| 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 | 49.4 | Very low | 55.6 | Low | 224 Ų | 224 | 106.6 Ų | 106.6 | 100% | 1.103 | 59% | 0.593 | S | S | * | * | 0 | 151.2 | 0 | -66.2 | 167.1 | 75.4 | 0 | 0 | 108 | L5 | M1-L5 HydrophobicContact CE-CD2 4.41Š| |||
| 2 | T | 52.7 | Low | 55.3 | Low | 90 Ų | 90 | 101.9 Ų | 101.9 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | trans | -87.2 | 146.9 | -164.8 | 43.6 | 0 | 0 | 0 | 0 | 113.7 | I4 L5 | T2-I4 PolarHBondContact O-N 3.11Å; T2-I4 VanDerWaalsContact O-N 3.14Å; T2-L5 PolarHBondContact O-N 2.84Å | ||
| 3 | P | 53.8 | Low | 54.9 | Low | 98 Ų | 98 | 104.8 Ų | 104.8 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.9 | -15.7 | 179.8 | 27.6 | -35.8 | 0 | 0 | 0 | 113.8 | L5 T6 V7 | P3-L5 PolarHBondContact O-N 3.49Å; P3-T6 PolarHBondContact O-N 2.92Å; P3-V7 PolarHBondContact O-N 3.02Å |
| 4 | I | 57.9 | Low | 54.5 | Low | 112 Ų | 112 | 103.4 Ų | 103.4 | 57% | 0.574 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -57.3 | -37.2 | 174.2 | -61.2 | 168.9 | 0 | 0 | 0 | 111.1 | T2 T6 V7 L8 | T2-I4 PolarHBondContact O-N 3.11Å; T2-I4 VanDerWaalsContact O-N 3.14Å; I4-T6 PolarHBondContact O-N 3.21Å; I4-V7 PolarHBondContact O-N 2.91Å; I4-L8 HydrophobicContact CG2-CD1 4.01Å; I4-L8 WeakPolarHBondContact O-CG 3.43Å; I4-L8 PolarHBondContact O-N 2.8Å |
| 5 | L | 56.5 | Low | 54.1 | Low | 90 Ų | 90 | 105.8 Ų | 105.8 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.3 | -40.4 | -179 | -162.3 | 72.8 | 0 | 0 | 0 | 111.5 | M1 T2 P3 L8 I9 | M1-L5 HydrophobicContact CE-CD2 4.41Å; T2-L5 PolarHBondContact O-N 2.84Å; P3-L5 PolarHBondContact O-N 3.49Å; L5-L8 PolarHBondContact O-N 3.12Å; L5-I9 HydrophobicContact CG-CD1 4.32Å; L5-I9 WeakPolarHBondContact O-CG1 3.49Å; L5-I9 PolarHBondContact O-N 3.33Å |
| 6 | T | 59.4 | Low | 53.2 | Low | 90 Ų | 90 | 102.2 Ų | 102.2 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -41.5 | 177.3 | -33.9 | 0 | 0 | 0 | 0 | 111.5 | P3 I4 I9 C10 | P3-T6 PolarHBondContact O-N 2.92Å; I4-T6 PolarHBondContact O-N 3.21Å; T6-I9 PolarHBondContact O-N 2.81Å; T6-C10 PolarHBondContact O-N 2.82Å; T6-C10 PolarHBondContact O-SG 2.75Å; T6-C10 VanDerWaalsContact O-SG 3.33Å |
| 7 | V | 60.1 | Low | 52.3 | Low | 87 Ų | 87 | 102.8 Ų | 102.8 | 53% | 0.527 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.9 | -40.5 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | P3 I4 C10 L11 | P3-V7 PolarHBondContact O-N 3.02Å; I4-V7 PolarHBondContact O-N 2.91Å; V7-C10 PolarHBondContact O-N 2.86Å; V7-L11 HydrophobicContact CG1-CD1 4.03Å; V7-L11 WeakPolarHBondContact O-CB 3.32Å; V7-L11 PolarHBondContact O-N 2.83Å |
| 8 | L | 56.7 | Low | 51.4 | Low | 108 Ų | 108 | 110.7 Ų | 110.7 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.9 | -37.9 | 175.3 | -74.2 | 168.9 | 0 | 0 | 0 | 112.7 | I4 L5 G12 | I4-L8 HydrophobicContact CG2-CD1 4.01Å; I4-L8 WeakPolarHBondContact O-CG 3.43Å; I4-L8 PolarHBondContact O-N 2.8Å; L5-L8 PolarHBondContact O-N 3.12Å; L8-G12 PolarHBondContact O-N 3.29Å |
| 9 | I | 57.9 | Low | 50.7 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.7 | -44 | 174.7 | -69.4 | 164.8 | 0 | 0 | 0 | 110.7 | L5 T6 G12 L13 | L5-I9 HydrophobicContact CG-CD1 4.32Å; L5-I9 WeakPolarHBondContact O-CG1 3.49Å; L5-I9 PolarHBondContact O-N 3.33Å; T6-I9 PolarHBondContact O-N 2.81Å; I9-G12 PolarHBondContact O-N 2.86Å; I9-L13 HydrophobicContact CG2-CD1 3.93Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 WeakPolarHBondContact O-CG 3.47Å; I9-L13 PolarHBondContact O-N 2.93Å |
| 10 | C | 54.4 | Low | 49.8 | Very low | 80 Ų | 80 | 112.8 Ų | 112.8 | 54% | 0.541 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63 | -43.4 | 175.8 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | T6 V7 L13 S14 | T6-C10 PolarHBondContact O-N 2.82Å; T6-C10 PolarHBondContact O-SG 2.75Å; T6-C10 VanDerWaalsContact O-SG 3.33Å; V7-C10 PolarHBondContact O-N 2.86Å; C10-L13 PolarHBondContact O-N 2.77Å; C10-S14 PolarHBondContact O-N 2.93Å; C10-S14 PolarHBondContact O-OG 2.94Å |
| 11 | L | 52.5 | Low | 49.1 | Very low | 96 Ų | 96 | 113.4 Ų | 113.4 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.1 | -43.9 | 175.9 | -86.4 | 162 | 0 | 0 | 0 | 111.8 | V7 L13 S14 L15 | V7-L11 HydrophobicContact CG1-CD1 4.03Å; V7-L11 WeakPolarHBondContact O-CB 3.32Å; V7-L11 PolarHBondContact O-N 2.83Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.41Å; L11-S14 WeakPolarHBondContact CA-OG 3.27Å; L11-S14 PolarHBondContact O-N 3.11Å; L11-S14 VanDerWaalsContact O-N 3.16Å; L11-S14 PolarHBondContact O-OG 3.14Å; L11-L15 PolarHBondContact O-N 3.03Å; L11-L15 VanDerWaalsContact O-N 3.13Å |
| 12 | G | 51.8 | Low | 48.6 | Very low | 50 Ų | 50 | 110.2 Ų | 110.2 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.1 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L8 I9 | L8-G12 PolarHBondContact O-N 3.29Å; I9-G12 PolarHBondContact O-N 2.86Å |
| 13 | L | 51.2 | Low | 48 | Very low | 140 Ų | 140 | 110.3 Ų | 110.3 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.3 | -22.3 | 175.6 | -68.4 | 171.3 | 0 | 0 | 0 | 113.5 | I9 C10 L11 | I9-L13 HydrophobicContact CG2-CD1 3.93Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 WeakPolarHBondContact O-CG 3.47Å; I9-L13 PolarHBondContact O-N 2.93Å; C10-L13 PolarHBondContact O-N 2.77Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.41Å |
| 14 | S | 48.7 | Very low | 47.9 | Very low | 84 Ų | 84 | 108.5 Ų | 108.5 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.5 | -15.4 | 171.9 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | C10 L11 G16 | C10-S14 PolarHBondContact O-N 2.93Å; C10-S14 PolarHBondContact O-OG 2.94Å; L11-S14 WeakPolarHBondContact CA-OG 3.27Å; L11-S14 PolarHBondContact O-N 3.11Å; L11-S14 VanDerWaalsContact O-N 3.16Å; L11-S14 PolarHBondContact O-OG 3.14Å; S14-G16 VanDerWaalsContact C-N 3.33Å |
| 15 | L | 48.7 | Very low | 48.4 | Very low | 140 Ų | 140 | 109.6 Ų | 109.6 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 46.1 | 170.1 | -77.4 | 167.6 | 0 | 0 | 0 | 111.4 | L11 | L11-L15 PolarHBondContact O-N 3.03Å; L11-L15 VanDerWaalsContact O-N 3.13Å |
| 16 | G | 39.7 | Very low | 49.3 | Very low | 48 Ų | 48 | 107.5 Ų | 107.5 | 50% | 0.495 | 62% | 0.62 | S | S | . | * | trans | -52.5 | 142.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S14 R18 | S14-G16 VanDerWaalsContact C-N 3.33Å; G16-R18 PolarHBondContact O-N 2.92Å | ||
| 17 | P | 37.6 | Very low | 50.5 | Low | 112 Ų | 112 | 106.9 Ų | 106.9 | 73% | 0.727 | 62% | 0.617 | S | S | * | * | trans | -56.8 | 124 | -178.2 | 24 | -33.2 | 0 | 0 | 0 | 108.4 | T19 | P17-T19 HydrophobicContact CB-CG2 4.45Å; P17-T19 HydrophobicContact CG-CG2 4.48Å; P17-T19 PolarHBondContact O-N 3.22Å | ||
| 18 | R | 37.1 | Very low | 52 | Low | 245 Ų | 245 | 106.7 Ų | 106.7 | 93% | 0.925 | 61% | 0.609 | S | S | * | * | trans | -70.3 | 71.5 | 163.5 | -165.6 | -179.7 | -164.2 | 163.8 | 4 | 106.8 | G16 H20 | G16-R18 PolarHBondContact O-N 2.92Å; R18-H20 PolarHBondContact O-N 2.74Å | ||
| 19 | T | 36.3 | Very low | 53.7 | Low | 102 Ų | 102 | 101.7 Ų | 101.7 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | trans | -49.2 | 117.3 | 163 | 47 | 0 | 0 | 0 | 0 | 105.2 | P17 V21 | P17-T19 HydrophobicContact CB-CG2 4.45Å; P17-T19 HydrophobicContact CG-CG2 4.48Å; P17-T19 PolarHBondContact O-N 3.22Å; T19-V21 VanDerWaalsContact C-N 3.31Å; T19-V21 PolarHBondContact O-N 2.68Å | ||
| 20 | H | 33.5 | Very low | 55.4 | Low | 162 Ų | 162 | 101.4 Ų | 101.4 | 75% | 0.75 | 59% | 0.586 | S | S | * | * | trans | -48.3 | 115.3 | 146.5 | -98.6 | -109.3 | 0 | 0 | 0 | 104.9 | R18 Q22 | R18-H20 PolarHBondContact O-N 2.74Å; H20-Q22 PolarHBondContact O-N 2.8Å | ||
| 21 | V | 35.5 | Very low | 57.4 | Low | 126 Ų | 126 | 98.5 Ų | 98.5 | 76% | 0.764 | 57% | 0.565 | S | S | * | * | trans | -62.1 | 91.6 | 152.1 | 175.9 | 0 | 0 | 0 | 0 | 102.7 | T19 A23 | T19-V21 VanDerWaalsContact C-N 3.31Å; T19-V21 PolarHBondContact O-N 2.68Å; V21-A23 PolarHBondContact O-N 2.91Å | ||
| 22 | Q | 39.6 | Very low | 59.5 | Low | 157 Ų | 157 | 97 Ų | 97 | 73% | 0.734 | 55% | 0.553 | S | S | * | * | trans | -50.1 | 108 | 174 | -172.9 | 78.9 | -8.6 | 0 | 0 | 104.2 | H20 G24 | H20-Q22 PolarHBondContact O-N 2.8Å; Q22-G24 VanDerWaalsContact O-CA 3.28Å; Q22-G24 WeakPolarHBondContact O-CA 3.33Å; Q22-G24 PolarHBondContact O-N 3.26Å | ||
| 23 | A | 39 | Very low | 61.6 | Low | 91 Ų | 91 | 94.9 Ų | 94.9 | 75% | 0.752 | 53% | 0.53 | S | S | * | . | trans | -54.9 | 108.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | V21 H25 | V21-A23 PolarHBondContact O-N 2.91Å; A23-H25 PolarHBondContact O-N 2.88Å | ||
| 24 | G | 51 | Low | 63.7 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 62% | 0.619 | 51% | 0.511 | S | S | * | . | trans | -61.1 | 107.3 | -152.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q22 L26 | Q22-G24 VanDerWaalsContact O-CA 3.28Å; Q22-G24 WeakPolarHBondContact O-CA 3.33Å; Q22-G24 PolarHBondContact O-N 3.26Å; G24-L26 PolarHBondContact O-N 3.35Å | ||
| 25 | H | 68.3 | Low | 65.8 | Low | 135 Ų | 135 | 92.7 Ų | 92.7 | 63% | 0.625 | 52% | 0.517 | S | S | * | . | trans | -61.8 | 103.3 | -171.3 | -171.4 | -54.3 | 0 | 0 | 0 | 108.1 | A23 P27 E109 | A23-H25 PolarHBondContact O-N 2.88Å; H25-P27 VanDerWaalsContact O-N 3.13Å; H25-E109 IonicContact CE1-OE2 3.82Å | ||
| 26 | L | 76.5 | Confident | 67.8 | Low | 47 Ų | 47 | 86.6 Ų | 86.6 | 25% | 0.246 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 121.9 | -172.4 | -69.1 | 173.9 | 0 | 0 | 0 | 108.1 | G24 K28 Y100 | G24-L26 PolarHBondContact O-N 3.35Å; L26-K28 PolarHBondContact O-N 2.97Å; L26-Y100 HydrophobicContact CB-CE2 4.3Å; L26-Y100 HydrophobicContact CD1-CE2 4.43Å; L26-Y100 HydrophobicContact CD2-CE2 4.34Å |
| 27 | P | 85.2 | Confident | 70.3 | Confident | 76 Ų | 76 | 85.8 Ų | 85.8 | 49% | 0.494 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 130.7 | -174.3 | 20.7 | -32.1 | 0 | 0 | 0 | 110.3 | H25 Y100 | H25-P27 VanDerWaalsContact O-N 3.13Å; P27-Y100 WeakPolarHBondContact CD-OH 3.33Å; P27-Y100 WeakPolarHBondContact CG-OH 3.5Å; P27-Y100 VanDerWaalsContact O-CE1 3.24Å; P27-Y100 WeakPolarHBondContact O-CE1 2.98Å; P27-Y100 PolarHBondContact O-OH 2.85Å |
| 28 | K | 90.4 | Very high | 72.9 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 36% | 0.361 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 126.3 | 177.7 | -176.8 | -173.3 | -179.3 | -165.8 | 0 | 110 | L26 E109 S110 D112 | L26-K28 PolarHBondContact O-N 2.97Å; K28-E109 HydrophobicContact CB-CB 4.29Å; K28-E109 HydrophobicContact CG-CB 4.22Å; K28-S110 VanDerWaalsContact CE-O 3.23Å; K28-S110 WeakPolarHBondContact CE-O 3.33Å; K28-D112 WeakPolarHBondContact CE-OD2 3.42Å; K28-D112 IonicContact NZ-OD1 3.78Å; K28-D112 PolarHBondContact NZ-OD1 2.95Å; K28-D112 IonicContact NZ-OD2 2.71Å; K28-D112 PolarHBondContact NZ-OD2 2.9Å |
| 29 | P | 92.7 | Very high | 75.6 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 3% | 0.026 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 152.4 | -177.6 | 28.5 | -32.2 | 0 | 0 | 0 | 112.5 | Q50 Y100 E109 S111 | P29-Q50 VanDerWaalsContact CA-O 3.23Å; P29-Q50 WeakPolarHBondContact CA-O 3.25Å; P29-Q50 VanDerWaalsContact CB-O 3.24Å; P29-Q50 WeakPolarHBondContact CB-O 3.41Å; P29-Y100 HydrophobicContact CB-CD1 3.85Å; P29-Y100 HydrophobicContact CB-CE1 4.03Å; P29-Y100 HydrophobicContact CG-CD1 3.88Å; P29-Y100 HydrophobicContact CG-CE1 4.19Å; P29-E109 VanDerWaalsContact CD-O 3.28Å; P29-E109 WeakPolarHBondContact CD-O 3.01Å; P29-S111 VanDerWaalsContact O-CA 3.29Å; P29-S111 WeakPolarHBondContact O-CA 3.31Å; P29-S111 WeakPolarHBondContact O-CB 3.43Å |
| 30 | T | 94.4 | Very high | 78.4 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 56% | 0.558 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 139.4 | 171.5 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | W32 C49 Q50 | T30-W32 HydrophobicContact CG2-CE3 4.03Å; T30-W32 HydrophobicContact CG2-CZ3 4.36Å; T30-C49 WeakPolarHBondContact O-CA 3.48Å; T30-Q50 PolarHBondContact N-O 2.83Å; T30-Q50 PolarHBondContact O-N 3.05Å |
| 31 | L | 96 | Very high | 81.4 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126 | 175.7 | 172.3 | 63.1 | 0 | 0 | 0 | 109.5 | L47 R48 C49 L60 Y96 C98 S111 L114 | L31-L47 HydrophobicContact CD1-CB 4.49Å; L31-R48 WeakPolarHBondContact CA-O 3.46Å; L31-R48 WeakPolarHBondContact CD1-O 3.45Å; L31-C49 HydrophobicContact CD1-CB 4.47Å; L31-L60 HydrophobicContact CD1-CD1 3.9Å; L31-L60 HydrophobicContact CD2-CD1 4.1Å; L31-Y96 WeakPolarHBondContact CD2-O 3.34Å; L31-C98 HydrophobicContact CB-CB 4.47Å; L31-C98 HydrophobicContact CD1-CB 4.36Å; L31-C98 HydrophobicContact CD2-CB 4.37Å; L31-S111 WeakPolarHBondContact CB-OG 3.21Å; L31-L114 HydrophobicContact CD1-CD2 4.29Å; L31-L114 HydrophobicContact CD2-CB 3.76Å; L31-L114 HydrophobicContact CG-CB 3.84Å; L31-L114 HydrophobicContact CG-CD2 4.01Å |
| 32 | W | 95.7 | Very high | 84.3 | Confident | 65 Ų | 65 | 63 Ų | 63 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 179.5 | 175.6 | 69.9 | 102.5 | 0 | 0 | 0 | 111 | T30 E34 L47 R48 Q50 L114 | T30-W32 HydrophobicContact CG2-CE3 4.03Å; T30-W32 HydrophobicContact CG2-CZ3 4.36Å; W32-E34 PolarHBondContact NE1-OE1 2.92Å; W32-L47 WeakPolarHBondContact O-CA 3.39Å; W32-R48 HydrophobicContact CD2-CB 3.85Å; W32-R48 VanDerWaalsContact CE2-CB 3.49Å; W32-R48 HydrophobicContact CE3-CB 4.25Å; W32-R48 HydrophobicContact CG-CB 4.43Å; W32-R48 HydrophobicContact CH2-CB 4.08Å; W32-R48 HydrophobicContact CZ2-CB 3.63Å; W32-R48 HydrophobicContact CZ2-CG 4.35Å; W32-R48 HydrophobicContact CZ3-CB 4.35Å; W32-R48 PolarHBondContact N-O 2.91Å; W32-R48 PolarHBondContact O-N 3.01Å; W32-Q50 HydrophobicContact CH2-CB 3.73Å; W32-Q50 HydrophobicContact CZ3-CB 3.68Å; W32-L114 VanDerWaalsContact C-CD2 3.49Å |
| 33 | A | 95.7 | Very high | 87 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G36 V45 T46 L47 L114 | A33-G36 WeakPolarHBondContact CB-O 3.41Å; A33-G36 WeakPolarHBondContact O-CA 3.48Å; A33-G36 PolarHBondContact O-N 2.84Å; A33-V45 HydrophobicContact CB-CG2 3.9Å; A33-T46 CarbonylContact C-O 3.5Å; A33-T46 WeakPolarHBondContact CA-O 3.31Å; A33-L47 HydrophobicContact CB-CG 4.36Å; A33-L114 HydrophobicContact CB-CD2 3.9Å |
| 34 | E | 95.3 | Very high | 89.8 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.7 | 178.5 | -67 | 166.6 | 179.7 | 0 | 0 | 107.9 | W32 V45 T46 R48 | W32-E34 PolarHBondContact NE1-OE1 2.92Å; E34-V45 CarbonylContact O-C 3.54Å; E34-V45 WeakPolarHBondContact O-CA 3.05Å; E34-V45 WeakPolarHBondContact O-CG2 3.26Å; E34-T46 PolarHBondContact N-O 3.01Å; E34-T46 PolarHBondContact O-N 2.89Å; E34-R48 VanDerWaalsContact CD-NE 3.3Å; E34-R48 WeakPolarHBondContact OE1-CD 3.43Å; E34-R48 IonicContact OE1-CZ 2.67Å; E34-R48 IonicContact OE1-NE 3.57Å; E34-R48 PolarHBondContact OE1-NE 2.82Å; E34-R48 IonicContact OE1-NH1 3.84Å; E34-R48 PolarHBondContact OE1-NH1 2.94Å; E34-R48 WeakPolarHBondContact OE2-CD 3.26Å; E34-R48 IonicContact OE2-CZ 3.78Å; E34-R48 IonicContact OE2-NE 2.71Å; E34-R48 PolarHBondContact OE2-NE 2.83Å; E34-R48 IonicContact OE2-NH1 2.67Å; E34-R48 PolarHBondContact OE2-NH1 2.77Å; E34-R48 IonicContact OE2-NH2 2.66Å |
