Å; A97-V99 VanDerWaalsContact C-N 3.3Å; A97-V99 PolarHBondContact O-N 2.8Å; V99-K101 PolarHBondContact O-N 3.05Å; V99-F102 WeakPolarHBondContact O-CE2 3.4Å |
| 100 | L | 63.4 | Low | 65.2 | Low | 20 Ų | 20 | 104.8 Ų | 104.8 | 11% | 0.105 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -76.2 | -9.9 | 177.7 | -65.9 | 170.4 | 0 | 0 | 0 | 113.6 | F75 L77 V95 D96 A97 F102 | F75-L100 HydrophobicContact CD2-CD1 4.45Å; F75-L100 HydrophobicContact CE2-CB 4.28Å; F75-L100 HydrophobicContact CE2-CD1 3.71Å; F75-L100 HydrophobicContact CE2-CD2 4.38Å; F75-L100 HydrophobicContact CE2-CG 4.35Å; F75-L100 HydrophobicContact CZ-CB 4.04Å; F75-L100 HydrophobicContact CZ-CD1 4.31Å; L77-L100 HydrophobicContact CB-CD1 3.89Å; L77-L100 HydrophobicContact CD1-CD2 4.3Å; V95-L100 HydrophobicContact CB-CD1 4.05Å; V95-L100 HydrophobicContact CB-CG 4.38Å; V95-L100 HydrophobicContact CG1-CD1 4.08Å; V95-L100 HydrophobicContact CG1-CD2 3.95Å; V95-L100 HydrophobicContact CG1-CG 3.86Å; D96-L100 PolarHBondContact O-N 3.33Å; A97-L100 PolarHBondContact O-N 2.91Å; L100-F102 HydrophobicContact CD2-CE2 4.48Å; L100-F102 PolarHBondContact O-N 2.73Å |
| 101 | K | 60.7 | Low | 64.1 | Low | 135 Ų | 135 | 105.8 Ų | 105.8 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | trans | -70.7 | 63.6 | 168.3 | -67.1 | 172.7 | -174.4 | 167.5 | 0 | 109.9 | A97 D98 V99 S103 | A97-K101 PolarHBondContact O-N 3.3Å; D98-K101 WeakPolarHBondContact OD1-CE 3.39Å; D98-K101 IonicContact OD1-NZ 2.68Å; D98-K101 PolarHBondContact OD1-NZ 3.03Å; V99-K101 PolarHBondContact O-N 3.05Å; K101-S103 PolarHBondContact O-N 2.98Å | ||
| 102 | F | 57.3 | Low | 62.8 | Low | 156 Ų | 156 | 102.6 Ų | 102.6 | 68% | 0.684 | 53% | 0.534 | S | S | * | . | trans | -69.2 | 90.4 | 166.9 | -68.5 | -73.1 | 0 | 0 | 0 | 107.4 | V99 L100 | V99-F102 WeakPolarHBondContact O-CE2 3.4Å; L100-F102 HydrophobicContact CD2-CE2 4.48Å; L100-F102 PolarHBondContact O-N 2.73Å | ||
| 103 | S | 48.1 | Very low | 61.4 | Low | 69 Ų | 69 | 105.1 Ų | 105.1 | 48% | 0.483 | 54% | 0.544 | S | S | . | . | trans | -5.7 | 125.9 | 162.9 | -176.6 | 0 | 0 | 0 | 0 | 114.9 | K101 H105 | K101-S103 PolarHBondContact O-N 2.98Å; S103-H105 PolarHBondContact O-N 3.46Å; S103-H105 PolarHBondContact OG-CD2 3.3Å; S103-H105 VanDerWaalsContact OG-CD2 3.23Å | ||
| 104 | S | 52.3 | Low | 59.7 | Low | 102 Ų | 102 | 110.6 Ų | 110.6 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -52.7 | 11.7 | 173.1 | 47.1 | 0 | 0 | 0 | 0 | 116.5 | I106 N107 | S104-I106 PolarHBondContact O-N 3.34Å; S104-N107 PolarHBondContact O-N 2.88Å |
| 105 | H | 49.7 | Very low | 57.8 | Low | 148 Ų | 148 | 114.4 Ų | 114.4 | 69% | 0.685 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -73 | -2.2 | 174.3 | -81.1 | -61.5 | 0 | 0 | 0 | 114.7 | S103 N107 A108 | S103-H105 PolarHBondContact O-N 3.46Å; S103-H105 PolarHBondContact OG-CD2 3.3Å; S103-H105 VanDerWaalsContact OG-CD2 3.23Å; H105-N107 PolarHBondContact O-N 3.02Å; H105-A108 VanDerWaalsContact O-CB 3.31Å; H105-A108 WeakPolarHBondContact O-CB 3.3Å; H105-A108 PolarHBondContact O-N 2.68Å; H105-A108 VanDerWaalsContact O-N 3.1Å |
| 106 | I | 48.5 | Very low | 55.7 | Low | 144 Ų | 144 | 120.8 Ų | 120.8 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -69 | -13.3 | 171.4 | -62.1 | -179.4 | 0 | 0 | 0 | 112.2 | S104 A108 | S104-I106 PolarHBondContact O-N 3.34Å; I106-A108 PolarHBondContact O-N 2.84Å; I106-A108 VanDerWaalsContact O-N 3.16Å |
| 107 | N | 41.7 | Very low | 53.9 | Low | 147 Ų | 147 | 123.4 Ų | 123.4 | 79% | 0.786 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -73 | 5.1 | 168.1 | -73.8 | -16.2 | 0 | 0 | 0 | 114.3 | S104 H105 F109 | S104-N107 PolarHBondContact O-N 2.88Å; H105-N107 PolarHBondContact O-N 3.02Å; N107-F109 VanDerWaalsContact C-N 3.28Å; N107-F109 PolarHBondContact O-N 3.04Å |
| 108 | A | 38.2 | Very low | 52.6 | Low | 73 Ų | 73 | 128.5 Ų | 128.5 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -82.9 | 8.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | H105 I106 | H105-A108 VanDerWaalsContact O-CB 3.31Å; H105-A108 WeakPolarHBondContact O-CB 3.3Å; H105-A108 PolarHBondContact O-N 2.68Å; H105-A108 VanDerWaalsContact O-N 3.1Å; I106-A108 PolarHBondContact O-N 2.84Å; I106-A108 VanDerWaalsContact O-N 3.16Å |
| 109 | F | 41.4 | Very low | 51.1 | Low | 206 Ų | 206 | 130.5 Ų | 130.5 | 90% | 0.904 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -121.9 | 41.8 | 175.4 | -77.1 | -76.4 | 0 | 0 | 0 | 113.5 | N107 | N107-F109 VanDerWaalsContact C-N 3.28Å; N107-F109 PolarHBondContact O-N 3.04Å |
| 110 | R | 43.1 | Very low | 49.5 | Very low | 301 Ų | 301 | 136.5 Ų | 136.5 | 100% | 1.136 | 68% | 0.675 | S | S | * | * | trans | -127 | 0 | 156.2 | -163.2 | 177.7 | -167.8 | -176.8 | 3.8 | 110.8 |
Retrieved 110 of 110 residues in 193 ms
(Link to these results)