| 35 | P | 92.6 | Very high | 92 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 72% | 0.721 | 31% | 0.312 | S | S | * | . | S | Bend | cis | -80.5 | -9.9 | 6.1 | 33.9 | -37.1 | 0 | 0 | 0 | 115.1 | I39 | P35-I39 HydrophobicContact CG-CD1 3.94Š|
| 36 | G | 91.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | trans | 179.9 | -173.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A33 I39 | A33-G36 WeakPolarHBondContact CB-O 3.41Å; A33-G36 WeakPolarHBondContact O-CA 3.48Å; A33-G36 PolarHBondContact O-N 2.84Å; G36-I39 WeakPolarHBondContact O-CD1 3.26Å | ||
| 37 | S | 92.2 | Very high | 94.4 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -92.8 | -21.7 | -178 | 53.3 | 0 | 0 | 0 | 0 | 115 | V117 | S37-V117 PolarHBondContact O-N 2.94Š|
| 38 | V | 92.6 | Very high | 94.9 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.218 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 109.4 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 108 | V117 T119 W208 | V38-V117 HydrophobicContact CG1-CG1 4.1Å; V38-V117 HydrophobicContact CG2-CB 4.22Å; V38-V117 HydrophobicContact CG2-CG1 4.44Å; V38-T119 HydrophobicContact CG1-CG2 3.47Å; V38-T119 VanDerWaalsContact CG1-CG2 3.47Å; V38-W208 HydrophobicContact CG1-CE3 4.2Å; V38-W208 HydrophobicContact CG1-CZ3 3.86Å; V38-W208 HydrophobicContact CG2-CH2 4.02Å; V38-W208 HydrophobicContact CG2-CZ3 4.02Å |
| 39 | I | 94.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.9 | -167.8 | -55.7 | -68.4 | 0 | 0 | 0 | 110.6 | P35 G36 V45 I88 V117 V118 T119 | P35-I39 HydrophobicContact CG-CD1 3.94Å; G36-I39 WeakPolarHBondContact O-CD1 3.26Å; I39-V45 HydrophobicContact CD1-CB 4.29Å; I39-V45 HydrophobicContact CD1-CG2 4.13Å; I39-V45 HydrophobicContact CG1-CB 4.01Å; I39-V45 HydrophobicContact CG1-CG2 3.95Å; I39-I88 HydrophobicContact CB-CD1 4.18Å; I39-I88 HydrophobicContact CB-CG2 4.26Å; I39-I88 HydrophobicContact CG2-CG2 3.7Å; I39-V117 PolarHBondContact N-O 3.25Å; I39-V118 CarbonylContact O-C 3.54Å; I39-V118 VanDerWaalsContact O-CA 3.27Å; I39-V118 WeakPolarHBondContact O-CA 3.47Å; I39-T119 PolarHBondContact O-N 3.3Å |
| 40 | T | 94.9 | Very high | 95 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 46% | 0.46 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 139.6 | 174.1 | 36.8 | 0 | 0 | 0 | 0 | 112.2 | G42 S43 I88 T119 | T40-G42 PolarHBondContact O-N 3.19Å; T40-S43 VanDerWaalsContact O-CB 3.25Å; T40-S43 WeakPolarHBondContact O-CB 3.38Å; T40-S43 PolarHBondContact O-N 3.45Å; T40-S43 VanDerWaalsContact O-N 3.08Å; T40-S43 PolarHBondContact O-OG 2.93Å; T40-S43 PolarHBondContact OG1-OG 2.84Å; T40-I88 VanDerWaalsContact O-CG2 3.29Å; T40-I88 WeakPolarHBondContact O-CG2 3.37Å; T40-T119 WeakPolarHBondContact CA-OG1 3.47Å; T40-T119 WeakPolarHBondContact CG2-OG1 3.39Å |
| 41 | Q | 96 | Very high | 94.5 | Very high | 108 Ų | 108 | 46 Ų | 46 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 135.4 | 178.2 | -173.5 | 171.1 | -67.5 | 0 | 0 | 111.8 | S43 V118 T119 | Q41-S43 VanDerWaalsContact C-N 3.29Å; Q41-S43 PolarHBondContact O-N 3.49Å; Q41-V118 HydrophobicContact CB-CG2 3.75Å; Q41-V118 HydrophobicContact CG-CG2 4.32Å; Q41-T119 PolarHBondContact N-O 3.18Å |
| 42 | G | 95.6 | Very high | 93.5 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -18.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T40 S87 I88 | T40-G42 PolarHBondContact O-N 3.19Å; G42-S87 VanDerWaalsContact CA-OG 3.25Å; G42-S87 WeakPolarHBondContact CA-OG 3.15Å; G42-S87 WeakPolarHBondContact O-CA 3Å; G42-S87 WeakPolarHBondContact O-CB 3.34Å; G42-S87 PolarHBondContact O-OG 3.39Å; G42-I88 PolarHBondContact N-O 3.35Å |
| 43 | S | 97 | Very high | 92.2 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | trans | -75.4 | 154.4 | -179.7 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | T40 Q41 I88 | T40-S43 VanDerWaalsContact O-CB 3.25Å; T40-S43 WeakPolarHBondContact O-CB 3.38Å; T40-S43 PolarHBondContact O-N 3.45Å; T40-S43 VanDerWaalsContact O-N 3.08Å; T40-S43 PolarHBondContact O-OG 2.93Å; T40-S43 PolarHBondContact OG1-OG 2.84Å; Q41-S43 VanDerWaalsContact C-N 3.29Å; Q41-S43 PolarHBondContact O-N 3.49Å; S43-I88 WeakPolarHBondContact O-CG2 3.41Å; S43-I88 PolarHBondContact O-N 3.25Å | ||
| 44 | P | 97.7 | Very high | 90.4 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | trans | -78.1 | 149.5 | 176.6 | 31.9 | -35.3 | 0 | 0 | 0 | 112.3 | I85 | P44-I85 WeakPolarHBondContact CA-O 3.04Š| ||
| 45 | V | 97.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 146.3 | 170.3 | 62.5 | 0 | 0 | 0 | 0 | 110 | A33 E34 I39 L47 I85 I88 L116 | A33-V45 HydrophobicContact CB-CG2 3.9Å; E34-V45 CarbonylContact O-C 3.54Å; E34-V45 WeakPolarHBondContact O-CA 3.05Å; E34-V45 WeakPolarHBondContact O-CG2 3.26Å; I39-V45 HydrophobicContact CD1-CB 4.29Å; I39-V45 HydrophobicContact CD1-CG2 4.13Å; I39-V45 HydrophobicContact CG1-CB 4.01Å; I39-V45 HydrophobicContact CG1-CG2 3.95Å; V45-L47 HydrophobicContact CG1-CD1 4.44Å; V45-I85 HydrophobicContact CG1-CB 3.92Å; V45-I85 HydrophobicContact CG1-CD1 4.02Å; V45-I85 HydrophobicContact CG1-CG1 4.41Å; V45-I85 PolarHBondContact N-O 2.65Å; V45-I85 PolarHBondContact O-N 2.97Å; V45-I88 HydrophobicContact CG1-CB 4.48Å; V45-I88 HydrophobicContact CG1-CD1 4.16Å; V45-L116 HydrophobicContact CG1-CD1 4.38Å; V45-L116 HydrophobicContact CG2-CD1 4.26Å |
| 46 | T | 97.6 | Very high | 87.6 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.7 | 171.8 | -60 | 0 | 0 | 0 | 0 | 110.2 | A33 E34 R48 Q82 P84 | A33-T46 CarbonylContact C-O 3.5Å; A33-T46 WeakPolarHBondContact CA-O 3.31Å; E34-T46 PolarHBondContact N-O 3.01Å; E34-T46 PolarHBondContact O-N 2.89Å; T46-R48 HydrophobicContact CG2-CG 4.13Å; T46-Q82 HydrophobicContact CG2-CB 4.4Å; T46-P84 HydrophobicContact CG2-CB 4.35Å |
| 47 | L | 97.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131.5 | 169.6 | -70.4 | 74.6 | 0 | 0 | 0 | 107.7 | L31 W32 A33 V45 L60 F83 I85 Y96 L114 L116 | L31-L47 HydrophobicContact CD1-CB 4.49Å; W32-L47 WeakPolarHBondContact O-CA 3.39Å; A33-L47 HydrophobicContact CB-CG 4.36Å; V45-L47 HydrophobicContact CG1-CD1 4.44Å; L47-L60 HydrophobicContact CB-CD2 4.42Å; L47-L60 HydrophobicContact CD2-CD1 4.48Å; L47-L60 HydrophobicContact CD2-CD2 4.1Å; L47-F83 HydrophobicContact CB-CB 4.28Å; L47-F83 PolarHBondContact N-O 3.19Å; L47-F83 VanDerWaalsContact N-O 3.07Å; L47-F83 PolarHBondContact O-N 3.43Å; L47-I85 HydrophobicContact CD1-CD1 3.73Å; L47-I85 HydrophobicContact CD1-CG1 4.46Å; L47-Y96 HydrophobicContact CD2-CD1 4.19Å; L47-Y96 HydrophobicContact CD2-CD2 4.01Å; L47-Y96 HydrophobicContact CD2-CG 3.85Å; L47-L114 HydrophobicContact CD2-CD2 4.24Å; L47-L114 HydrophobicContact CG-CD2 4.28Å; L47-L116 HydrophobicContact CD1-CD1 4.26Å; L47-L116 HydrophobicContact CD1-CD2 3.98Å; L47-L116 HydrophobicContact CD2-CD2 4.49Å |
| 48 | R | 96 | Very high | 87.1 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 31% | 0.306 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.2 | -179 | -74.9 | -154.4 | -176.8 | -175 | -40.9 | 111.7 | L31 W32 E34 T46 G81 Q82 | L31-R48 WeakPolarHBondContact CA-O 3.46Å; L31-R48 WeakPolarHBondContact CD1-O 3.45Å; W32-R48 HydrophobicContact CD2-CB 3.85Å; W32-R48 VanDerWaalsContact CE2-CB 3.49Å; W32-R48 HydrophobicContact CE3-CB 4.25Å; W32-R48 HydrophobicContact CG-CB 4.43Å; W32-R48 HydrophobicContact CH2-CB 4.08Å; W32-R48 HydrophobicContact CZ2-CB 3.63Å; W32-R48 HydrophobicContact CZ2-CG 4.35Å; W32-R48 HydrophobicContact CZ3-CB 4.35Å; W32-R48 PolarHBondContact N-O 2.91Å; W32-R48 PolarHBondContact O-N 3.01Å; E34-R48 VanDerWaalsContact CD-NE 3.3Å; E34-R48 WeakPolarHBondContact OE1-CD 3.43Å; E34-R48 IonicContact OE1-CZ 2.67Å; E34-R48 IonicContact OE1-NE 3.57Å; E34-R48 PolarHBondContact OE1-NE 2.82Å; E34-R48 IonicContact OE1-NH1 3.84Å; E34-R48 PolarHBondContact OE1-NH1 2.94Å; E34-R48 WeakPolarHBondContact OE2-CD 3.26Å; E34-R48 IonicContact OE2-CZ 3.78Å; E34-R48 IonicContact OE2-NE 2.71Å; E34-R48 PolarHBondContact OE2-NE 2.83Å; E34-R48 IonicContact OE2-NH1 2.67Å; E34-R48 PolarHBondContact OE2-NH1 2.77Å; E34-R48 IonicContact OE2-NH2 2.66Å; T46-R48 HydrophobicContact CG2-CG 4.13Å; R48-G81 CarbonylContact C-O 3.56Å; R48-G81 WeakPolarHBondContact CA-O 3.16Å; R48-Q82 HydrophobicContact CG-CG 4.26Å |
| 49 | C | 93.8 | Very high | 87.1 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.7 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | T30 L31 Y58 G81 F83 C98 | T30-C49 WeakPolarHBondContact O-CA 3.48Å; L31-C49 HydrophobicContact CD1-CB 4.47Å; C49-Y58 HydrophobicContact CB-CD1 4.13Å; C49-Y58 WeakPolarHBondContact SG-CD1 3.39Å; C49-G81 PolarHBondContact N-O 2.01Å; C49-G81 WeakPolarHBondContact O-CA 3.21Å; C49-F83 HydrophobicContact CB-CE2 4.34Å; C49-C98 HydrophobicContact CB-CB 3.62Å; C49-C98 WeakPolarHBondContact CB-SG 3.21Å; C49-C98 WeakPolarHBondContact SG-CB 3.08Å; C49-C98 CovalentContact SG-SG 2.02Å; C49-C98 PolarHBondContact SG-SG 2.95Å |
| 50 | Q | 91.2 | Very high | 87.1 | Confident | 121 Ų | 121 | 62.8 Ų | 62.8 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.7 | 179.6 | -172.3 | 172.8 | 5.9 | 0 | 0 | 110.9 | P29 T30 W32 | P29-Q50 VanDerWaalsContact CA-O 3.23Å; P29-Q50 WeakPolarHBondContact CA-O 3.25Å; P29-Q50 VanDerWaalsContact CB-O 3.24Å; P29-Q50 WeakPolarHBondContact CB-O 3.41Å; T30-Q50 PolarHBondContact N-O 2.83Å; T30-Q50 PolarHBondContact O-N 3.05Å; W32-Q50 HydrophobicContact CH2-CB 3.73Å; W32-Q50 HydrophobicContact CZ3-CB 3.68Å |
| 51 | G | 84.8 | Confident | 87.1 | Confident | 15 Ų | 15 | 63 Ų | 63 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | trans | -102.5 | -164.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q53 Y58 | G51-Q53 PolarHBondContact O-N 2.83Å; G51-Y58 PolarHBondContact N-OH 3.5Å | ||
| 52 | G | 74 | Confident | 87.1 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 54% | 0.536 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -75.2 | -19.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 53 | Q | 67.9 | Low | 87 | Confident | 130 Ų | 130 | 59.5 Ų | 59.5 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | trans | -147.4 | 151.9 | -178.1 | -64.3 | -179.2 | -23.8 | 0 | 0 | 111.7 | G51 T55 Q56 Y58 | G51-Q53 PolarHBondContact O-N 2.83Å; Q53-T55 VanDerWaalsContact C-N 3.27Å; Q53-T55 PolarHBondContact O-N 3.42Å; Q53-Q56 HydrophobicContact CB-CG 4.25Å; Q53-Q56 WeakPolarHBondContact O-CG 3.4Å; Q53-Q56 PolarHBondContact O-OE1 3.29Å; Q53-Y58 PolarHBondContact O-OH 3.4Å | ||
| 54 | E | 58.9 | Low | 86.6 | Confident | 183 Ų | 183 | 67.4 Ų | 67.4 | 86% | 0.855 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.9 | -177 | -58.9 | -169.6 | 144.3 | 0 | 0 | 114.4 | Q56 | E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 2.79Å |
| 55 | T | 58.3 | Low | 86.2 | Confident | 127 Ų | 127 | 69.1 Ų | 69.1 | 78% | 0.779 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 19.8 | -174.4 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | Q53 | Q53-T55 VanDerWaalsContact C-N 3.27Å; Q53-T55 PolarHBondContact O-N 3.42Å |
| 56 | Q | 69.8 | Low | 85.8 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 15% | 0.145 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -104.2 | 136.6 | -167.6 | -63.9 | 176.3 | -23.4 | 0 | 0 | 111.6 | Q53 E54 Y58 Y100 | Q53-Q56 HydrophobicContact CB-CG 4.25Å; Q53-Q56 WeakPolarHBondContact O-CG 3.4Å; Q53-Q56 PolarHBondContact O-OE1 3.29Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 2.79Å; Q56-Y58 HydrophobicContact CB-CE2 4.31Å; Q56-Y58 WeakPolarHBondContact O-CD2 3.5Å; Q56-Y58 WeakPolarHBondContact O-CE2 3.43Å; Q56-Y58 PolarHBondContact O-N 2.88Å; Q56-Y58 VanDerWaalsContact O-N 3.11Å; Q56-Y100 HydrophobicContact CB-CD2 3.93Å; Q56-Y100 HydrophobicContact CB-CG 4.23Å; Q56-Y100 VanDerWaalsContact CD-CD2 3.48Å; Q56-Y100 VanDerWaalsContact CD-CE2 3.42Å; Q56-Y100 HydrophobicContact CG-CD2 4.03Å; Q56-Y100 HydrophobicContact CG-CE2 4.38Å; Q56-Y100 VanDerWaalsContact OE1-CD2 3.29Å; Q56-Y100 VanDerWaalsContact OE1-CE2 3.23Å |
| 57 | E | 83.6 | Confident | 85.6 | Confident | 88 Ų | 88 | 73.4 Ų | 73.4 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | trans | -70.6 | 103.4 | 171.4 | -81.9 | -175.2 | -124.8 | 0 | 0 | 110.2 | R59 Y100 G101 | E57-R59 IonicContact OE2-CZ 2.71Å; E57-R59 IonicContact OE2-NE 3.86Å; E57-R59 IonicContact OE2-NH2 3.61Å; E57-R59 PolarHBondContact OE2-NH2 2.85Å; E57-Y100 CarbonylContact O-C 3.39Å; E57-Y100 WeakPolarHBondContact O-CA 3.48Å; E57-G101 PolarHBondContact O-N 3.06Å | ||
| 58 | Y | 90.1 | Very high | 85.3 | Confident | 10 Ų | 10 | 76.9 Ų | 76.9 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 139.6 | 172.4 | -64.4 | -80.8 | 0 | 0 | 0 | 111.6 | C49 G51 Q53 Q56 V78 K79 Y100 | C49-Y58 HydrophobicContact CB-CD1 4.13Å; C49-Y58 WeakPolarHBondContact SG-CD1 3.39Å; G51-Y58 PolarHBondContact N-OH 3.5Å; Q53-Y58 PolarHBondContact O-OH 3.4Å; Q56-Y58 HydrophobicContact CB-CE2 4.31Å; Q56-Y58 WeakPolarHBondContact O-CD2 3.5Å; Q56-Y58 WeakPolarHBondContact O-CE2 3.43Å; Q56-Y58 PolarHBondContact O-N 2.88Å; Q56-Y58 VanDerWaalsContact O-N 3.11Å; Y58-V78 WeakPolarHBondContact CB-O 3.42Å; Y58-V78 WeakPolarHBondContact O-CG1 3.38Å; Y58-K79 WeakPolarHBondContact CD2-O 3.44Å; Y58-K79 WeakPolarHBondContact CE2-O 3.46Å; Y58-Y100 HydrophobicContact CE1-CD1 4.17Å; Y58-Y100 HydrophobicContact CE1-CG 4.3Å |
| 59 | R | 91.8 | Very high | 85.2 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 103 | 178 | -64.5 | -178.8 | -174 | 167.4 | 2.2 | 109.4 | E57 Y99 D103 | E57-R59 IonicContact OE2-CZ 2.71Å; E57-R59 IonicContact OE2-NE 3.86Å; E57-R59 IonicContact OE2-NH2 3.61Å; E57-R59 PolarHBondContact OE2-NH2 2.85Å; R59-Y99 HydrophobicContact CB-CD1 4.24Å; R59-Y99 HydrophobicContact CB-CD2 4.35Å; R59-Y99 HydrophobicContact CB-CE1 3.69Å; R59-Y99 HydrophobicContact CB-CE2 3.83Å; R59-Y99 VanDerWaalsContact CB-CZ 3.48Å; R59-Y99 VanDerWaalsContact CD-OH 3.3Å; R59-Y99 WeakPolarHBondContact CD-OH 3.19Å; R59-Y99 HydrophobicContact CG-CE2 4.26Å; R59-Y99 PolarHBondContact N-O 3.32Å; R59-Y99 WeakPolarHBondContact O-CD1 3.42Å; R59-Y99 PolarHBondContact O-N 3.13Å; R59-Y99 VanDerWaalsContact O-N 3.12Å; R59-D103 IonicContact NH1-OD1 3.64Å |
| 60 | L | 95.5 | Very high | 85.2 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.7 | 171.8 | -174 | 74.7 | 0 | 0 | 0 | 110.2 | L31 L47 W69 I70 F83 Y96 C98 | L31-L60 HydrophobicContact CD1-CD1 3.9Å; L31-L60 HydrophobicContact CD2-CD1 4.1Å; L47-L60 HydrophobicContact CB-CD2 4.42Å; L47-L60 HydrophobicContact CD2-CD1 4.48Å; L47-L60 HydrophobicContact CD2-CD2 4.1Å; L60-W69 HydrophobicContact CD2-CH2 3.89Å; L60-W69 HydrophobicContact CD2-CZ2 4.34Å; L60-I70 HydrophobicContact CB-CD1 4.39Å; L60-I70 HydrophobicContact CB-CG2 4.2Å; L60-I70 HydrophobicContact CD2-CD1 4.11Å; L60-I70 HydrophobicContact CD2-CG1 4.37Å; L60-I70 HydrophobicContact CG-CD1 4.13Å; L60-F83 HydrophobicContact CB-CD1 3.89Å; L60-F83 HydrophobicContact CB-CD2 4.02Å; L60-F83 HydrophobicContact CB-CE1 3.7Å; L60-F83 HydrophobicContact CB-CE2 3.85Å; L60-F83 HydrophobicContact CB-CG 4.06Å; L60-F83 HydrophobicContact CB-CZ 3.69Å; L60-F83 HydrophobicContact CD2-CB 3.74Å; L60-F83 HydrophobicContact CD2-CD1 3.99Å; L60-F83 HydrophobicContact CD2-CD2 3.98Å; L60-F83 HydrophobicContact CD2-CG 3.63Å; L60-F83 HydrophobicContact CG-CD2 4.44Å; L60-F83 HydrophobicContact CG-CG 4.41Å; L60-Y96 HydrophobicContact CD1-CD1 4.23Å; L60-Y96 HydrophobicContact CD2-CD1 4.04Å; L60-Y96 HydrophobicContact CD2-CE1 4.4Å; L60-Y96 HydrophobicContact CG-CD1 4.02Å; L60-C98 HydrophobicContact CD1-CB 4.23Å |
| 61 | Y | 95.1 | Very high | 85.2 | Confident | 79 Ų | 79 | 75 Ų | 75 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 155.6 | 171 | 70.8 | -81.5 | 0 | 0 | 0 | 112 | Y96 R97 Y99 S110 | Y61-Y96 WeakPolarHBondContact O-CA 3.4Å; Y61-R97 HydrophobicContact CD1-CB 4.32Å; Y61-R97 VanDerWaalsContact CD1-O 3.3Å; Y61-R97 WeakPolarHBondContact CD1-O 3.31Å; Y61-R97 HydrophobicContact CE1-CB 3.68Å; Y61-R97 HydrophobicContact CE2-CB 4.38Å; Y61-R97 PolarHBondContact N-O 2.78Å; Y61-R97 PolarHBondContact O-N 2.84Å; Y61-R97 VanDerWaalsContact O-O 3.14Å; Y61-Y99 AromaticContact CD1-CD1 3.98Å; Y61-Y99 HydrophobicContact CD1-CD1 3.98Å; Y61-Y99 HydrophobicContact CD1-CE1 4.01Å; Y61-Y99 AromaticContact CE1-CD1 3.87Å; Y61-Y99 HydrophobicContact CE1-CD1 3.87Å; Y61-Y99 HydrophobicContact CE1-CE1 4.22Å; Y61-S110 PolarHBondContact OH-OG 2.72Å |
| 62 | R | 96.1 | Very high | 85.6 | Confident | 28 Ų | 28 | 83.4 Ų | 83.4 | 11% | 0.106 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.9 | 172.4 | -178.2 | 167.7 | 61.8 | -169.8 | -8.2 | 110.1 | K65 T66 A67 E91 T93 R95 Y96 | R62-K65 WeakPolarHBondContact CB-O 3.45Å; R62-K65 WeakPolarHBondContact CG-O 3.43Å; R62-K65 PolarHBondContact NE-O 2.67Å; R62-T66 PolarHBondContact NH2-O 3.46Å; R62-A67 HydrophobicContact CB-CB 4.03Å; R62-E91 PolarHBondContact NH1-O 2.86Å; R62-E91 PolarHBondContact NH2-O 2.92Å; R62-T93 WeakPolarHBondContact CD-O 3.47Å; R62-T93 PolarHBondContact NH1-O 3.21Å; R62-R95 WeakPolarHBondContact CA-O 3.46Å; R62-Y96 HydrophobicContact CB-CD1 4.02Å; R62-Y96 HydrophobicContact CB-CE1 3.72Å; R62-Y96 HydrophobicContact CG-CE1 4.39Å |
| 63 | E | 93.7 | Very high | 86.5 | Confident | 45 Ų | 45 | 81.9 Ų | 81.9 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -68.5 | 149.7 | 172.7 | -63.8 | -173.6 | 171.4 | 0 | 0 | 111 | K65 R95 R97 | E63-K65 PolarHBondContact O-N 2.97Å; E63-R95 HydrophobicContact CB-CB 4.35Å; E63-R95 HydrophobicContact CG-CG 4.45Å; E63-R95 PolarHBondContact N-O 3.05Å; E63-R95 IonicContact OE1-NH1 3.29Å; E63-R95 PolarHBondContact OE1-NH1 2.84Å; E63-R95 WeakPolarHBondContact OE2-CD 3.43Å; E63-R95 IonicContact OE2-CZ 3.73Å; E63-R95 IonicContact OE2-NE 3.83Å; E63-R95 IonicContact OE2-NH1 2.8Å; E63-R95 PolarHBondContact OE2-NH1 2.94Å; E63-R97 IonicContact OE1-CZ 3.48Å; E63-R97 IonicContact OE1-NE 2.75Å; E63-R97 PolarHBondContact OE1-NE 3.44Å; E63-R97 IonicContact OE1-NH2 3.28Å; E63-R97 PolarHBondContact OE1-NH2 2.8Å |
| 64 | K | 88.6 | Confident | 87.8 | Confident | 204 Ų | 204 | 79.4 Ų | 79.4 | 89% | 0.887 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 65.2 | -56 | 178.8 | -49.9 | 174.7 | -174.8 | 173 | 0 | 116.1 | ||
| 65 | K | 88.3 | Confident | 89.3 | Confident | 122 Ų | 122 | 76.3 Ų | 76.3 | 53% | 0.53 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -116.9 | 124.9 | -175.5 | -173.6 | -179.6 | 179.5 | -177.5 | 0 | 110.3 | R62 E63 | R62-K65 WeakPolarHBondContact CB-O 3.45Å; R62-K65 WeakPolarHBondContact CG-O 3.43Å; R62-K65 PolarHBondContact NE-O 2.67Å; E63-K65 PolarHBondContact O-N 2.97Å |
| 66 | T | 89.2 | Confident | 90.8 | Very high | 118 Ų | 118 | 75.4 Ų | 75.4 | 72% | 0.724 | 36% | 0.364 | S | S | * | . | trans | -55.6 | 152.7 | 175.1 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | R62 | R62-T66 PolarHBondContact NH2-O 3.46Š| ||
| 67 | A | 92.8 | Very high | 91.9 | Very high | 11 Ų | 11 | 76.5 Ų | 76.5 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | trans | -123.8 | 87.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110 | R62 W69 I70 Y96 | R62-A67 HydrophobicContact CB-CB 4.03Å; A67-W69 PolarHBondContact O-N 2.81Å; A67-I70 HydrophobicContact CB-CD1 3.71Å; A67-I70 HydrophobicContact CB-CG1 3.91Å; A67-I70 PolarHBondContact O-N 2.03Å; A67-I70 VanDerWaalsContact O-N 3.13Å; A67-Y96 HydrophobicContact CB-CE1 4.43Å | ||
| 68 | P | 91.9 | Very high | 92.3 | Very high | 74 Ų | 74 | 73 Ų | 73 | 48% | 0.481 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -0.6 | -173.4 | -21.8 | 34.5 | 0 | 0 | 0 | 115.6 | T71 R72 | P68-T71 PolarHBondContact O-OG1 2.94Å; P68-R72 WeakPolarHBondContact O-CG 3.43Å; P68-R72 PolarHBondContact O-NE 2.9Å |
| 69 | W | 94.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 77.1 Ų | 77.1 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -32.4 | 172.4 | 69.6 | -102.2 | 0 | 0 | 0 | 111.8 | L60 A67 T71 R72 I73 F83 I85 H92 Y96 | L60-W69 HydrophobicContact CD2-CH2 3.89Å; L60-W69 HydrophobicContact CD2-CZ2 4.34Å; A67-W69 PolarHBondContact O-N 2.81Å; W69-T71 VanDerWaalsContact C-N 3.32Å; W69-T71 PolarHBondContact O-N 3.03Å; W69-R72 WeakPolarHBondContact O-CB 3.5Å; W69-R72 PolarHBondContact O-N 2.9Å; W69-I73 HydrophobicContact CE3-CD1 4.05Å; W69-I73 HydrophobicContact CE3-CG1 4.18Å; W69-I73 HydrophobicContact CZ3-CD1 4.07Å; W69-I73 HydrophobicContact CZ3-CG1 4.12Å; W69-F83 HydrophobicContact CH2-CB 4.14Å; W69-F83 HydrophobicContact CZ3-CB 4.14Å; W69-I85 HydrophobicContact CE3-CG1 4.22Å; W69-I85 HydrophobicContact CH2-CD1 3.75Å; W69-I85 HydrophobicContact CH2-CG1 3.78Å; W69-I85 HydrophobicContact CZ2-CD1 3.71Å; W69-I85 HydrophobicContact CZ2-CG1 4.15Å; W69-I85 HydrophobicContact CZ3-CD1 4.28Å; W69-I85 HydrophobicContact CZ3-CG1 3.81Å; W69-H92 AromaticContact CD1-CD2 3.57Å; W69-H92 AromaticContact CD2-CD2 3.96Å; W69-H92 AromaticContact CE2-CD2 3.97Å; W69-H92 AromaticContact CG-CD2 3.75Å; W69-H92 AromaticContact NE1-CD2 3.72Å; W69-Y96 AromaticContact CZ2-CE1 3.73Å; W69-Y96 HydrophobicContact CZ2-CE1 3.73Å; W69-Y96 AromaticContact CZ2-CZ 3.86Å; W69-Y96 PolarHBondContact NE1-OH 2.94Å; W69-Y96 VanDerWaalsContact NE1-OH 3.08Å |
| 70 | I | 94.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 80 Ų | 80 | 11% | 0.113 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -61.5 | -40.9 | -176.8 | -53.9 | 176.7 | 0 | 0 | 0 | 111 | L60 A67 R72 I73 F83 Y96 | L60-I70 HydrophobicContact CB-CD1 4.39Å; L60-I70 HydrophobicContact CB-CG2 4.2Å; L60-I70 HydrophobicContact CD2-CD1 4.11Å; L60-I70 HydrophobicContact CD2-CG1 4.37Å; L60-I70 HydrophobicContact CG-CD1 4.13Å; A67-I70 HydrophobicContact CB-CD1 3.71Å; A67-I70 HydrophobicContact CB-CG1 3.91Å; A67-I70 PolarHBondContact O-N 2.03Å; A67-I70 VanDerWaalsContact O-N 3.13Å; I70-R72 PolarHBondContact O-N 2.92Å; I70-R72 VanDerWaalsContact O-N 3.14Å; I70-I73 WeakPolarHBondContact O-CB 3.25Å; I70-I73 WeakPolarHBondContact O-CG1 3.48Å; I70-I73 PolarHBondContact O-N 2.79Å; I70-F83 HydrophobicContact CG2-CD1 4.11Å; I70-F83 HydrophobicContact CG2-CE1 4.24Å; I70-Y96 HydrophobicContact CD1-CE1 4.08Å |
| 71 | T | 90.9 | Very high | 92 | Very high | 122 Ų | 122 | 79.4 Ų | 79.4 | 75% | 0.748 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -70.2 | -6.7 | 179.9 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | P68 W69 | P68-T71 PolarHBondContact O-OG1 2.94Å; W69-T71 VanDerWaalsContact C-N 3.32Å; W69-T71 PolarHBondContact O-N 3.03Å |
| 72 | R | 92.3 | Very high | 92 | Very high | 191 Ų | 191 | 78 Ų | 78 | 72% | 0.721 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -95.9 | -8.4 | 176.1 | -49.8 | 176.3 | -162.3 | 174.2 | -0.5 | 112.6 | P68 W69 I70 | P68-R72 WeakPolarHBondContact O-CG 3.43Å; P68-R72 PolarHBondContact O-NE 2.9Å; W69-R72 WeakPolarHBondContact O-CB 3.5Å; W69-R72 PolarHBondContact O-N 2.9Å; I70-R72 PolarHBondContact O-N 2.92Å; I70-R72 VanDerWaalsContact O-N 3.14Å |
| 73 | I | 94.1 | Very high | 92 | Very high | 20 Ų | 20 | 76.8 Ų | 76.8 | 10% | 0.103 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -70.4 | 130.6 | 179.9 | -57.8 | -58.3 | 0 | 0 | 0 | 109.6 | W69 I70 Q75 L77 V78 P84 | W69-I73 HydrophobicContact CE3-CD1 4.05Å; W69-I73 HydrophobicContact CE3-CG1 4.18Å; W69-I73 HydrophobicContact CZ3-CD1 4.07Å; W69-I73 HydrophobicContact CZ3-CG1 4.12Å; I70-I73 WeakPolarHBondContact O-CB 3.25Å; I70-I73 WeakPolarHBondContact O-CG1 3.48Å; I70-I73 PolarHBondContact O-N 2.79Å; I73-Q75 PolarHBondContact O-N 2.86Å; I73-L77 HydrophobicContact CG2-CB 4.04Å; I73-L77 HydrophobicContact CG2-CD1 4.48Å; I73-V78 HydrophobicContact CB-CG2 4.12Å; I73-V78 HydrophobicContact CG2-CG2 3.85Å; I73-P84 WeakPolarHBondContact CD1-O 3.4Å |
| 74 | P | 94.2 | Very high | 92.2 | Very high | 79 Ų | 79 | 76.5 Ų | 76.5 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | trans | -55.3 | 135.3 | 176.3 | -28 | 35.1 | 0 | 0 | 0 | 113 | E76 L77 V78 | P74-E76 PolarHBondContact O-N 2.92Å; P74-E76 VanDerWaalsContact O-N 3.11Å; P74-L77 HydrophobicContact CG-CD1 4.5Å; P74-L77 WeakPolarHBondContact O-CB 3.22Å; P74-L77 PolarHBondContact O-N 2.86Å; P74-V78 PolarHBondContact O-N 3.01Å | ||
| 75 | Q | 90.3 | Very high | 92.6 | Very high | 117 Ų | 117 | 67 Ų | 67 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.3 | -28.5 | -175.8 | -65.9 | -61.1 | -38.6 | 0 | 0 | 113.4 | I73 L77 V78 K79 | I73-Q75 PolarHBondContact O-N 2.86Å; Q75-L77 PolarHBondContact O-N 2.89Å; Q75-V78 PolarHBondContact O-N 3.04Å; Q75-K79 VanDerWaalsContact O-CG 3.28Å; Q75-K79 WeakPolarHBondContact O-CG 3.18Å; Q75-K79 PolarHBondContact O-N 3.02Å |
| 76 | E | 90.7 | Very high | 93 | Very high | 109 Ų | 109 | 66.6 Ų | 66.6 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.1 | -13.4 | 175.7 | -52.2 | -43.6 | 125 | 0 | 0 | 114.3 | P74 K79 K80 | P74-E76 PolarHBondContact O-N 2.92Å; P74-E76 VanDerWaalsContact O-N 3.11Å; E76-K79 IonicContact OE1-NZ 2.69Å; E76-K79 PolarHBondContact OE1-NZ 2.89Å; E76-K79 IonicContact OE2-NZ 2.76Å; E76-K79 PolarHBondContact OE2-NZ 2.83Å; E76-K80 WeakPolarHBondContact O-CD 3.3Å; E76-K80 WeakPolarHBondContact O-CE 3.32Å; E76-K80 WeakPolarHBondContact O-CG 3.34Å |
| 77 | L | 92.1 | Very high | 93.4 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 28% | 0.277 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -92.9 | -39.7 | 167.7 | -60.8 | 179.4 | 0 | 0 | 0 | 110.9 | I73 P74 Q75 K79 K80 G81 Q82 P84 | I73-L77 HydrophobicContact CG2-CB 4.04Å; I73-L77 HydrophobicContact CG2-CD1 4.48Å; P74-L77 HydrophobicContact CG-CD1 4.5Å; P74-L77 WeakPolarHBondContact O-CB 3.22Å; P74-L77 PolarHBondContact O-N 2.86Å; Q75-L77 PolarHBondContact O-N 2.89Å; L77-K79 PolarHBondContact O-N 2.88Å; L77-K80 CarbonylContact O-C 3.55Å; L77-K80 WeakPolarHBondContact O-CA 3.49Å; L77-K80 WeakPolarHBondContact O-CB 3.34Å; L77-K80 PolarHBondContact O-N 2.89Å; L77-G81 PolarHBondContact O-N 2.82Å; L77-Q82 CarbonylContact C-O 3.2Å; L77-Q82 HydrophobicContact CB-CB 4.35Å; L77-Q82 WeakPolarHBondContact CB-O 3.31Å; L77-Q82 PolarHBondContact O-N 3.18Å; L77-P84 HydrophobicContact CD1-CG 3.87Å |
| 78 | V | 91.3 | Very high | 93.6 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | Y58 I73 P74 Q75 K80 G81 F83 | Y58-V78 WeakPolarHBondContact CB-O 3.42Å; Y58-V78 WeakPolarHBondContact O-CG1 3.38Å; I73-V78 HydrophobicContact CB-CG2 4.12Å; I73-V78 HydrophobicContact CG2-CG2 3.85Å; P74-V78 PolarHBondContact O-N 3.01Å; Q75-V78 PolarHBondContact O-N 3.04Å; V78-K80 PolarHBondContact O-N 2.89Å; V78-G81 PolarHBondContact O-N 2.98Å; V78-F83 HydrophobicContact CB-CE1 4.42Å; V78-F83 HydrophobicContact CG1-CE1 4.07Å; V78-F83 HydrophobicContact CG1-CZ 4.17Å; V78-F83 HydrophobicContact CG2-CE1 4.04Å |
| 79 | K | 88.6 | Confident | 93.8 | Very high | 96 Ų | 96 | 61.8 Ų | 61.8 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.3 | 173.1 | -69.3 | 169.3 | -165.7 | 169.4 | 0 | 113.3 | Y58 Q75 E76 L77 G81 | Y58-K79 WeakPolarHBondContact CD2-O 3.44Å; Y58-K79 WeakPolarHBondContact CE2-O 3.46Å; Q75-K79 VanDerWaalsContact O-CG 3.28Å; Q75-K79 WeakPolarHBondContact O-CG 3.18Å; Q75-K79 PolarHBondContact O-N 3.02Å; E76-K79 IonicContact OE1-NZ 2.69Å; E76-K79 PolarHBondContact OE1-NZ 2.89Å; E76-K79 IonicContact OE2-NZ 2.76Å; E76-K79 PolarHBondContact OE2-NZ 2.83Å; L77-K79 PolarHBondContact O-N 2.88Å; K79-G81 VanDerWaalsContact C-N 3.27Å |
| 80 | K | 90.6 | Very high | 93.7 | Very high | 137 Ų | 137 | 66.5 Ų | 66.5 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 9.7 | 177.2 | -61 | 178.7 | -175.4 | -179.2 | 0 | 112.9 | E76 L77 V78 Q82 | E76-K80 WeakPolarHBondContact O-CD 3.3Å; E76-K80 WeakPolarHBondContact O-CE 3.32Å; E76-K80 WeakPolarHBondContact O-CG 3.34Å; L77-K80 CarbonylContact O-C 3.55Å; L77-K80 WeakPolarHBondContact O-CA 3.49Å; L77-K80 WeakPolarHBondContact O-CB 3.34Å; L77-K80 PolarHBondContact O-N 2.89Å; V78-K80 PolarHBondContact O-N 2.89Å; K80-Q82 PolarHBondContact O-N 3.35Å |
| 81 | G | 91.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 17.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R48 C49 L77 V78 K79 F83 | R48-G81 CarbonylContact C-O 3.56Å; R48-G81 WeakPolarHBondContact CA-O 3.16Å; C49-G81 PolarHBondContact N-O 2.01Å; C49-G81 WeakPolarHBondContact O-CA 3.21Å; L77-G81 PolarHBondContact O-N 2.82Å; V78-G81 PolarHBondContact O-N 2.98Å; K79-G81 VanDerWaalsContact C-N 3.27Å; G81-F83 WeakPolarHBondContact O-CD2 3.41Å; G81-F83 WeakPolarHBondContact O-CE2 3.46Å |
| 82 | Q | 95.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 66.3 Ų | 66.3 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.8 | -171.1 | -74.3 | 167.1 | 50.6 | 0 | 0 | 112.1 | T46 R48 L77 K80 | T46-Q82 HydrophobicContact CG2-CB 4.4Å; R48-Q82 HydrophobicContact CG-CG 4.26Å; L77-Q82 CarbonylContact C-O 3.2Å; L77-Q82 HydrophobicContact CB-CB 4.35Å; L77-Q82 WeakPolarHBondContact CB-O 3.31Å; L77-Q82 PolarHBondContact O-N 3.18Å; K80-Q82 PolarHBondContact O-N 3.35Å |
| 83 | F | 96.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 79.8 | -178.3 | -54.7 | -88.9 | 0 | 0 | 0 | 109.4 | L47 C49 L60 W69 I70 V78 G81 | L47-F83 HydrophobicContact CB-CB 4.28Å; L47-F83 PolarHBondContact N-O 3.19Å; L47-F83 VanDerWaalsContact N-O 3.07Å; L47-F83 PolarHBondContact O-N 3.43Å; C49-F83 HydrophobicContact CB-CE2 4.34Å; L60-F83 HydrophobicContact CB-CD1 3.89Å; L60-F83 HydrophobicContact CB-CD2 4.02Å; L60-F83 HydrophobicContact CB-CE1 3.7Å; L60-F83 HydrophobicContact CB-CE2 3.85Å; L60-F83 HydrophobicContact CB-CG 4.06Å; L60-F83 HydrophobicContact CB-CZ 3.69Å; L60-F83 HydrophobicContact CD2-CB 3.74Å; L60-F83 HydrophobicContact CD2-CD1 3.99Å; L60-F83 HydrophobicContact CD2-CD2 3.98Å; L60-F83 HydrophobicContact CD2-CG 3.63Å; L60-F83 HydrophobicContact CG-CD2 4.44Å; L60-F83 HydrophobicContact CG-CG 4.41Å; W69-F83 HydrophobicContact CH2-CB 4.14Å; W69-F83 HydrophobicContact CZ3-CB 4.14Å; I70-F83 HydrophobicContact CG2-CD1 4.11Å; I70-F83 HydrophobicContact CG2-CE1 4.24Å; V78-F83 HydrophobicContact CB-CE1 4.42Å; V78-F83 HydrophobicContact CG1-CE1 4.07Å; V78-F83 HydrophobicContact CG1-CZ 4.17Å; V78-F83 HydrophobicContact CG2-CE1 4.04Å; G81-F83 WeakPolarHBondContact O-CD2 3.41Å; G81-F83 WeakPolarHBondContact O-CE2 3.46Å |
| 84 | P | 97.5 | Very high | 94 | Very high | 39 Ų | 39 | 57 Ų | 57 | 25% | 0.253 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141.6 | -177.8 | 31.1 | -35.7 | 0 | 0 | 0 | 112.7 | T46 I73 L77 | T46-P84 HydrophobicContact CG2-CB 4.35Å; I73-P84 WeakPolarHBondContact CD1-O 3.4Å; L77-P84 HydrophobicContact CD1-CG 3.87Å |
| 85 | I | 97.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 102.6 | 172.4 | -57.8 | 170.5 | 0 | 0 | 0 | 106 | P44 V45 L47 W69 S87 I88 H92 L116 | P44-I85 WeakPolarHBondContact CA-O 3.04Å; V45-I85 HydrophobicContact CG1-CB 3.92Å; V45-I85 HydrophobicContact CG1-CD1 4.02Å; V45-I85 HydrophobicContact CG1-CG1 4.41Å; V45-I85 PolarHBondContact N-O 2.65Å; V45-I85 PolarHBondContact O-N 2.97Å; L47-I85 HydrophobicContact CD1-CD1 3.73Å; L47-I85 HydrophobicContact CD1-CG1 4.46Å; W69-I85 HydrophobicContact CE3-CG1 4.22Å; W69-I85 HydrophobicContact CH2-CD1 3.75Å; W69-I85 HydrophobicContact CH2-CG1 3.78Å; W69-I85 HydrophobicContact CZ2-CD1 3.71Å; W69-I85 HydrophobicContact CZ2-CG1 4.15Å; W69-I85 HydrophobicContact CZ3-CD1 4.28Å; W69-I85 HydrophobicContact CZ3-CG1 3.81Å; I85-S87 PolarHBondContact O-N 2.99Å; I85-I88 HydrophobicContact CG2-CB 4.28Å; I85-I88 HydrophobicContact CG2-CG1 4.49Å; I85-H92 HydrophobicContact CD1-CB 4.14Å; I85-L116 HydrophobicContact CD1-CD2 3.9Å |
| 86 | P | 96.9 | Very high | 94.4 | Very high | 113 Ų | 113 | 51.2 Ų | 51.2 | 73% | 0.734 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -65.4 | -24.7 | -174.7 | -25.1 | 35.5 | 0 | 0 | 0 | 114.4 | ||
| 87 | S | 96.9 | Very high | 94.7 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 42% | 0.42 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -152.5 | 108 | 178.9 | -168.3 | 0 | 0 | 0 | 0 | 109 | G42 I85 | G42-S87 VanDerWaalsContact CA-OG 3.25Å; G42-S87 WeakPolarHBondContact CA-OG 3.15Å; G42-S87 WeakPolarHBondContact O-CA 3Å; G42-S87 WeakPolarHBondContact O-CB 3.34Å; G42-S87 PolarHBondContact O-OG 3.39Å; I85-S87 PolarHBondContact O-N 2.99Å |
| 88 | I | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -74.3 | 143.1 | -175.3 | -160.9 | 178.4 | 0 | 0 | 0 | 111.7 | I39 T40 G42 S43 V45 I85 H92 L116 V118 | I39-I88 HydrophobicContact CB-CD1 4.18Å; I39-I88 HydrophobicContact CB-CG2 4.26Å; I39-I88 HydrophobicContact CG2-CG2 3.7Å; T40-I88 VanDerWaalsContact O-CG2 3.29Å; T40-I88 WeakPolarHBondContact O-CG2 3.37Å; G42-I88 PolarHBondContact N-O 3.35Å; S43-I88 WeakPolarHBondContact O-CG2 3.41Å; S43-I88 PolarHBondContact O-N 3.25Å; V45-I88 HydrophobicContact CG1-CB 4.48Å; V45-I88 HydrophobicContact CG1-CD1 4.16Å; I85-I88 HydrophobicContact CG2-CB 4.28Å; I85-I88 HydrophobicContact CG2-CG1 4.49Å; I88-H92 HydrophobicContact CG1-CB 3.93Å; I88-L116 HydrophobicContact CD1-CD1 4.32Å; I88-L116 HydrophobicContact CD1-CD2 3.99Å; I88-L116 HydrophobicContact CD1-CG 4.04Å; I88-V118 HydrophobicContact CD1-CB 4.49Å; I88-V118 HydrophobicContact CG2-CG2 3.89Å | ||
| 89 | T | 95.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 26% | 0.258 | 23% | 0.229 | S | C | . | . | trans | -137.7 | 168.3 | 173.9 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | E91 H92 | T89-E91 PolarHBondContact O-N 3.32Å; T89-E91 VanDerWaalsContact O-N 3.12Å; T89-H92 PolarHBondContact N-ND1 3Å; T89-H92 WeakPolarHBondContact O-CB 3.35Å; T89-H92 PolarHBondContact O-N 3.4Å; T89-H92 PolarHBondContact OG1-CE1 2.92Å; T89-H92 PolarHBondContact OG1-ND1 2.94Å | ||
| 90 | W | 91.9 | Very high | 94.8 | Very high | 123 Ų | 123 | 42.5 Ų | 42.5 | 47% | 0.466 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -48.1 | -37.1 | 173 | 63.8 | -89.7 | 0 | 0 | 0 | 113.7 | H92 T93 E207 | W90-H92 PolarHBondContact O-N 3.31Å; W90-H92 VanDerWaalsContact O-N 3.12Å; W90-T93 WeakPolarHBondContact O-CB 3.28Å; W90-T93 WeakPolarHBondContact O-CG2 3.37Å; W90-T93 PolarHBondContact O-N 2.9Å; W90-T93 VanDerWaalsContact O-N 3.09Å; W90-T93 PolarHBondContact O-OG1 2.71Å; W90-E207 VanDerWaalsContact CB-CD 3.48Å; W90-E207 HydrophobicContact CB-CG 3.89Å; W90-E207 VanDerWaalsContact CB-OE2 3.28Å; W90-E207 WeakPolarHBondContact CB-OE2 3.17Å |
| 91 | E | 92.9 | Very high | 94.4 | Very high | 111 Ų | 111 | 36.4 Ų | 36.4 | 52% | 0.519 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -59.4 | -25.1 | 177.4 | -67 | -155.3 | 127.2 | 0 | 0 | 114.2 | R62 T89 | R62-E91 PolarHBondContact NH1-O 2.86Å; R62-E91 PolarHBondContact NH2-O 2.92Å; T89-E91 PolarHBondContact O-N 3.32Å; T89-E91 VanDerWaalsContact O-N 3.12Å |
| 92 | H | 95.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -87.7 | -16.1 | -179.1 | -63.8 | 87.9 | 0 | 0 | 0 | 113.1 | W69 I85 I88 T89 W90 Y96 | W69-H92 AromaticContact CD1-CD2 3.57Å; W69-H92 AromaticContact CD2-CD2 3.96Å; W69-H92 AromaticContact CE2-CD2 3.97Å; W69-H92 AromaticContact CG-CD2 3.75Å; W69-H92 AromaticContact NE1-CD2 3.72Å; I85-H92 HydrophobicContact CD1-CB 4.14Å; I88-H92 HydrophobicContact CG1-CB 3.93Å; T89-H92 PolarHBondContact N-ND1 3Å; T89-H92 WeakPolarHBondContact O-CB 3.35Å; T89-H92 PolarHBondContact O-N 3.4Å; T89-H92 PolarHBondContact OG1-CE1 2.92Å; T89-H92 PolarHBondContact OG1-ND1 2.94Å; W90-H92 PolarHBondContact O-N 3.31Å; W90-H92 VanDerWaalsContact O-N 3.12Å; H92-Y96 VanDerWaalsContact O-CE2 3.27Å; H92-Y96 WeakPolarHBondContact O-CE2 3.37Å; H92-Y96 PolarHBondContact O-OH 3.01Å |
| 93 | T | 95 | Very high | 92 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | trans | -65.1 | 164.4 | -174 | 66 | 0 | 0 | 0 | 0 | 113.4 | R62 W90 L116 V118 Y206 E207 | R62-T93 WeakPolarHBondContact CD-O 3.47Å; R62-T93 PolarHBondContact NH1-O 3.21Å; W90-T93 WeakPolarHBondContact O-CB 3.28Å; W90-T93 WeakPolarHBondContact O-CG2 3.37Å; W90-T93 PolarHBondContact O-N 2.9Å; W90-T93 VanDerWaalsContact O-N 3.09Å; W90-T93 PolarHBondContact O-OG1 2.71Å; T93-L116 CarbonylContact C-O 3.59Å; T93-L116 WeakPolarHBondContact CA-O 3.43Å; T93-V118 HydrophobicContact CG2-CB 3.71Å; T93-V118 HydrophobicContact CG2-CG1 3.49Å; T93-V118 VanDerWaalsContact CG2-CG1 3.49Å; T93-Y206 VanDerWaalsContact CG2-O 3.32Å; T93-Y206 WeakPolarHBondContact CG2-O 3.4Å; T93-E207 HydrophobicContact CG2-CG 4.11Å | ||
| 94 | G | 94.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.2 | -172 | 169 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y96 L116 | G94-Y96 VanDerWaalsContact O-CD2 3.23Å; G94-Y96 WeakPolarHBondContact O-CD2 3.34Å; G94-L116 PolarHBondContact N-O 2.86Å; G94-L116 PolarHBondContact O-N 3.29Å |
| 95 | R | 96.1 | Very high | 89.2 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 28% | 0.275 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 111.9 | -172.7 | -164.4 | 162.6 | -163.1 | -109.3 | 11.5 | 110.4 | R62 E63 P113 E115 | R62-R95 WeakPolarHBondContact CA-O 3.46Å; E63-R95 HydrophobicContact CB-CB 4.35Å; E63-R95 HydrophobicContact CG-CG 4.45Å; E63-R95 PolarHBondContact N-O 3.05Å; E63-R95 IonicContact OE1-NH1 3.29Å; E63-R95 PolarHBondContact OE1-NH1 2.84Å; E63-R95 WeakPolarHBondContact OE2-CD 3.43Å; E63-R95 IonicContact OE2-CZ 3.73Å; E63-R95 IonicContact OE2-NE 3.83Å; E63-R95 IonicContact OE2-NH1 2.8Å; E63-R95 PolarHBondContact OE2-NH1 2.94Å; R95-P113 HydrophobicContact CG-CB 3.82Å; R95-E115 HydrophobicContact CB-CG 4.26Å; R95-E115 WeakPolarHBondContact CD-OE1 3.33Å; R95-E115 HydrophobicContact CG-CG 3.85Å; R95-E115 IonicContact CZ-OE1 2.67Å; R95-E115 IonicContact NE-OE1 3.83Å; R95-E115 PolarHBondContact NE-OE1 2.88Å |
| 96 | Y | 97 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 149.1 | -176.3 | -73.5 | -90 | 0 | 0 | 0 | 111.9 | L31 L47 L60 Y61 R62 A67 W69 I70 H92 G94 P113 L114 L116 | L31-Y96 WeakPolarHBondContact CD2-O 3.34Å; L47-Y96 HydrophobicContact CD2-CD1 4.19Å; L47-Y96 HydrophobicContact CD2-CD2 4.01Å; L47-Y96 HydrophobicContact CD2-CG 3.85Å; L60-Y96 HydrophobicContact CD1-CD1 4.23Å; L60-Y96 HydrophobicContact CD2-CD1 4.04Å; L60-Y96 HydrophobicContact CD2-CE1 4.4Å; L60-Y96 HydrophobicContact CG-CD1 4.02Å; Y61-Y96 WeakPolarHBondContact O-CA 3.4Å; R62-Y96 HydrophobicContact CB-CD1 4.02Å; R62-Y96 HydrophobicContact CB-CE1 3.72Å; R62-Y96 HydrophobicContact CG-CE1 4.39Å; A67-Y96 HydrophobicContact CB-CE1 4.43Å; W69-Y96 AromaticContact CZ2-CE1 3.73Å; W69-Y96 HydrophobicContact CZ2-CE1 3.73Å; W69-Y96 AromaticContact CZ2-CZ 3.86Å; W69-Y96 PolarHBondContact NE1-OH 2.94Å; W69-Y96 VanDerWaalsContact NE1-OH 3.08Å; I70-Y96 HydrophobicContact CD1-CE1 4.08Å; H92-Y96 VanDerWaalsContact O-CE2 3.27Å; H92-Y96 WeakPolarHBondContact O-CE2 3.37Å; H92-Y96 PolarHBondContact O-OH 3.01Å; G94-Y96 VanDerWaalsContact O-CD2 3.23Å; G94-Y96 WeakPolarHBondContact O-CD2 3.34Å; Y96-P113 CarbonylContact O-C 3.53Å; Y96-P113 WeakPolarHBondContact O-CA 2.95Å; Y96-L114 PolarHBondContact N-O 2.86Å; Y96-L114 PolarHBondContact O-N 2.91Å; Y96-L116 HydrophobicContact CD2-CB 3.91Å; Y96-L116 HydrophobicContact CE2-CB 3.94Å; Y96-L116 HydrophobicContact CE2-CD2 3.98Å |
| 97 | R | 96.6 | Very high | 87.7 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152.3 | 164.8 | -71.4 | -173.1 | -166.6 | -109.9 | 5.7 | 110.1 | Y61 E63 S111 P113 | Y61-R97 HydrophobicContact CD1-CB 4.32Å; Y61-R97 VanDerWaalsContact CD1-O 3.3Å; Y61-R97 WeakPolarHBondContact CD1-O 3.31Å; Y61-R97 HydrophobicContact CE1-CB 3.68Å; Y61-R97 HydrophobicContact CE2-CB 4.38Å; Y61-R97 PolarHBondContact N-O 2.78Å; Y61-R97 PolarHBondContact O-N 2.84Å; Y61-R97 VanDerWaalsContact O-O 3.14Å; E63-R97 IonicContact OE1-CZ 3.48Å; E63-R97 IonicContact OE1-NE 2.75Å; E63-R97 PolarHBondContact OE1-NE 3.44Å; E63-R97 IonicContact OE1-NH2 3.28Å; E63-R97 PolarHBondContact OE1-NH2 2.8Å; R97-S111 WeakPolarHBondContact CA-OG 3.46Å; R97-S111 WeakPolarHBondContact CD-O 3.5Å; R97-S111 PolarHBondContact NH1-O 2.82Å; R97-P113 HydrophobicContact CG-CB 4.23Å |
| 98 | C | 94.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.4 | 171.7 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | L31 C49 L60 S110 S111 | L31-C98 HydrophobicContact CB-CB 4.47Å; L31-C98 HydrophobicContact CD1-CB 4.36Å; L31-C98 HydrophobicContact CD2-CB 4.37Å; C49-C98 HydrophobicContact CB-CB 3.62Å; C49-C98 WeakPolarHBondContact CB-SG 3.21Å; C49-C98 WeakPolarHBondContact SG-CB 3.08Å; C49-C98 CovalentContact SG-SG 2.02Å; C49-C98 PolarHBondContact SG-SG 2.95Å; L60-C98 HydrophobicContact CD1-CB 4.23Å; C98-S110 CarbonylContact O-C 3.54Å; C98-S110 WeakPolarHBondContact O-CA 3.36Å; C98-S111 PolarHBondContact N-OG 2.93Å; C98-S111 WeakPolarHBondContact O-CB 3.48Å; C98-S111 PolarHBondContact O-N 3.38Å |
| 99 | Y | 92 | Very high | 86.9 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 168.4 | 160.1 | 64.4 | -84.4 | 0 | 0 | 0 | 108.2 | R59 Y61 R107 | R59-Y99 HydrophobicContact CB-CD1 4.24Å; R59-Y99 HydrophobicContact CB-CD2 4.35Å; R59-Y99 HydrophobicContact CB-CE1 3.69Å; R59-Y99 HydrophobicContact CB-CE2 3.83Å; R59-Y99 VanDerWaalsContact CB-CZ 3.48Å; R59-Y99 VanDerWaalsContact CD-OH 3.3Å; R59-Y99 WeakPolarHBondContact CD-OH 3.19Å; R59-Y99 HydrophobicContact CG-CE2 4.26Å; R59-Y99 PolarHBondContact N-O 3.32Å; R59-Y99 WeakPolarHBondContact O-CD1 3.42Å; R59-Y99 PolarHBondContact O-N 3.13Å; R59-Y99 VanDerWaalsContact O-N 3.12Å; Y61-Y99 AromaticContact CD1-CD1 3.98Å; Y61-Y99 HydrophobicContact CD1-CD1 3.98Å; Y61-Y99 HydrophobicContact CD1-CE1 4.01Å; Y61-Y99 AromaticContact CE1-CD1 3.87Å; Y61-Y99 HydrophobicContact CE1-CD1 3.87Å; Y61-Y99 HydrophobicContact CE1-CE1 4.22Å; Y99-R107 HydrophobicContact CD2-CG 3.46Å; Y99-R107 VanDerWaalsContact CD2-CG 3.46Å; Y99-R107 VanDerWaalsContact CE1-NH2 3.3Å; Y99-R107 HydrophobicContact CE2-CG 3.79Å; Y99-R107 VanDerWaalsContact CE2-NE 3.34Å; Y99-R107 HydrophobicContact CG-CG 4.33Å |
| 100 | Y | 88.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 165 | 168 | 68.3 | -95.3 | 0 | 0 | 0 | 111.3 | L26 P27 P29 Q56 E57 Y58 S108 | L26-Y100 HydrophobicContact CB-CE2 4.3Å; L26-Y100 HydrophobicContact CD1-CE2 4.43Å; L26-Y100 HydrophobicContact CD2-CE2 4.34Å; P27-Y100 WeakPolarHBondContact CD-OH 3.33Å; P27-Y100 WeakPolarHBondContact CG-OH 3.5Å; P27-Y100 VanDerWaalsContact O-CE1 3.24Å; P27-Y100 WeakPolarHBondContact O-CE1 2.98Å; P27-Y100 PolarHBondContact O-OH 2.85Å; P29-Y100 HydrophobicContact CB-CD1 3.85Å; P29-Y100 HydrophobicContact CB-CE1 4.03Å; P29-Y100 HydrophobicContact CG-CD1 3.88Å; P29-Y100 HydrophobicContact CG-CE1 4.19Å; Q56-Y100 HydrophobicContact CB-CD2 3.93Å; Q56-Y100 HydrophobicContact CB-CG 4.23Å; Q56-Y100 VanDerWaalsContact CD-CD2 3.48Å; Q56-Y100 VanDerWaalsContact CD-CE2 3.42Å; Q56-Y100 HydrophobicContact CG-CD2 4.03Å; Q56-Y100 HydrophobicContact CG-CE2 4.38Å; Q56-Y100 VanDerWaalsContact OE1-CD2 3.29Å; Q56-Y100 VanDerWaalsContact OE1-CE2 3.23Å; E57-Y100 CarbonylContact O-C 3.39Å; E57-Y100 WeakPolarHBondContact O-CA 3.48Å; Y58-Y100 HydrophobicContact CE1-CD1 4.17Å; Y58-Y100 HydrophobicContact CE1-CG 4.3Å; Y100-S108 PolarHBondContact N-OG 2.89Å; Y100-S108 WeakPolarHBondContact O-CB 3.26Å; Y100-S108 PolarHBondContact O-N 3.43Å; Y100-S108 PolarHBondContact O-OG 2.88Å |
| 101 | G | 81.1 | Confident | 87 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.9 | 163 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E57 G106 | E57-G101 PolarHBondContact O-N 3.06Å; G101-G106 VanDerWaalsContact CA-O 3.29Å; G101-G106 WeakPolarHBondContact CA-O 3.46Å |
| 102 | S | 71.4 | Confident | 87.1 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 153.8 | 178.1 | -169.9 | 0 | 0 | 0 | 0 | 109 | T104 A105 G106 | S102-T104 PolarHBondContact O-N 3.08Å; S102-A105 PolarHBondContact O-N 2.87Å; S102-G106 PolarHBondContact N-O 3.24Å; S102-G106 PolarHBondContact O-N 3.05Å |
| 103 | D | 66.9 | Low | 87.1 | Confident | 146 Ų | 146 | 49.4 Ų | 49.4 | 78% | 0.781 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.2 | -173.2 | -50.3 | -38.6 | 0 | 0 | 0 | 112.3 | R59 | R59-D103 IonicContact NH1-OD1 3.64Š|
| 104 | T | 67.5 | Low | 87.1 | Confident | 138 Ų | 138 | 50 Ų | 50 | 85% | 0.847 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -26.5 | 173.1 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | S102 | S102-T104 PolarHBondContact O-N 3.08Š|
| 105 | A | 67.9 | Low | 87 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -6.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S102 | S102-A105 PolarHBondContact O-N 2.87Š|
| 106 | G | 76.6 | Confident | 87 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.2 | 171.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G101 S102 | G101-G106 VanDerWaalsContact CA-O 3.29Å; G101-G106 WeakPolarHBondContact CA-O 3.46Å; S102-G106 PolarHBondContact N-O 3.24Å; S102-G106 PolarHBondContact O-N 3.05Å |
| 107 | R | 85.5 | Confident | 86.9 | Confident | 136 Ų | 136 | 50.4 Ų | 50.4 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.1 | -174.1 | -173.3 | -172.6 | 157.1 | 163.4 | -3.4 | 109.9 | Y99 | Y99-R107 HydrophobicContact CD2-CG 3.46Å; Y99-R107 VanDerWaalsContact CD2-CG 3.46Å; Y99-R107 VanDerWaalsContact CE1-NH2 3.3Å; Y99-R107 HydrophobicContact CE2-CG 3.79Å; Y99-R107 VanDerWaalsContact CE2-NE 3.34Å; Y99-R107 HydrophobicContact CG-CG 4.33Å |
| 108 | S | 88.3 | Confident | 86.9 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 161.6 | 171.6 | 78.6 | 0 | 0 | 0 | 0 | 111.5 | Y100 | Y100-S108 PolarHBondContact N-OG 2.89Å; Y100-S108 WeakPolarHBondContact O-CB 3.26Å; Y100-S108 PolarHBondContact O-N 3.43Å; Y100-S108 PolarHBondContact O-OG 2.88Å |
| 109 | E | 90.2 | Very high | 87 | Confident | 105 Ų | 105 | 48.1 Ų | 48.1 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 157.2 | 157.4 | -70.2 | -168.1 | 136.5 | 0 | 0 | 110.7 | H25 K28 P29 | H25-E109 IonicContact CE1-OE2 3.82Å; K28-E109 HydrophobicContact CB-CB 4.29Å; K28-E109 HydrophobicContact CG-CB 4.22Å; P29-E109 VanDerWaalsContact CD-O 3.28Å; P29-E109 WeakPolarHBondContact CD-O 3.01Å |
| 110 | S | 92.8 | Very high | 87.1 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 143.5 | 172.3 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | K28 Y61 C98 | K28-S110 VanDerWaalsContact CE-O 3.23Å; K28-S110 WeakPolarHBondContact CE-O 3.33Å; Y61-S110 PolarHBondContact OH-OG 2.72Å; C98-S110 CarbonylContact O-C 3.54Å; C98-S110 WeakPolarHBondContact O-CA 3.36Å |
| 111 | S | 95.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 165.4 | 175.1 | 72.7 | 0 | 0 | 0 | 0 | 112.2 | P29 L31 R97 C98 | P29-S111 VanDerWaalsContact O-CA 3.29Å; P29-S111 WeakPolarHBondContact O-CA 3.31Å; P29-S111 WeakPolarHBondContact O-CB 3.43Å; L31-S111 WeakPolarHBondContact CB-OG 3.21Å; R97-S111 WeakPolarHBondContact CA-OG 3.46Å; R97-S111 WeakPolarHBondContact CD-O 3.5Å; R97-S111 PolarHBondContact NH1-O 2.82Å; C98-S111 PolarHBondContact N-OG 2.93Å; C98-S111 WeakPolarHBondContact O-CB 3.48Å; C98-S111 PolarHBondContact O-N 3.38Å |
| 112 | D | 94.9 | Very high | 87.7 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 150.9 | 160 | -71.5 | -53.4 | 0 | 0 | 0 | 110.9 | K28 | K28-D112 WeakPolarHBondContact CE-OD2 3.42Å; K28-D112 IonicContact NZ-OD1 3.78Å; K28-D112 PolarHBondContact NZ-OD1 2.95Å; K28-D112 IonicContact NZ-OD2 2.71Å; K28-D112 PolarHBondContact NZ-OD2 2.9Å |
| 113 | P | 95.4 | Very high | 88.8 | Confident | 40 Ų | 40 | 55 Ų | 55 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 128.2 | -172.6 | 30.3 | -31.2 | 0 | 0 | 0 | 110.8 | R95 Y96 R97 | R95-P113 HydrophobicContact CG-CB 3.82Å; Y96-P113 CarbonylContact O-C 3.53Å; Y96-P113 WeakPolarHBondContact O-CA 2.95Å; R97-P113 HydrophobicContact CG-CB 4.23Å |
| 114 | L | 95.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.3 | 171.9 | -178.7 | 69.5 | 0 | 0 | 0 | 109.1 | L31 W32 A33 L47 Y96 | L31-L114 HydrophobicContact CD1-CD2 4.29Å; L31-L114 HydrophobicContact CD2-CB 3.76Å; L31-L114 HydrophobicContact CG-CB 3.84Å; L31-L114 HydrophobicContact CG-CD2 4.01Å; W32-L114 VanDerWaalsContact C-CD2 3.49Å; A33-L114 HydrophobicContact CB-CD2 3.9Å; L47-L114 HydrophobicContact CD2-CD2 4.24Å; L47-L114 HydrophobicContact CG-CD2 4.28Å; Y96-L114 PolarHBondContact N-O 2.86Å; Y96-L114 PolarHBondContact O-N 2.91Å |
| 115 | E | 94.5 | Very high | 91.5 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 103.6 | 176.4 | -65.2 | -169.6 | 167.5 | 0 | 0 | 109.4 | R95 Y206 | R95-E115 HydrophobicContact CB-CG 4.26Å; R95-E115 WeakPolarHBondContact CD-OE1 3.33Å; R95-E115 HydrophobicContact CG-CG 3.85Å; R95-E115 IonicContact CZ-OE1 2.67Å; R95-E115 IonicContact NE-OE1 3.83Å; R95-E115 PolarHBondContact NE-OE1 2.88Å; E115-Y206 HydrophobicContact CB-CD1 4.34Å; E115-Y206 HydrophobicContact CB-CE1 3.92Å; E115-Y206 HydrophobicContact CG-CE1 3.91Å; E115-Y206 PolarHBondContact OE1-OH 2.89Å |
| 116 | L | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.7 | 178.3 | -173.4 | 75.2 | 0 | 0 | 0 | 109.6 | V45 L47 I85 I88 T93 G94 Y96 | V45-L116 HydrophobicContact CG1-CD1 4.38Å; V45-L116 HydrophobicContact CG2-CD1 4.26Å; L47-L116 HydrophobicContact CD1-CD1 4.26Å; L47-L116 HydrophobicContact CD1-CD2 3.98Å; L47-L116 HydrophobicContact CD2-CD2 4.49Å; I85-L116 HydrophobicContact CD1-CD2 3.9Å; I88-L116 HydrophobicContact CD1-CD1 4.32Å; I88-L116 HydrophobicContact CD1-CD2 3.99Å; I88-L116 HydrophobicContact CD1-CG 4.04Å; T93-L116 CarbonylContact C-O 3.59Å; T93-L116 WeakPolarHBondContact CA-O 3.43Å; G94-L116 PolarHBondContact N-O 2.86Å; G94-L116 PolarHBondContact O-N 3.29Å; Y96-L116 HydrophobicContact CD2-CB 3.91Å; Y96-L116 HydrophobicContact CE2-CB 3.94Å; Y96-L116 HydrophobicContact CE2-CD2 3.98Å |
| 117 | V | 94.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.2 | -170.7 | 167.2 | 0 | 0 | 0 | 0 | 109.9 | S37 V38 I39 T119 Y206 W208 | S37-V117 PolarHBondContact O-N 2.94Å; V38-V117 HydrophobicContact CG1-CG1 4.1Å; V38-V117 HydrophobicContact CG2-CB 4.22Å; V38-V117 HydrophobicContact CG2-CG1 4.44Å; I39-V117 PolarHBondContact N-O 3.25Å; V117-T119 HydrophobicContact CG1-CG2 4.33Å; V117-Y206 WeakPolarHBondContact CA-O 3.3Å; V117-Y206 HydrophobicContact CG2-CD1 4.24Å; V117-W208 HydrophobicContact CB-CZ2 4.23Å; V117-W208 HydrophobicContact CG1-CD2 3.33Å; V117-W208 HydrophobicContact CG1-CE3 3.66Å; V117-W208 HydrophobicContact CG1-CG 3.78Å; V117-W208 HydrophobicContact CG1-CH2 3.98Å; V117-W208 HydrophobicContact CG1-CZ2 3.68Å; V117-W208 HydrophobicContact CG1-CZ3 3.98Å; V117-W208 HydrophobicContact CG2-CH2 4.16Å; V117-W208 HydrophobicContact CG2-CZ2 3.58Å |
| 118 | V | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.6 | 166.9 | 79.5 | 0 | 0 | 0 | 0 | 110.7 | I39 Q41 I88 T93 Y206 E207 W208 | I39-V118 CarbonylContact O-C 3.54Å; I39-V118 VanDerWaalsContact O-CA 3.27Å; I39-V118 WeakPolarHBondContact O-CA 3.47Å; Q41-V118 HydrophobicContact CB-CG2 3.75Å; Q41-V118 HydrophobicContact CG-CG2 4.32Å; I88-V118 HydrophobicContact CD1-CB 4.49Å; I88-V118 HydrophobicContact CG2-CG2 3.89Å; T93-V118 HydrophobicContact CG2-CB 3.71Å; T93-V118 HydrophobicContact CG2-CG1 3.49Å; T93-V118 VanDerWaalsContact CG2-CG1 3.49Å; V118-Y206 PolarHBondContact N-O 3.45Å; V118-E207 HydrophobicContact CG1-CB 4.34Å; V118-E207 HydrophobicContact CG1-CG 4.17Å; V118-W208 PolarHBondContact O-N 2.85Å |
| 119 | T | 95.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 153.5 | 173.6 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | V38 I39 T40 Q41 V117 Y198 W208 | V38-T119 HydrophobicContact CG1-CG2 3.47Å; V38-T119 VanDerWaalsContact CG1-CG2 3.47Å; I39-T119 PolarHBondContact O-N 3.3Å; T40-T119 WeakPolarHBondContact CA-OG1 3.47Å; T40-T119 WeakPolarHBondContact CG2-OG1 3.39Å; Q41-T119 PolarHBondContact N-O 3.18Å; V117-T119 HydrophobicContact CG1-CG2 4.33Å; T119-Y198 HydrophobicContact CG2-CD1 4.08Å; T119-Y198 HydrophobicContact CG2-CE1 3.7Å; T119-W208 HydrophobicContact CG2-CB 4.25Å; T119-W208 HydrophobicContact CG2-CE3 4.08Å |
| 120 | G | 94.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | trans | 102.3 | 8.8 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y122 W208 S209 | G120-Y122 VanDerWaalsContact C-N 3.35Å; G120-W208 PolarHBondContact N-O 3.36Å; G120-S209 PolarHBondContact N-O 3.04Å | ||
| 121 | A | 91.2 | Very high | 94.1 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -73.4 | -23.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W208 | A121-W208 WeakPolarHBondContact CB-O 3.36Å; A121-W208 PolarHBondContact N-O 2.9Å |
| 122 | Y | 92.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 42.5 Ų | 42.5 | 29% | 0.29 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -135.9 | 167.1 | -176.3 | -44.8 | -67.3 | 0 | 0 | 0 | 112.1 | G120 F151 S209 L210 | G120-Y122 VanDerWaalsContact C-N 3.35Å; Y122-F151 HydrophobicContact CD1-CE1 4.36Å; Y122-F151 AromaticContact CD2-CE1 3.72Å; Y122-F151 HydrophobicContact CD2-CE1 3.72Å; Y122-F151 HydrophobicContact CD2-CZ 4.17Å; Y122-F151 HydrophobicContact CE2-CE1 4.16Å; Y122-F151 AromaticContact CG-CE1 3.84Å; Y122-F151 HydrophobicContact CG-CE1 3.84Å; Y122-F151 AromaticContact CG-CZ 3.95Å; Y122-F151 HydrophobicContact CG-CZ 3.95Å; Y122-S209 CarbonylContact O-C 3.55Å; Y122-L210 PolarHBondContact O-N 2.91Å |
| 123 | I | 93.1 | Very high | 93.8 | Very high | 86 Ų | 86 | 37.8 Ų | 37.8 | 44% | 0.441 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -57.5 | 148.6 | 175.1 | 63.3 | 172.9 | 0 | 0 | 0 | 112.1 | V149 S209 | I123-V149 HydrophobicContact CD1-CG2 3.94Å; I123-S209 WeakPolarHBondContact O-CB 3.24Å |
| 124 | K | 95.8 | Very high | 93.7 | Very high | 96 Ų | 96 | 36.9 Ų | 36.9 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 137.6 | 179.7 | 57.7 | 163.9 | 173 | 167.2 | 0 | 112.2 | L210 P211 D213 | K124-L210 HydrophobicContact CB-CB 3.86Å; K124-P211 WeakPolarHBondContact CB-O 3.28Å; K124-D213 IonicContact NZ-OD1 2.65Å; K124-D213 PolarHBondContact NZ-OD1 2.88Å; K124-D213 IonicContact NZ-OD2 2.67Å; K124-D213 PolarHBondContact NZ-OD2 2.95Å |
| 125 | P | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 171.1 | 165.4 | 34.7 | -35.1 | 0 | 0 | 0 | 110.6 | D146 C197 S209 L210 S212 | P125-D146 CarbonylContact C-O 3.52Å; P125-D146 WeakPolarHBondContact CA-O 3.29Å; P125-D146 VanDerWaalsContact CB-O 3.29Å; P125-D146 WeakPolarHBondContact CB-O 3.45Å; P125-C197 WeakPolarHBondContact CG-O 3.36Å; P125-S209 WeakPolarHBondContact CD-OG 3.31Å; P125-L210 WeakPolarHBondContact CD-O 3.28Å; P125-S212 WeakPolarHBondContact O-CA 3.46Å; P125-S212 VanDerWaalsContact O-CB 3.31Å; P125-S212 WeakPolarHBondContact O-CB 3.38Å |
| 126 | T | 94.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.7 | 176.4 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | C145 D146 | T126-C145 CarbonylContact O-C 3.6Å; T126-C145 WeakPolarHBondContact O-CA 3.24Å; T126-D146 PolarHBondContact N-O 3.47Å; T126-D146 PolarHBondContact O-N 3.34Å |
| 127 | L | 94.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142.2 | 178.7 | -174.6 | 58.2 | 0 | 0 | 0 | 110.3 | L143 Q144 C145 L156 Y195 C197 L215 | L127-L143 HydrophobicContact CD1-CB 4.13Å; L127-Q144 WeakPolarHBondContact CA-O 3.13Å; L127-C145 HydrophobicContact CD1-CB 4.38Å; L127-L156 HydrophobicContact CD1-CD1 3.95Å; L127-L156 HydrophobicContact CD2-CD1 4.03Å; L127-Y195 WeakPolarHBondContact CD2-O 3.37Å; L127-C197 HydrophobicContact CD1-CB 4.06Å; L127-C197 HydrophobicContact CD2-CB 4.42Å; L127-L215 HydrophobicContact CD2-CB 3.85Å; L127-L215 HydrophobicContact CD2-CD2 4.23Å; L127-L215 HydrophobicContact CG-CB 4.16Å; L127-L215 HydrophobicContact CG-CD2 3.86Å |
| 128 | S | 93.8 | Very high | 93 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 149.8 | 173.1 | 56.5 | 0 | 0 | 0 | 0 | 113 | L143 Q144 | S128-L143 WeakPolarHBondContact O-CA 3.24Å; S128-Q144 PolarHBondContact N-O 3.14Å; S128-Q144 PolarHBondContact O-N 2.94Å |
| 129 | A | 93.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | S132 P133 V141 L143 L215 L217 | A129-S132 WeakPolarHBondContact CB-O 3.27Å; A129-S132 PolarHBondContact O-N 2.84Å; A129-P133 HydrophobicContact CB-CB 4.16Å; A129-V141 HydrophobicContact CB-CG2 4.02Å; A129-L143 HydrophobicContact CB-CD2 3.67Å; A129-L215 HydrophobicContact CB-CD2 4.07Å; A129-L217 HydrophobicContact CB-CD2 3.96Å |
| 130 | Q | 91.5 | Very high | 92.6 | Very high | 86 Ų | 86 | 49 Ų | 49 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.7 | -179.5 | -61.3 | -70.6 | 93.6 | 0 | 0 | 109.8 | T142 Q144 | Q130-T142 WeakPolarHBondContact CB-O 3.47Å; Q130-T142 PolarHBondContact N-O 3Å; Q130-T142 PolarHBondContact O-N 3.02Å; Q130-Q144 HydrophobicContact CG-CB 4.12Å |
| 131 | P | 88.9 | Confident | 92.5 | Very high | 123 Ų | 123 | 48 Ų | 48 | 80% | 0.799 | 29% | 0.285 | S | S | * | . | S | Bend | cis | -84.5 | -3 | -1.4 | 36.2 | -37.1 | 0 | 0 | 0 | 114.5 | ||
| 132 | S | 90.7 | Very high | 92.6 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | trans | -160.2 | 147.8 | -173.4 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | A129 V134 Y258 | A129-S132 WeakPolarHBondContact CB-O 3.27Å; A129-S132 PolarHBondContact O-N 2.84Å; S132-V134 PolarHBondContact O-N 2.86Å; S132-V134 PolarHBondContact OG-N 3.22Å; S132-Y258 PolarHBondContact OG-OH 3.44Å | ||
| 133 | P | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -71.6 | -14.2 | 167 | 33 | -38.3 | 0 | 0 | 0 | 113.1 | A129 L215 L217 L218 Y258 R263 F265 | A129-P133 HydrophobicContact CB-CB 4.16Å; P133-L215 HydrophobicContact CB-CD1 4.44Å; P133-L217 WeakPolarHBondContact O-CA 3.38Å; P133-L218 PolarHBondContact O-N 2.94Å; P133-Y258 HydrophobicContact CG-CD2 4.32Å; P133-Y258 HydrophobicContact CG-CE2 3.73Å; P133-R263 WeakPolarHBondContact CG-O 3.43Å; P133-F265 HydrophobicContact CB-CD1 4.44Å; P133-F265 HydrophobicContact CB-CE1 4.42Å; P133-F265 HydrophobicContact CG-CD1 4.29Å |
| 134 | V | 93.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.9 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | S132 L218 L220 Y258 Y298 | S132-V134 PolarHBondContact O-N 2.86Å; S132-V134 PolarHBondContact OG-N 3.22Å; V134-L218 HydrophobicContact CG1-CD2 3.97Å; V134-L218 HydrophobicContact CG2-CB 4.17Å; V134-L218 HydrophobicContact CG2-CD2 4.43Å; V134-L220 HydrophobicContact CG1-CD1 3.61Å; V134-L220 HydrophobicContact CG1-CD2 3.76Å; V134-L220 HydrophobicContact CG1-CG 3.66Å; V134-Y258 HydrophobicContact CG2-CD1 3.74Å; V134-Y258 HydrophobicContact CG2-CD2 4.46Å; V134-Y258 HydrophobicContact CG2-CE1 4Å; V134-Y258 HydrophobicContact CG2-CG 3.99Å; V134-Y298 HydrophobicContact CG1-CE1 4.16Å |
| 135 | V | 92.4 | Very high | 92.6 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.1 | -169.1 | -167.4 | 0 | 0 | 0 | 0 | 110.6 | V141 V187 L218 V219 L220 | V135-V141 HydrophobicContact CG1-CB 4.32Å; V135-V141 HydrophobicContact CG2-CB 3.76Å; V135-V141 HydrophobicContact CG2-CG1 4.01Å; V135-V141 HydrophobicContact CG2-CG2 3.99Å; V135-V187 HydrophobicContact CB-CG2 4.13Å; V135-V187 HydrophobicContact CG1-CG1 4.39Å; V135-V187 HydrophobicContact CG1-CG2 3.7Å; V135-L218 PolarHBondContact N-O 3.32Å; V135-V219 CarbonylContact O-C 3.58Å; V135-V219 WeakPolarHBondContact O-CA 3.41Å; V135-L220 PolarHBondContact O-N 3.28Å |
| 136 | N | 91.4 | Very high | 92.4 | Very high | 111 Ų | 111 | 38.8 Ų | 38.8 | 59% | 0.594 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.7 | 173.5 | -67.6 | -48.4 | 0 | 0 | 0 | 111.8 | G138 G139 V187 | N136-G138 PolarHBondContact O-N 2.75Å; N136-G139 WeakPolarHBondContact O-CA 3.43Å; N136-G139 PolarHBondContact O-N 3.4Å; N136-V187 VanDerWaalsContact O-CG2 3.3Å; N136-V187 WeakPolarHBondContact O-CG2 3.14Å |
| 137 | S | 91.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 43% | 0.434 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 134.2 | 169.1 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | G139 P189 L220 | S137-G139 PolarHBondContact O-N 2.66Å; S137-P189 VanDerWaalsContact OG-CD 3.28Å; S137-P189 WeakPolarHBondContact OG-CD 3.48Å; S137-L220 VanDerWaalsContact CB-O 3.28Å; S137-L220 WeakPolarHBondContact CB-O 3.42Å; S137-L220 PolarHBondContact N-O 3.4Å |
| 138 | G | 90.2 | Very high | 92 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 54% | 0.536 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N136 P186 V187 | N136-G138 PolarHBondContact O-N 2.75Å; G138-P186 WeakPolarHBondContact O-CB 3.29Å; G138-V187 PolarHBondContact N-O 3.28Å |
| 139 | G | 90.2 | Very high | 91.8 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | trans | -77.8 | 163.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N136 S137 P186 V187 | N136-G139 WeakPolarHBondContact O-CA 3.43Å; N136-G139 PolarHBondContact O-N 3.4Å; S137-G139 PolarHBondContact O-N 2.66Å; G139-P186 CarbonylContact O-C 3.53Å; G139-P186 WeakPolarHBondContact O-CA 3.43Å; G139-V187 PolarHBondContact O-N 3.33Å | ||
| 140 | N | 91.9 | Very high | 91.5 | Very high | 110 Ų | 110 | 51 Ų | 51 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | trans | -107.2 | 151.8 | 167.9 | -69 | -2.1 | 0 | 0 | 0 | 109.6 | V184 G185 P186 | N140-V184 CarbonylContact C-O 3.5Å; N140-V184 VanDerWaalsContact CA-O 3.3Å; N140-V184 WeakPolarHBondContact CA-O 3.43Å; N140-G185 VanDerWaalsContact OD1-C 3.29Å; N140-G185 WeakPolarHBondContact OD1-CA 3.34Å; N140-P186 VanDerWaalsContact OD1-CA 3.28Å; N140-P186 WeakPolarHBondContact OD1-CA 3.36Å | ||
| 141 | V | 92.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.4 | 171.8 | 67.1 | 0 | 0 | 0 | 0 | 110.4 | A129 V135 L143 V184 L217 | A129-V141 HydrophobicContact CB-CG2 4.02Å; V135-V141 HydrophobicContact CG1-CB 4.32Å; V135-V141 HydrophobicContact CG2-CB 3.76Å; V135-V141 HydrophobicContact CG2-CG1 4.01Å; V135-V141 HydrophobicContact CG2-CG2 3.99Å; V141-L143 HydrophobicContact CG1-CD2 3.93Å; V141-L143 HydrophobicContact CG2-CD2 4.39Å; V141-V184 HydrophobicContact CG1-CG2 3.55Å; V141-V184 PolarHBondContact N-O 3.21Å; V141-V184 PolarHBondContact O-N 3.11Å; V141-L217 HydrophobicContact CG1-CD1 3.56Å; V141-L217 HydrophobicContact CG1-CD2 4.17Å |
| 142 | T | 93.2 | Very high | 91.3 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.5 | 179.1 | -60.8 | 0 | 0 | 0 | 0 | 108.8 | Q130 I181 F182 | Q130-T142 WeakPolarHBondContact CB-O 3.47Å; Q130-T142 PolarHBondContact N-O 3Å; Q130-T142 PolarHBondContact O-N 3.02Å; T142-I181 HydrophobicContact CG2-CG2 3.41Å; T142-I181 VanDerWaalsContact CG2-CG2 3.41Å; T142-F182 CarbonylContact C-O 3.47Å; T142-F182 WeakPolarHBondContact CA-O 3.26Å |
| 143 | L | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.2 | 173.4 | -52.1 | -168.5 | 0 | 0 | 0 | 109.8 | L127 S128 A129 V141 L156 F182 V184 Y195 L215 L217 | L127-L143 HydrophobicContact CD1-CB 4.13Å; S128-L143 WeakPolarHBondContact O-CA 3.24Å; A129-L143 HydrophobicContact CB-CD2 3.67Å; V141-L143 HydrophobicContact CG1-CD2 3.93Å; V141-L143 HydrophobicContact CG2-CD2 4.39Å; L143-L156 HydrophobicContact CB-CD2 4.43Å; L143-L156 HydrophobicContact CD1-CD1 4.01Å; L143-L156 HydrophobicContact CD1-CD2 3.97Å; L143-F182 PolarHBondContact N-O 2.76Å; L143-F182 PolarHBondContact O-N 3.11Å; L143-V184 HydrophobicContact CD1-CG1 4.37Å; L143-V184 HydrophobicContact CD1-CG2 4.01Å; L143-V184 HydrophobicContact CD2-CG2 4.43Å; L143-V184 HydrophobicContact CG-CG2 3.88Å; L143-Y195 HydrophobicContact CD1-CD1 4.15Å; L143-Y195 HydrophobicContact CD1-CD2 3.62Å; L143-Y195 HydrophobicContact CD1-CE2 4.06Å; L143-Y195 HydrophobicContact CD1-CG 3.66Å; L143-L215 HydrophobicContact CD2-CD2 4.06Å; L143-L217 HydrophobicContact CD2-CD2 4.05Å |
| 144 | Q | 93 | Very high | 91.3 | Very high | 27 Ų | 27 | 42 Ų | 42 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.3 | 179.2 | -168.8 | 178.5 | -81.9 | 0 | 0 | 108.6 | L127 S128 Q130 D146 R179 A180 I181 | L127-Q144 WeakPolarHBondContact CA-O 3.13Å; S128-Q144 PolarHBondContact N-O 3.14Å; S128-Q144 PolarHBondContact O-N 2.94Å; Q130-Q144 HydrophobicContact CG-CB 4.12Å; Q144-D146 PolarHBondContact NE2-OD2 3.09Å; Q144-R179 HydrophobicContact CG-CG 3.81Å; Q144-A180 WeakPolarHBondContact CA-O 3.41Å; Q144-I181 HydrophobicContact CG-CG1 4.43Å |
| 145 | C | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.5 | 174.4 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | T126 L127 F154 R179 A180 F182 C197 | T126-C145 CarbonylContact O-C 3.6Å; T126-C145 WeakPolarHBondContact O-CA 3.24Å; L127-C145 HydrophobicContact CD1-CB 4.38Å; C145-F154 HydrophobicContact CB-CD1 4.22Å; C145-F154 VanDerWaalsContact SG-CD1 3.55Å; C145-R179 CarbonylContact O-C 3.6Å; C145-R179 VanDerWaalsContact O-CA 3.28Å; C145-R179 WeakPolarHBondContact O-CA 3.4Å; C145-A180 PolarHBondContact N-O 2.81Å; C145-A180 PolarHBondContact O-N 3.21Å; C145-F182 HydrophobicContact CB-CE2 4.02Å; C145-C197 HydrophobicContact CB-CB 3.7Å; C145-C197 WeakPolarHBondContact CB-SG 3.35Å; C145-C197 WeakPolarHBondContact SG-CB 3.4Å; C145-C197 CovalentContact SG-SG 2.04Å; C145-C197 PolarHBondContact SG-SG 3.34Å |
| 146 | D | 92.8 | Very high | 91.3 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 147 | -179.2 | -78.1 | -84.9 | 0 | 0 | 0 | 111.1 | P125 T126 Q144 R179 | P125-D146 CarbonylContact C-O 3.52Å; P125-D146 WeakPolarHBondContact CA-O 3.29Å; P125-D146 VanDerWaalsContact CB-O 3.29Å; P125-D146 WeakPolarHBondContact CB-O 3.45Å; T126-D146 PolarHBondContact N-O 3.47Å; T126-D146 PolarHBondContact O-N 3.34Å; Q144-D146 PolarHBondContact NE2-OD2 3.09Å; D146-R179 IonicContact OD1-CZ 2.8Å; D146-R179 IonicContact OD1-NE 2.78Å; D146-R179 PolarHBondContact OD1-NE 2.89Å; D146-R179 IonicContact OD1-NH2 2.64Å; D146-R179 PolarHBondContact OD1-NH2 2.99Å; D146-R179 IonicContact OD2-NE 3.98Å; D146-R179 IonicContact OD2-NH2 3.26Å |
| 147 | S | 92.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145.2 | 172.5 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | V149 F151 S178 | S147-V149 VanDerWaalsContact C-N 3.25Å; S147-V149 VanDerWaalsContact CB-O 3.24Å; S147-V149 WeakPolarHBondContact CB-O 3.26Å; S147-V149 PolarHBondContact OG-N 2.87Å; S147-V149 PolarHBondContact OG-O 3.06Å; S147-F151 WeakPolarHBondContact OG-CE2 3.22Å; S147-S178 PolarHBondContact N-O 2.83Å; S147-S178 WeakPolarHBondContact O-CB 3.42Å |
| 148 | Q | 88.6 | Confident | 91.2 | Very high | 191 Ų | 191 | 33.5 Ų | 33.5 | 89% | 0.893 | 20% | 0.202 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -25.2 | 171.7 | -59.3 | -177.6 | 18.2 | 0 | 0 | 111.9 | ||
| 149 | V | 88.6 | Confident | 90.8 | Very high | 73 Ų | 73 | 34.3 Ų | 34.3 | 44% | 0.442 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.6 | 176.9 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | I123 S147 F151 | I123-V149 HydrophobicContact CD1-CG2 3.94Å; S147-V149 VanDerWaalsContact C-N 3.25Å; S147-V149 VanDerWaalsContact CB-O 3.24Å; S147-V149 WeakPolarHBondContact CB-O 3.26Å; S147-V149 PolarHBondContact OG-N 2.87Å; S147-V149 PolarHBondContact OG-O 3.06Å; V149-F151 HydrophobicContact CB-CE2 4.02Å; V149-F151 HydrophobicContact CB-CZ 4.49Å; V149-F151 HydrophobicContact CG1-CE2 4.22Å; V149-F151 HydrophobicContact CG1-CZ 4.35Å; V149-F151 WeakPolarHBondContact O-CD2 3.39Å |
| 150 | A | 89 | Confident | 89.8 | Confident | 57 Ų | 57 | 34.9 Ų | 34.9 | 47% | 0.471 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 132.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G176 | A150-G176 WeakPolarHBondContact CB-O 3.42Å |
| 151 | F | 88.7 | Confident | 88.1 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155 | 176.9 | -73.6 | -77.9 | 0 | 0 | 0 | 111.4 | Y122 S147 V149 F154 S177 A199 | Y122-F151 HydrophobicContact CD1-CE1 4.36Å; Y122-F151 AromaticContact CD2-CE1 3.72Å; Y122-F151 HydrophobicContact CD2-CE1 3.72Å; Y122-F151 HydrophobicContact CD2-CZ 4.17Å; Y122-F151 HydrophobicContact CE2-CE1 4.16Å; Y122-F151 AromaticContact CG-CE1 3.84Å; Y122-F151 HydrophobicContact CG-CE1 3.84Å; Y122-F151 AromaticContact CG-CZ 3.95Å; Y122-F151 HydrophobicContact CG-CZ 3.95Å; S147-F151 WeakPolarHBondContact OG-CE2 3.22Å; V149-F151 HydrophobicContact CB-CE2 4.02Å; V149-F151 HydrophobicContact CB-CZ 4.49Å; V149-F151 HydrophobicContact CG1-CE2 4.22Å; V149-F151 HydrophobicContact CG1-CZ 4.35Å; V149-F151 WeakPolarHBondContact O-CD2 3.39Å; F151-F154 HydrophobicContact CB-CE2 4.13Å; F151-F154 HydrophobicContact CB-CZ 4.15Å; F151-F154 HydrophobicContact CD2-CZ 4.44Å; F151-S177 PolarHBondContact N-O 3.09Å; F151-S177 PolarHBondContact O-N 3.14Å; F151-S177 PolarHBondContact O-OG 3.27Å; F151-A199 HydrophobicContact CB-CB 4.07Å; F151-A199 HydrophobicContact CD1-CB 4.09Å; F151-A199 HydrophobicContact CD2-CB 3.39Å; F151-A199 HydrophobicContact CE1-CB 4.38Å; F151-A199 HydrophobicContact CE2-CB 3.72Å; F151-A199 HydrophobicContact CG-CB 3.59Å; F151-A199 HydrophobicContact CZ-CB 4.21Å |
| 152 | D | 87.6 | Confident | 86.2 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 17% | 0.171 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -88.6 | -15.8 | -179.6 | -77.5 | -12.3 | 0 | 0 | 0 | 113.4 | R175 G176 Y200 S202 | D152-R175 WeakPolarHBondContact OD1-CA 3.32Å; D152-R175 WeakPolarHBondContact OD1-CG 3.25Å; D152-R175 IonicContact OD2-CZ 2.7Å; D152-R175 IonicContact OD2-NH1 3.54Å; D152-R175 PolarHBondContact OD2-NH1 2.91Å; D152-G176 PolarHBondContact OD1-N 2.92Å; D152-Y200 PolarHBondContact N-O 3.24Å; D152-S202 WeakPolarHBondContact OD2-CB 3.33Å; D152-S202 PolarHBondContact OD2-OG 2.67Å |
| 153 | G | 89.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 152.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y200 | G153-Y200 VanDerWaalsContact C-CE1 3.44Å; G153-Y200 PolarHBondContact N-O 3.32Å; G153-Y200 WeakPolarHBondContact O-CD1 3.49Å; G153-Y200 PolarHBondContact O-N 2.98Å |
| 154 | F | 92.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 153 | 174.4 | -67.6 | -98 | 0 | 0 | 0 | 109.4 | C145 F151 S170 S177 A180 F182 Y198 A199 | C145-F154 HydrophobicContact CB-CD1 4.22Å; C145-F154 VanDerWaalsContact SG-CD1 3.55Å; F151-F154 HydrophobicContact CB-CE2 4.13Å; F151-F154 HydrophobicContact CB-CZ 4.15Å; F151-F154 HydrophobicContact CD2-CZ 4.44Å; F154-S170 PolarHBondContact N-OG 3.28Å; F154-S170 WeakPolarHBondContact O-CB 3.4Å; F154-S170 PolarHBondContact O-N 3.16Å; F154-S170 PolarHBondContact O-OG 2.96Å; F154-S177 WeakPolarHBondContact CE2-O 3.48Å; F154-A180 HydrophobicContact CB-CB 3.49Å; F154-A180 VanDerWaalsContact CB-CB 3.49Å; F154-A180 HydrophobicContact CD2-CB 3.56Å; F154-A180 HydrophobicContact CE2-CB 4.4Å; F154-A180 HydrophobicContact CG-CB 3.62Å; F154-F182 HydrophobicContact CB-CE2 4.34Å; F154-F182 HydrophobicContact CB-CZ 3.95Å; F154-Y198 CarbonylContact C-O 3.54Å; F154-Y198 VanDerWaalsContact CA-O 3.25Å; F154-Y198 WeakPolarHBondContact CA-O 3.43Å; F154-A199 HydrophobicContact CD1-CB 3.63Å; F154-A199 HydrophobicContact CE1-CB 3.62Å; F154-A199 HydrophobicContact CG-CB 4.42Å; F154-A199 HydrophobicContact CZ-CB 4.37Å |
| 155 | I | 92.4 | Very high | 81 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127.6 | -176.8 | -58.9 | -179 | 0 | 0 | 0 | 108.7 | C167 L168 N169 C197 Y198 Y200 W208 | I155-C167 HydrophobicContact CG2-CB 3.63Å; I155-L168 WeakPolarHBondContact CA-O 3.46Å; I155-N169 WeakPolarHBondContact CD1-OD1 3.29Å; I155-N169 WeakPolarHBondContact CG1-OD1 3.43Å; I155-C197 CarbonylContact O-C 3.58Å; I155-C197 WeakPolarHBondContact O-CA 3.44Å; I155-Y198 PolarHBondContact N-O 2.84Å; I155-Y198 PolarHBondContact O-N 3.36Å; I155-Y200 HydrophobicContact CD1-CD1 3.64Å; I155-Y200 HydrophobicContact CD1-CE1 3.54Å; I155-Y200 HydrophobicContact CG1-CD1 3.76Å; I155-Y200 HydrophobicContact CG1-CE1 3.52Å; I155-W208 HydrophobicContact CD1-CD2 4.1Å; I155-W208 HydrophobicContact CD1-CH2 3.84Å; I155-W208 HydrophobicContact CD1-CZ2 3.23Å; I155-W208 HydrophobicContact CD1-CZ3 4.47Å; I155-W208 HydrophobicContact CG2-CH2 3.97Å; I155-W208 HydrophobicContact CG2-CZ2 4.44Å; I155-W208 HydrophobicContact CG2-CZ3 4.19Å |
| 156 | L | 93.8 | Very high | 80 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 109.8 | 176.7 | 178.1 | 74.9 | 0 | 0 | 0 | 108.8 | L127 L143 C167 L168 F182 V184 Y195 C197 | L127-L156 HydrophobicContact CD1-CD1 3.95Å; L127-L156 HydrophobicContact CD2-CD1 4.03Å; L143-L156 HydrophobicContact CB-CD2 4.43Å; L143-L156 HydrophobicContact CD1-CD1 4.01Å; L143-L156 HydrophobicContact CD1-CD2 3.97Å; L156-C167 CarbonylContact O-C 3.49Å; L156-C167 WeakPolarHBondContact O-CA 3.46Å; L156-L168 PolarHBondContact N-O 3.14Å; L156-L168 PolarHBondContact O-N 2.97Å; L156-F182 HydrophobicContact CB-CD1 3.74Å; L156-F182 HydrophobicContact CB-CD2 4.05Å; L156-F182 HydrophobicContact CB-CE1 3.76Å; L156-F182 HydrophobicContact CB-CE2 4.07Å; L156-F182 HydrophobicContact CB-CG 3.89Å; L156-F182 HydrophobicContact CB-CZ 3.92Å; L156-F182 HydrophobicContact CD2-CB 3.63Å; L156-F182 HydrophobicContact CD2-CD1 4.21Å; L156-F182 HydrophobicContact CD2-CD2 4.33Å; L156-F182 HydrophobicContact CD2-CG 3.83Å; L156-F182 HydrophobicContact CG-CG 4.43Å; L156-V184 HydrophobicContact CD2-CG1 3.63Å; L156-Y195 HydrophobicContact CD1-CD1 3.87Å; L156-Y195 HydrophobicContact CD1-CG 4.23Å; L156-Y195 HydrophobicContact CD2-CD1 3.98Å; L156-Y195 HydrophobicContact CD2-CE1 4.09Å; L156-Y195 HydrophobicContact CG-CD1 3.77Å; L156-Y195 HydrophobicContact CG-CE1 4.28Å; L156-C197 HydrophobicContact CD1-CB 4.32Å |
| 157 | C | 91.7 | Very high | 79.5 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.9 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | P165 C167 Y195 R196 Y198 | C157-P165 HydrophobicContact CB-CB 4.4Å; C157-C167 HydrophobicContact CB-CB 4.16Å; C157-C167 WeakPolarHBondContact CB-SG 3.47Å; C157-C167 WeakPolarHBondContact SG-CB 3.1Å; C157-C167 CovalentContact SG-SG 2.05Å; C157-C167 PolarHBondContact SG-SG 2.85Å; C157-Y195 WeakPolarHBondContact O-CA 3.48Å; C157-R196 PolarHBondContact N-O 2.98Å; C157-R196 PolarHBondContact O-N 2.94Å; C157-Y198 HydrophobicContact CB-CE2 4.17Å |
| 158 | K | 88.5 | Confident | 79 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 141 | 165.8 | -175.4 | -165.5 | 166.3 | -156.1 | 0 | 109.6 | E163 Q166 W194 Y195 | K158-E163 IonicContact NZ-OE2 2.72Å; K158-E163 PolarHBondContact NZ-OE2 3.08Å; K158-Q166 HydrophobicContact CB-CB 4.37Å; K158-Q166 PolarHBondContact N-O 2.9Å; K158-W194 WeakPolarHBondContact CA-O 3.46Å; K158-Y195 HydrophobicContact CB-CD1 4.17Å; K158-Y195 HydrophobicContact CB-CE1 3.78Å; K158-Y195 HydrophobicContact CG-CE1 4.2Å |
| 159 | E | 82.8 | Confident | 78.8 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.2 | 180 | -157.8 | 166.1 | 142.4 | 0 | 0 | 111.1 | W194 R196 L214 | E159-W194 HydrophobicContact CB-CB 4.09Å; E159-W194 PolarHBondContact N-O 2.92Å; E159-R196 IonicContact OE1-CZ 3.3Å; E159-R196 IonicContact OE1-NH1 2.85Å; E159-R196 PolarHBondContact OE1-NH1 2.89Å; E159-R196 WeakPolarHBondContact OE2-CD 3.43Å; E159-R196 IonicContact OE2-CZ 2.66Å; E159-R196 IonicContact OE2-NE 2.67Å; E159-R196 IonicContact OE2-NH1 3.87Å; E159-R196 PolarHBondContact OE2-NH1 3.47Å; E159-L214 HydrophobicContact CB-CD1 4.49Å |
| 160 | G | 69 | Low | 78.2 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | trans | 173.3 | 165.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 161 | E | 57 | Low | 77.2 | Confident | 178 Ų | 178 | 62.9 Ų | 62.9 | 83% | 0.832 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -74 | -33.9 | -166.6 | -69.3 | 170 | 111.4 | 0 | 0 | 114.6 | ||
| 162 | D | 50.8 | Low | 75.7 | Confident | 168 Ų | 168 | 68.3 Ų | 68.3 | 90% | 0.898 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -105.5 | -3.3 | -172.1 | -64.3 | -59.2 | 0 | 0 | 0 | 115.5 | ||
| 163 | E | 53.2 | Low | 74.2 | Confident | 86 Ų | 86 | 73.3 Ų | 73.3 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -119.8 | 134.1 | -174.7 | -72.8 | -177 | 135 | 0 | 0 | 112.4 | K158 Q166 | K158-E163 IonicContact NZ-OE2 2.72Å; K158-E163 PolarHBondContact NZ-OE2 3.08Å; E163-Q166 VanDerWaalsContact CD-NE2 3.25Å; E163-Q166 PolarHBondContact OE1-NE2 2.77Å |
| 164 | H | 57 | Low | 72.4 | Confident | 133 Ų | 133 | 77.4 Ų | 77.4 | 62% | 0.616 | 42% | 0.42 | S | S | * | . | trans | -57 | 140.2 | 164.1 | -75.6 | 52.9 | 0 | 0 | 0 | 109.2 | Q166 | H164-Q166 PolarHBondContact O-N 2.93Š| ||
| 165 | P | 61.1 | Low | 70.8 | Confident | 69 Ų | 69 | 86.3 Ų | 86.3 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | trans | -51.5 | 109.4 | -172.3 | -30.6 | 36 | 0 | 0 | 0 | 113.5 | C157 C167 | C157-P165 HydrophobicContact CB-CB 4.4Å; P165-C167 PolarHBondContact O-N 2.78Å; P165-C167 PolarHBondContact O-SG 2.91Å | ||
| 166 | Q | 72.7 | Confident | 69.4 | Low | 101 Ų | 101 | 88 Ų | 88 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 94.7 | 177.8 | -72.7 | 177.1 | 11.7 | 0 | 0 | 108.4 | K158 E163 H164 | K158-Q166 HydrophobicContact CB-CB 4.37Å; K158-Q166 PolarHBondContact N-O 2.9Å; E163-Q166 VanDerWaalsContact CD-NE2 3.25Å; E163-Q166 PolarHBondContact OE1-NE2 2.77Å; H164-Q166 PolarHBondContact O-N 2.93Å |
| 167 | C | 82.7 | Confident | 68.5 | Low | 41 Ų | 41 | 89.1 Ų | 89.1 | 28% | 0.277 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.5 | -176.3 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | I155 L156 C157 P165 | I155-C167 HydrophobicContact CG2-CB 3.63Å; L156-C167 CarbonylContact O-C 3.49Å; L156-C167 WeakPolarHBondContact O-CA 3.46Å; C157-C167 HydrophobicContact CB-CB 4.16Å; C157-C167 WeakPolarHBondContact CB-SG 3.47Å; C157-C167 WeakPolarHBondContact SG-CB 3.1Å; C157-C167 CovalentContact SG-SG 2.05Å; C157-C167 PolarHBondContact SG-SG 2.85Å; P165-C167 PolarHBondContact O-N 2.78Å; P165-C167 PolarHBondContact O-SG 2.91Å |
| 168 | L | 82.6 | Confident | 68.2 | Low | 94 Ų | 94 | 92 Ų | 92 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.7 | 175.8 | -66.3 | 173.4 | 0 | 0 | 0 | 109.8 | I155 L156 F182 | I155-L168 WeakPolarHBondContact CA-O 3.46Å; L156-L168 PolarHBondContact N-O 3.14Å; L156-L168 PolarHBondContact O-N 2.97Å; L168-F182 WeakPolarHBondContact O-CE1 3.41Å |
| 169 | N | 83.1 | Confident | 68.2 | Low | 100 Ų | 100 | 96.8 Ų | 96.8 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 142.7 | 176.9 | -60.7 | -4.8 | 0 | 0 | 0 | 110.6 | I155 | I155-N169 WeakPolarHBondContact CD1-OD1 3.29Å; I155-N169 WeakPolarHBondContact CG1-OD1 3.43Å |
| 170 | S | 77.7 | Confident | 68.6 | Low | 19 Ų | 19 | 93.8 Ų | 93.8 | 13% | 0.133 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 142.6 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | F154 | F154-S170 PolarHBondContact N-OG 3.28Å; F154-S170 WeakPolarHBondContact O-CB 3.4Å; F154-S170 PolarHBondContact O-N 3.16Å; F154-S170 PolarHBondContact O-OG 2.96Å |
| 171 | Q | 66.4 | Low | 69.7 | Low | 154 Ų | 154 | 97.1 Ų | 97.1 | 72% | 0.72 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 137.9 | 167.4 | -65.6 | -176.3 | 6.3 | 0 | 0 | 109.7 | H173 | Q171-H173 PolarHBondContact O-N 3.04Å; Q171-H173 PolarHBondContact O-ND1 3.24Å |
| 172 | P | 57 | Low | 71.3 | Confident | 126 Ų | 126 | 89.2 Ų | 89.2 | 82% | 0.818 | 48% | 0.475 | S | S | * | . | trans | -64.9 | 102.6 | -176.6 | 26.3 | -34.4 | 0 | 0 | 0 | 110.7 | ||||
| 173 | H | 57.2 | Low | 73.2 | Confident | 137 Ų | 137 | 85.9 Ų | 85.9 | 63% | 0.634 | 47% | 0.465 | S | S | * | . | trans | -86.6 | -179.2 | 171.3 | -78.7 | 63.1 | 0 | 0 | 0 | 110.2 | Q171 R175 | Q171-H173 PolarHBondContact O-N 3.04Å; Q171-H173 PolarHBondContact O-ND1 3.24Å; H173-R175 PolarHBondContact O-N 3.41Å | ||
| 174 | A | 51.5 | Low | 75 | Confident | 85 Ų | 85 | 82 Ų | 82 | 70% | 0.702 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -56.7 | 137 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G176 | A174-G176 PolarHBondContact O-N 2.67Š|
| 175 | R | 58.3 | Low | 76.4 | Confident | 187 Ų | 187 | 77.4 Ų | 77.4 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -47.6 | 133.5 | -179.2 | -171 | -173.3 | -80 | -78.9 | 9.3 | 111.1 | D152 H173 S202 | D152-R175 WeakPolarHBondContact OD1-CA 3.32Å; D152-R175 WeakPolarHBondContact OD1-CG 3.25Å; D152-R175 IonicContact OD2-CZ 2.7Å; D152-R175 IonicContact OD2-NH1 3.54Å; D152-R175 PolarHBondContact OD2-NH1 2.91Å; H173-R175 PolarHBondContact O-N 3.41Å; R175-S202 PolarHBondContact NH1-OG 2.71Å |
| 176 | G | 63.2 | Low | 77.8 | Confident | 38 Ų | 38 | 78.1 Ų | 78.1 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 76 | 45 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A150 D152 A174 | A150-G176 WeakPolarHBondContact CB-O 3.42Å; D152-G176 PolarHBondContact OD1-N 2.92Å; A174-G176 PolarHBondContact O-N 2.67Å |
| 177 | S | 74.5 | Confident | 78.7 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 136.3 | 173.3 | 66.9 | 0 | 0 | 0 | 0 | 112 | F151 F154 | F151-S177 PolarHBondContact N-O 3.09Å; F151-S177 PolarHBondContact O-N 3.14Å; F151-S177 PolarHBondContact O-OG 3.27Å; F154-S177 WeakPolarHBondContact CE2-O 3.48Å |
| 178 | S | 85.3 | Confident | 78.9 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 46% | 0.462 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -0.3 | 172.3 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | S147 | S147-S178 PolarHBondContact N-O 2.83Å; S147-S178 WeakPolarHBondContact O-CB 3.42Å |
| 179 | R | 89.5 | Confident | 79 | Confident | 122 Ų | 122 | 69.7 Ų | 69.7 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 140.3 | -173.6 | 176.1 | 179 | -65.7 | 165.9 | 5.3 | 111.9 | Q144 C145 D146 I181 | Q144-R179 HydrophobicContact CG-CG 3.81Å; C145-R179 CarbonylContact O-C 3.6Å; C145-R179 VanDerWaalsContact O-CA 3.28Å; C145-R179 WeakPolarHBondContact O-CA 3.4Å; D146-R179 IonicContact OD1-CZ 2.8Å; D146-R179 IonicContact OD1-NE 2.78Å; D146-R179 PolarHBondContact OD1-NE 2.89Å; D146-R179 IonicContact OD1-NH2 2.64Å; D146-R179 PolarHBondContact OD1-NH2 2.99Å; D146-R179 IonicContact OD2-NE 3.98Å; D146-R179 IonicContact OD2-NH2 3.26Å; R179-I181 HydrophobicContact CG-CG1 4.45Å |
| 180 | A | 91 | Very high | 78.8 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 5% | 0.05 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 156.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q144 C145 F154 F182 | Q144-A180 WeakPolarHBondContact CA-O 3.41Å; C145-A180 PolarHBondContact N-O 2.81Å; C145-A180 PolarHBondContact O-N 3.21Å; F154-A180 HydrophobicContact CB-CB 3.49Å; F154-A180 VanDerWaalsContact CB-CB 3.49Å; F154-A180 HydrophobicContact CD2-CB 3.56Å; F154-A180 HydrophobicContact CE2-CB 4.4Å; F154-A180 HydrophobicContact CG-CB 3.62Å; A180-F182 HydrophobicContact CB-CD2 4.48Å; A180-F182 HydrophobicContact CB-CE2 3.65Å; A180-F182 HydrophobicContact CB-CZ 3.92Å |
| 181 | I | 91.2 | Very high | 79 | Confident | 105 Ų | 105 | 73.9 Ų | 73.9 | 54% | 0.538 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.2 | -178.4 | -64 | 173.1 | 0 | 0 | 0 | 108.3 | T142 Q144 R179 | T142-I181 HydrophobicContact CG2-CG2 3.41Å; T142-I181 VanDerWaalsContact CG2-CG2 3.41Å; Q144-I181 HydrophobicContact CG-CG1 4.43Å; R179-I181 HydrophobicContact CG-CG1 4.45Å |
| 182 | F | 91.9 | Very high | 79.8 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 6% | 0.057 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.8 | -176.6 | -57.1 | -92.8 | 0 | 0 | 0 | 110 | T142 L143 C145 F154 L156 L168 A180 | T142-F182 CarbonylContact C-O 3.47Å; T142-F182 WeakPolarHBondContact CA-O 3.26Å; L143-F182 PolarHBondContact N-O 2.76Å; L143-F182 PolarHBondContact O-N 3.11Å; C145-F182 HydrophobicContact CB-CE2 4.02Å; F154-F182 HydrophobicContact CB-CE2 4.34Å; F154-F182 HydrophobicContact CB-CZ 3.95Å; L156-F182 HydrophobicContact CB-CD1 3.74Å; L156-F182 HydrophobicContact CB-CD2 4.05Å; L156-F182 HydrophobicContact CB-CE1 3.76Å; L156-F182 HydrophobicContact CB-CE2 4.07Å; L156-F182 HydrophobicContact CB-CG 3.89Å; L156-F182 HydrophobicContact CB-CZ 3.92Å; L156-F182 HydrophobicContact CD2-CB 3.63Å; L156-F182 HydrophobicContact CD2-CD1 4.21Å; L156-F182 HydrophobicContact CD2-CD2 4.33Å; L156-F182 HydrophobicContact CD2-CG 3.83Å; L156-F182 HydrophobicContact CG-CG 4.43Å; L168-F182 WeakPolarHBondContact O-CE1 3.41Å; A180-F182 HydrophobicContact CB-CD2 4.48Å; A180-F182 HydrophobicContact CB-CE2 3.65Å; A180-F182 HydrophobicContact CB-CZ 3.92Å |
| 183 | S | 91.3 | Very high | 81.3 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.3 | 170.5 | -54.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 184 | V | 90.1 | Very high | 82.9 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.3 | 175.9 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | N140 V141 L143 L156 Y195 L217 | N140-V184 CarbonylContact C-O 3.5Å; N140-V184 VanDerWaalsContact CA-O 3.3Å; N140-V184 WeakPolarHBondContact CA-O 3.43Å; V141-V184 HydrophobicContact CG1-CG2 3.55Å; V141-V184 PolarHBondContact N-O 3.21Å; V141-V184 PolarHBondContact O-N 3.11Å; L143-V184 HydrophobicContact CD1-CG1 4.37Å; L143-V184 HydrophobicContact CD1-CG2 4.01Å; L143-V184 HydrophobicContact CD2-CG2 4.43Å; L143-V184 HydrophobicContact CG-CG2 3.88Å; L156-V184 HydrophobicContact CD2-CG1 3.63Å; V184-Y195 HydrophobicContact CG1-CE1 4.23Å; V184-Y195 HydrophobicContact CG2-CE2 4.27Å; V184-L217 HydrophobicContact CG2-CD1 4.24Å |
| 185 | G | 86.3 | Confident | 84.8 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | trans | 134.9 | -179.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N140 | N140-G185 VanDerWaalsContact OD1-C 3.29Å; N140-G185 WeakPolarHBondContact OD1-CA 3.34Å | ||
| 186 | P | 90.9 | Very high | 86.5 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | cis | -65.7 | 136.1 | 0.1 | 27.1 | -35 | 0 | 0 | 0 | 112.2 | G138 G139 N140 W193 | G138-P186 WeakPolarHBondContact O-CB 3.29Å; G139-P186 CarbonylContact O-C 3.53Å; G139-P186 WeakPolarHBondContact O-CA 3.43Å; N140-P186 VanDerWaalsContact OD1-CA 3.28Å; N140-P186 WeakPolarHBondContact OD1-CA 3.36Å; P186-W193 WeakPolarHBondContact O-CH2 3.23Å | ||
| 187 | V | 90.2 | Very high | 88 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | trans | -74.9 | 147.7 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | V135 N136 G138 G139 W193 L217 V219 | V135-V187 HydrophobicContact CB-CG2 4.13Å; V135-V187 HydrophobicContact CG1-CG1 4.39Å; V135-V187 HydrophobicContact CG1-CG2 3.7Å; N136-V187 VanDerWaalsContact O-CG2 3.3Å; N136-V187 WeakPolarHBondContact O-CG2 3.14Å; G138-V187 PolarHBondContact N-O 3.28Å; G139-V187 PolarHBondContact O-N 3.33Å; V187-W193 HydrophobicContact CB-CD2 4.39Å; V187-W193 HydrophobicContact CB-CZ2 4.29Å; V187-W193 HydrophobicContact CG1-CD2 4.32Å; V187-W193 HydrophobicContact CG1-CE3 4.24Å; V187-W193 HydrophobicContact CG1-CZ3 4.37Å; V187-L217 HydrophobicContact CG1-CD1 4.39Å; V187-V219 HydrophobicContact CB-CG2 4.07Å; V187-V219 HydrophobicContact CG2-CG1 4.02Å; V187-V219 HydrophobicContact CG2-CG2 4.1Å | ||
| 188 | S | 87.1 | Confident | 88.9 | Confident | 29 Ų | 29 | 50 Ų | 50 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | trans | -139.8 | 132.3 | -176.4 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | S190 W193 | S188-S190 PolarHBondContact O-N 2.78Å; S188-S190 PolarHBondContact OG-OG 2.67Å; S188-W193 PolarHBondContact O-NE1 2.92Å | ||
| 189 | P | 84.5 | Confident | 89.3 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 2.5 | -177.2 | 29.5 | -36.3 | 0 | 0 | 0 | 114.4 | S137 R191 V219 S305 E306 | S137-P189 VanDerWaalsContact OG-CD 3.28Å; S137-P189 WeakPolarHBondContact OG-CD 3.48Å; P189-R191 PolarHBondContact O-N 3.34Å; P189-V219 HydrophobicContact CB-CG1 4.13Å; P189-S305 CarbonylContact O-C 3.57Å; P189-S305 VanDerWaalsContact O-CB 3.31Å; P189-S305 WeakPolarHBondContact O-CB 3.29Å; P189-E306 HydrophobicContact CB-CB 3.57Å; P189-E306 HydrophobicContact CB-CG 3.8Å; P189-E306 HydrophobicContact CG-CB 4.37Å; P189-E306 HydrophobicContact CG-CG 4.2Å |
| 190 | S | 80.4 | Confident | 89.4 | Confident | 100 Ų | 100 | 42.8 Ų | 42.8 | 70% | 0.699 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -6.1 | 176 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | S188 | S188-S190 PolarHBondContact O-N 2.78Å; S188-S190 PolarHBondContact OG-OG 2.67Å |
| 191 | R | 80.3 | Confident | 89.4 | Confident | 107 Ų | 107 | 44.8 Ų | 44.8 | 40% | 0.404 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -157.7 | 161.8 | -179.7 | 59.4 | -177.1 | 171.6 | -133.3 | -7.6 | 110.5 | P189 W193 S305 | P189-R191 PolarHBondContact O-N 3.34Å; R191-W193 HydrophobicContact CG-CZ2 4.37Å; R191-W193 VanDerWaalsContact NE-CZ2 3.28Å; R191-W193 VanDerWaalsContact NH2-CH2 3.29Å; R191-W193 VanDerWaalsContact NH2-CZ2 3.3Å; R191-W193 PolarHBondContact O-NE1 3.44Å; R191-S305 WeakPolarHBondContact O-CB 3.43Å |
| 192 | R | 84.9 | Confident | 89.2 | Confident | 88 Ų | 88 | 42.2 Ų | 42.2 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | trans | -75.3 | 155.2 | 167.1 | -64.1 | -171.7 | -175.1 | 156.9 | 5.4 | 111.1 | W194 S305 | R192-W194 HydrophobicContact CB-CD2 4.2Å; R192-W194 HydrophobicContact CB-CE3 4.29Å; R192-W194 HydrophobicContact CB-CZ2 4.5Å; R192-S305 VanDerWaalsContact CG-OG 3.3Å; R192-S305 WeakPolarHBondContact CG-OG 3.5Å | ||
| 193 | W | 88.3 | Confident | 89.1 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 5% | 0.045 | 26% | 0.262 | C | S | . | . | trans | -126.4 | 74.8 | -175.8 | -69.4 | 81.1 | 0 | 0 | 0 | 108.7 | P186 V187 S188 R191 Y195 L217 V219 | P186-W193 WeakPolarHBondContact O-CH2 3.23Å; V187-W193 HydrophobicContact CB-CD2 4.39Å; V187-W193 HydrophobicContact CB-CZ2 4.29Å; V187-W193 HydrophobicContact CG1-CD2 4.32Å; V187-W193 HydrophobicContact CG1-CE3 4.24Å; V187-W193 HydrophobicContact CG1-CZ3 4.37Å; S188-W193 PolarHBondContact O-NE1 2.92Å; R191-W193 HydrophobicContact CG-CZ2 4.37Å; R191-W193 VanDerWaalsContact NE-CZ2 3.28Å; R191-W193 VanDerWaalsContact NH2-CH2 3.29Å; R191-W193 VanDerWaalsContact NH2-CZ2 3.3Å; R191-W193 PolarHBondContact O-NE1 3.44Å; W193-Y195 HydrophobicContact CB-CE2 4.35Å; W193-Y195 HydrophobicContact CE3-CE2 4.12Å; W193-L217 HydrophobicContact CB-CB 3.93Å; W193-L217 HydrophobicContact CB-CD1 4.2Å; W193-L217 HydrophobicContact CB-CG 4.32Å; W193-L217 PolarHBondContact O-N 2.95Å; W193-V219 HydrophobicContact CG-CG2 4.41Å | ||
| 194 | W | 89.4 | Confident | 89 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 139.6 | 175.3 | -67.9 | -47.1 | 0 | 0 | 0 | 111 | K158 E159 R192 L214 L215 E216 | K158-W194 WeakPolarHBondContact CA-O 3.46Å; E159-W194 HydrophobicContact CB-CB 4.09Å; E159-W194 PolarHBondContact N-O 2.92Å; R192-W194 HydrophobicContact CB-CD2 4.2Å; R192-W194 HydrophobicContact CB-CE3 4.29Å; R192-W194 HydrophobicContact CB-CZ2 4.5Å; W194-L214 HydrophobicContact CB-CD1 3.99Å; W194-L214 HydrophobicContact CB-CG 4.41Å; W194-L214 HydrophobicContact CG-CD2 4.27Å; W194-L214 HydrophobicContact CG-CG 4.49Å; W194-L215 CarbonylContact C-O 3.38Å; W194-L215 WeakPolarHBondContact CA-O 3.37Å; W194-E216 PolarHBondContact NE1-OE2 3.07Å |
| 195 | Y | 91.9 | Very high | 89 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.5 | -179.7 | -72.3 | -79.7 | 0 | 0 | 0 | 112.4 | L127 L143 L156 C157 K158 V184 W193 L215 L217 | L127-Y195 WeakPolarHBondContact CD2-O 3.37Å; L143-Y195 HydrophobicContact CD1-CD1 4.15Å; L143-Y195 HydrophobicContact CD1-CD2 3.62Å; L143-Y195 HydrophobicContact CD1-CE2 4.06Å; L143-Y195 HydrophobicContact CD1-CG 3.66Å; L156-Y195 HydrophobicContact CD1-CD1 3.87Å; L156-Y195 HydrophobicContact CD1-CG 4.23Å; L156-Y195 HydrophobicContact CD2-CD1 3.98Å; L156-Y195 HydrophobicContact CD2-CE1 4.09Å; L156-Y195 HydrophobicContact CG-CD1 3.77Å; L156-Y195 HydrophobicContact CG-CE1 4.28Å; C157-Y195 WeakPolarHBondContact O-CA 3.48Å; K158-Y195 HydrophobicContact CB-CD1 4.17Å; K158-Y195 HydrophobicContact CB-CE1 3.78Å; K158-Y195 HydrophobicContact CG-CE1 4.2Å; V184-Y195 HydrophobicContact CG1-CE1 4.23Å; V184-Y195 HydrophobicContact CG2-CE2 4.27Å; W193-Y195 HydrophobicContact CB-CE2 4.35Å; W193-Y195 HydrophobicContact CE3-CE2 4.12Å; Y195-L215 PolarHBondContact N-O 3.34Å; Y195-L215 PolarHBondContact O-N 2.86Å; Y195-L217 HydrophobicContact CD2-CD1 4.22Å; Y195-L217 HydrophobicContact CD2-CG 4.46Å; Y195-L217 HydrophobicContact CE2-CD1 3.85Å |
| 196 | R | 94.4 | Very high | 89.3 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 25% | 0.249 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.2 | 162.8 | -74.5 | -179.6 | 165 | 124 | 1.7 | 109.6 | C157 E159 Y198 S212 L214 | C157-R196 PolarHBondContact N-O 2.98Å; C157-R196 PolarHBondContact O-N 2.94Å; E159-R196 IonicContact OE1-CZ 3.3Å; E159-R196 IonicContact OE1-NH1 2.85Å; E159-R196 PolarHBondContact OE1-NH1 2.89Å; E159-R196 WeakPolarHBondContact OE2-CD 3.43Å; E159-R196 IonicContact OE2-CZ 2.66Å; E159-R196 IonicContact OE2-NE 2.67Å; E159-R196 IonicContact OE2-NH1 3.87Å; E159-R196 PolarHBondContact OE2-NH1 3.47Å; R196-Y198 HydrophobicContact CB-CE2 4.28Å; R196-S212 WeakPolarHBondContact CA-OG 3.46Å; R196-L214 HydrophobicContact CG-CD1 3.74Å |
| 197 | C | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 153.7 | 169.1 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | P125 L127 C145 I155 L156 S212 | P125-C197 WeakPolarHBondContact CG-O 3.36Å; L127-C197 HydrophobicContact CD1-CB 4.06Å; L127-C197 HydrophobicContact CD2-CB 4.42Å; C145-C197 HydrophobicContact CB-CB 3.7Å; C145-C197 WeakPolarHBondContact CB-SG 3.35Å; C145-C197 WeakPolarHBondContact SG-CB 3.4Å; C145-C197 CovalentContact SG-SG 2.04Å; C145-C197 PolarHBondContact SG-SG 3.34Å; I155-C197 CarbonylContact O-C 3.58Å; I155-C197 WeakPolarHBondContact O-CA 3.44Å; L156-C197 HydrophobicContact CD1-CB 4.32Å; C197-S212 PolarHBondContact N-OG 2.96Å; C197-S212 PolarHBondContact O-N 3.43Å |
| 198 | Y | 94.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 157.5 | 179.7 | -58.9 | -92.5 | 0 | 0 | 0 | 109.1 | T119 F154 I155 C157 R196 W208 S209 P211 | T119-Y198 HydrophobicContact CG2-CD1 4.08Å; T119-Y198 HydrophobicContact CG2-CE1 3.7Å; F154-Y198 CarbonylContact C-O 3.54Å; F154-Y198 VanDerWaalsContact CA-O 3.25Å; F154-Y198 WeakPolarHBondContact CA-O 3.43Å; I155-Y198 PolarHBondContact N-O 2.84Å; I155-Y198 PolarHBondContact O-N 3.36Å; C157-Y198 HydrophobicContact CB-CE2 4.17Å; R196-Y198 HydrophobicContact CB-CE2 4.28Å; Y198-W208 HydrophobicContact CD1-CB 4.39Å; Y198-W208 HydrophobicContact CD1-CE3 4.09Å; Y198-W208 AromaticContact CD2-CE3 3.93Å; Y198-W208 HydrophobicContact CD2-CE3 3.93Å; Y198-W208 HydrophobicContact CD2-CZ3 4.13Å; Y198-W208 HydrophobicContact CE2-CE3 4.47Å; Y198-W208 HydrophobicContact CE2-CZ3 4.48Å; Y198-W208 AromaticContact CG-CE3 3.72Å; Y198-W208 HydrophobicContact CG-CE3 3.72Å; Y198-W208 HydrophobicContact CG-CZ3 4.38Å; Y198-S209 WeakPolarHBondContact CA-OG 3.35Å; Y198-P211 HydrophobicContact CD1-CB 4.45Å; Y198-P211 VanDerWaalsContact CE1-CA 3.48Å; Y198-P211 HydrophobicContact CE1-CB 3.63Å; Y198-P211 HydrophobicContact CE1-CG 4.42Å |
| 199 | A | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F151 F154 S209 | F151-A199 HydrophobicContact CB-CB 4.07Å; F151-A199 HydrophobicContact CD1-CB 4.09Å; F151-A199 HydrophobicContact CD2-CB 3.39Å; F151-A199 HydrophobicContact CE1-CB 4.38Å; F151-A199 HydrophobicContact CE2-CB 3.72Å; F151-A199 HydrophobicContact CG-CB 3.59Å; F151-A199 HydrophobicContact CZ-CB 4.21Å; F154-A199 HydrophobicContact CD1-CB 3.63Å; F154-A199 HydrophobicContact CE1-CB 3.62Å; F154-A199 HydrophobicContact CG-CB 4.42Å; F154-A199 HydrophobicContact CZ-CB 4.37Å; A199-S209 PolarHBondContact N-OG 2.89Å; A199-S209 PolarHBondContact O-N 3.03Å |
| 200 | Y | 91.9 | Very high | 90.7 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 158.7 | -176.7 | 72 | -92.4 | 0 | 0 | 0 | 112.9 | D152 G153 I155 P205 | D152-Y200 PolarHBondContact N-O 3.24Å; G153-Y200 VanDerWaalsContact C-CE1 3.44Å; G153-Y200 PolarHBondContact N-O 3.32Å; G153-Y200 WeakPolarHBondContact O-CD1 3.49Å; G153-Y200 PolarHBondContact O-N 2.98Å; I155-Y200 HydrophobicContact CD1-CD1 3.64Å; I155-Y200 HydrophobicContact CD1-CE1 3.54Å; I155-Y200 HydrophobicContact CG1-CD1 3.76Å; I155-Y200 HydrophobicContact CG1-CE1 3.52Å; Y200-P205 HydrophobicContact CD2-CB 4.07Å; Y200-P205 HydrophobicContact CE2-CB 3.88Å |
| 201 | D | 89.6 | Confident | 91.4 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | trans | -93 | 140.5 | 173.9 | 177.4 | -90.6 | 0 | 0 | 0 | 111.6 | N203 S204 | D201-N203 PolarHBondContact O-N 3.44Å; D201-N203 VanDerWaalsContact O-N 3.14Å; D201-N203 WeakPolarHBondContact OD1-CA 3.26Å; D201-N203 WeakPolarHBondContact OD1-CB 3.47Å; D201-N203 PolarHBondContact OD1-N 2.69Å; D201-N203 PolarHBondContact OD1-ND2 2.66Å; D201-S204 CarbonylContact O-C 3.58Å; D201-S204 PolarHBondContact O-N 3.38Å | ||
| 202 | S | 88.5 | Confident | 92.2 | Very high | 51 Ų | 51 | 38.2 Ų | 38.2 | 36% | 0.357 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.9 | -173.2 | 60.5 | 0 | 0 | 0 | 0 | 115 | D152 R175 | D152-S202 WeakPolarHBondContact OD2-CB 3.33Å; D152-S202 PolarHBondContact OD2-OG 2.67Å; R175-S202 PolarHBondContact NH1-OG 2.71Å |
| 203 | N | 88.5 | Confident | 92.6 | Very high | 125 Ų | 125 | 38.8 Ų | 38.8 | 67% | 0.668 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -26.4 | 176.1 | -51 | -80.4 | 0 | 0 | 0 | 111.6 | D201 P205 | D201-N203 PolarHBondContact O-N 3.44Å; D201-N203 VanDerWaalsContact O-N 3.14Å; D201-N203 WeakPolarHBondContact OD1-CA 3.26Å; D201-N203 WeakPolarHBondContact OD1-CB 3.47Å; D201-N203 PolarHBondContact OD1-N 2.69Å; D201-N203 PolarHBondContact OD1-ND2 2.66Å; N203-P205 VanDerWaalsContact C-CD 3.47Å |
| 204 | S | 90.1 | Very high | 92.7 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -126 | 63.4 | 178.3 | -83.3 | 0 | 0 | 0 | 0 | 112.1 | D201 Y206 E207 | D201-S204 CarbonylContact O-C 3.58Å; D201-S204 PolarHBondContact O-N 3.38Å; S204-Y206 PolarHBondContact O-N 2.94Å; S204-E207 VanDerWaalsContact CB-CD 3.49Å; S204-E207 WeakPolarHBondContact CB-OE1 3.36Å; S204-E207 PolarHBondContact O-N 2.9Å; S204-E207 PolarHBondContact OG-OE1 2.99Å |
| 205 | P | 90.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -2.9 | -171.2 | 29.2 | -37.4 | 0 | 0 | 0 | 115.8 | Y200 N203 W208 | Y200-P205 HydrophobicContact CD2-CB 4.07Å; Y200-P205 HydrophobicContact CE2-CB 3.88Å; N203-P205 VanDerWaalsContact C-CD 3.47Å; P205-W208 PolarHBondContact O-NE1 2.79Å |
| 206 | Y | 92.9 | Very high | 92.8 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 6.7 | 177.3 | -53.1 | -72.1 | 0 | 0 | 0 | 112.5 | T93 E115 V117 V118 S204 | T93-Y206 VanDerWaalsContact CG2-O 3.32Å; T93-Y206 WeakPolarHBondContact CG2-O 3.4Å; E115-Y206 HydrophobicContact CB-CD1 4.34Å; E115-Y206 HydrophobicContact CB-CE1 3.92Å; E115-Y206 HydrophobicContact CG-CE1 3.91Å; E115-Y206 PolarHBondContact OE1-OH 2.89Å; V117-Y206 WeakPolarHBondContact CA-O 3.3Å; V117-Y206 HydrophobicContact CG2-CD1 4.24Å; V118-Y206 PolarHBondContact N-O 3.45Å; S204-Y206 PolarHBondContact O-N 2.94Å |
| 207 | E | 94.8 | Very high | 92.7 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 110.4 | 175 | -59.3 | 170 | -128.5 | 0 | 0 | 108 | W90 T93 V118 S204 | W90-E207 VanDerWaalsContact CB-CD 3.48Å; W90-E207 HydrophobicContact CB-CG 3.89Å; W90-E207 VanDerWaalsContact CB-OE2 3.28Å; W90-E207 WeakPolarHBondContact CB-OE2 3.17Å; T93-E207 HydrophobicContact CG2-CG 4.11Å; V118-E207 HydrophobicContact CG1-CB 4.34Å; V118-E207 HydrophobicContact CG1-CG 4.17Å; S204-E207 VanDerWaalsContact CB-CD 3.49Å; S204-E207 WeakPolarHBondContact CB-OE1 3.36Å; S204-E207 PolarHBondContact O-N 2.9Å; S204-E207 PolarHBondContact OG-OE1 2.99Å |
| 208 | W | 95.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 160.8 | -170.9 | -60.4 | -2.7 | 0 | 0 | 0 | 111.6 | V38 V117 V118 T119 G120 A121 I155 Y198 P205 | V38-W208 HydrophobicContact CG1-CE3 4.2Å; V38-W208 HydrophobicContact CG1-CZ3 3.86Å; V38-W208 HydrophobicContact CG2-CH2 4.02Å; V38-W208 HydrophobicContact CG2-CZ3 4.02Å; V117-W208 HydrophobicContact CB-CZ2 4.23Å; V117-W208 HydrophobicContact CG1-CD2 3.33Å; V117-W208 HydrophobicContact CG1-CE3 3.66Å; V117-W208 HydrophobicContact CG1-CG 3.78Å; V117-W208 HydrophobicContact CG1-CH2 3.98Å; V117-W208 HydrophobicContact CG1-CZ2 3.68Å; V117-W208 HydrophobicContact CG1-CZ3 3.98Å; V117-W208 HydrophobicContact CG2-CH2 4.16Å; V117-W208 HydrophobicContact CG2-CZ2 3.58Å; V118-W208 PolarHBondContact O-N 2.85Å; T119-W208 HydrophobicContact CG2-CB 4.25Å; T119-W208 HydrophobicContact CG2-CE3 4.08Å; G120-W208 PolarHBondContact N-O 3.36Å; A121-W208 WeakPolarHBondContact CB-O 3.36Å; A121-W208 PolarHBondContact N-O 2.9Å; I155-W208 HydrophobicContact CD1-CD2 4.1Å; I155-W208 HydrophobicContact CD1-CH2 3.84Å; I155-W208 HydrophobicContact CD1-CZ2 3.23Å; I155-W208 HydrophobicContact CD1-CZ3 4.47Å; I155-W208 HydrophobicContact CG2-CH2 3.97Å; I155-W208 HydrophobicContact CG2-CZ2 4.44Å; I155-W208 HydrophobicContact CG2-CZ3 4.19Å; Y198-W208 HydrophobicContact CD1-CB 4.39Å; Y198-W208 HydrophobicContact CD1-CE3 4.09Å; Y198-W208 AromaticContact CD2-CE3 3.93Å; Y198-W208 HydrophobicContact CD2-CE3 3.93Å; Y198-W208 HydrophobicContact CD2-CZ3 4.13Å; Y198-W208 HydrophobicContact CE2-CE3 4.47Å; Y198-W208 HydrophobicContact CE2-CZ3 4.48Å; Y198-W208 AromaticContact CG-CE3 3.72Å; Y198-W208 HydrophobicContact CG-CE3 3.72Å; Y198-W208 HydrophobicContact CG-CZ3 4.38Å; P205-W208 PolarHBondContact O-NE1 2.79Å |
| 209 | S | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 170.8 | 171 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | G120 Y122 I123 P125 Y198 A199 | G120-S209 PolarHBondContact N-O 3.04Å; Y122-S209 CarbonylContact O-C 3.55Å; I123-S209 WeakPolarHBondContact O-CB 3.24Å; P125-S209 WeakPolarHBondContact CD-OG 3.31Å; Y198-S209 WeakPolarHBondContact CA-OG 3.35Å; A199-S209 PolarHBondContact N-OG 2.89Å; A199-S209 PolarHBondContact O-N 3.03Å |
| 210 | L | 96.1 | Very high | 92.4 | Very high | 86 Ų | 86 | 37.2 Ų | 37.2 | 45% | 0.45 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -54.2 | 149.3 | 152.9 | -72.3 | 167.9 | 0 | 0 | 0 | 109.8 | Y122 K124 P125 | Y122-L210 PolarHBondContact O-N 2.91Å; K124-L210 HydrophobicContact CB-CB 3.86Å; P125-L210 WeakPolarHBondContact CD-O 3.28Å |
| 211 | P | 95.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -61.5 | 146.1 | 173.4 | 24.3 | -32.9 | 0 | 0 | 0 | 111.7 | K124 Y198 | K124-P211 WeakPolarHBondContact CB-O 3.28Å; Y198-P211 HydrophobicContact CD1-CB 4.45Å; Y198-P211 VanDerWaalsContact CE1-CA 3.48Å; Y198-P211 HydrophobicContact CE1-CB 3.63Å; Y198-P211 HydrophobicContact CE1-CG 4.42Å |
| 212 | S | 95.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 164.9 | 159.5 | 75.6 | 0 | 0 | 0 | 0 | 111.4 | P125 R196 C197 | P125-S212 WeakPolarHBondContact O-CA 3.46Å; P125-S212 VanDerWaalsContact O-CB 3.31Å; P125-S212 WeakPolarHBondContact O-CB 3.38Å; R196-S212 WeakPolarHBondContact CA-OG 3.46Å; C197-S212 PolarHBondContact N-OG 2.96Å; C197-S212 PolarHBondContact O-N 3.43Å |
| 213 | D | 93.4 | Very high | 91.8 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 54% | 0.535 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 155.4 | 162 | -53.3 | -60.1 | 0 | 0 | 0 | 110.3 | K124 | K124-D213 IonicContact NZ-OD1 2.65Å; K124-D213 PolarHBondContact NZ-OD1 2.88Å; K124-D213 IonicContact NZ-OD2 2.67Å; K124-D213 PolarHBondContact NZ-OD2 2.95Å |
| 214 | L | 91.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -82.6 | 118.5 | -171.8 | -172.6 | 70.5 | 0 | 0 | 0 | 110.2 | E159 W194 R196 | E159-L214 HydrophobicContact CB-CD1 4.49Å; W194-L214 HydrophobicContact CB-CD1 3.99Å; W194-L214 HydrophobicContact CB-CG 4.41Å; W194-L214 HydrophobicContact CG-CD2 4.27Å; W194-L214 HydrophobicContact CG-CG 4.49Å; R196-L214 HydrophobicContact CG-CD1 3.74Å |
| 215 | L | 92.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.7 | 175.9 | -177 | 63.3 | 0 | 0 | 0 | 110.2 | L127 A129 P133 L143 W194 Y195 | L127-L215 HydrophobicContact CD2-CB 3.85Å; L127-L215 HydrophobicContact CD2-CD2 4.23Å; L127-L215 HydrophobicContact CG-CB 4.16Å; L127-L215 HydrophobicContact CG-CD2 3.86Å; A129-L215 HydrophobicContact CB-CD2 4.07Å; P133-L215 HydrophobicContact CB-CD1 4.44Å; L143-L215 HydrophobicContact CD2-CD2 4.06Å; W194-L215 CarbonylContact C-O 3.38Å; W194-L215 WeakPolarHBondContact CA-O 3.37Å; Y195-L215 PolarHBondContact N-O 3.34Å; Y195-L215 PolarHBondContact O-N 2.86Å |
| 216 | E | 91.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.4 | 167.7 | -172.3 | 168.2 | 155.1 | 0 | 0 | 110 | W194 R254 F265 | W194-E216 PolarHBondContact NE1-OE2 3.07Å; E216-R254 IonicContact OE1-NH2 2.72Å; E216-F265 HydrophobicContact CB-CE1 4.49Å; E216-F265 HydrophobicContact CB-CZ 3.85Å; E216-F265 HydrophobicContact CG-CZ 3.99Å; E216-F265 WeakPolarHBondContact O-CE1 3.27Å |
| 217 | L | 91.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -97.3 | 127.9 | 169.2 | -56.9 | 177.1 | 0 | 0 | 0 | 110.9 | A129 P133 V141 L143 V184 V187 W193 Y195 V219 | A129-L217 HydrophobicContact CB-CD2 3.96Å; P133-L217 WeakPolarHBondContact O-CA 3.38Å; V141-L217 HydrophobicContact CG1-CD1 3.56Å; V141-L217 HydrophobicContact CG1-CD2 4.17Å; L143-L217 HydrophobicContact CD2-CD2 4.05Å; V184-L217 HydrophobicContact CG2-CD1 4.24Å; V187-L217 HydrophobicContact CG1-CD1 4.39Å; W193-L217 HydrophobicContact CB-CB 3.93Å; W193-L217 HydrophobicContact CB-CD1 4.2Å; W193-L217 HydrophobicContact CB-CG 4.32Å; W193-L217 PolarHBondContact O-N 2.95Å; Y195-L217 HydrophobicContact CD2-CD1 4.22Å; Y195-L217 HydrophobicContact CD2-CG 4.46Å; Y195-L217 HydrophobicContact CE2-CD1 3.85Å; L217-V219 PolarHBondContact O-N 3.38Å |
| 218 | L | 91.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 99.3 | 180 | -166.1 | 149.2 | 0 | 0 | 0 | 109.3 | P133 V134 V135 L220 V256 F265 Y298 W307 | P133-L218 PolarHBondContact O-N 2.94Å; V134-L218 HydrophobicContact CG1-CD2 3.97Å; V134-L218 HydrophobicContact CG2-CB 4.17Å; V134-L218 HydrophobicContact CG2-CD2 4.43Å; V135-L218 PolarHBondContact N-O 3.32Å; L218-L220 HydrophobicContact CD2-CD2 3.42Å; L218-L220 VanDerWaalsContact CD2-CD2 3.42Å; L218-L220 HydrophobicContact CD2-CG 4.34Å; L218-L220 PolarHBondContact O-N 2.99Å; L218-V256 HydrophobicContact CD1-CB 3.78Å; L218-V256 HydrophobicContact CD1-CG1 3.42Å; L218-V256 VanDerWaalsContact CD1-CG1 3.42Å; L218-V256 HydrophobicContact CD1-CG2 4.12Å; L218-F265 HydrophobicContact CB-CD1 4.49Å; L218-F265 HydrophobicContact CB-CE1 3.91Å; L218-F265 HydrophobicContact CB-CZ 4.17Å; L218-F265 HydrophobicContact CD1-CD1 4.46Å; L218-F265 HydrophobicContact CD1-CD2 4.44Å; L218-F265 HydrophobicContact CD1-CE1 4.38Å; L218-F265 HydrophobicContact CD1-CE2 4.36Å; L218-F265 HydrophobicContact CD1-CG 4.48Å; L218-F265 HydrophobicContact CD1-CZ 4.31Å; L218-Y298 HydrophobicContact CD1-CD2 4.25Å; L218-Y298 HydrophobicContact CD1-CG 4.38Å; L218-Y298 HydrophobicContact CD2-CD1 3.96Å; L218-Y298 HydrophobicContact CD2-CD2 4.4Å; L218-Y298 HydrophobicContact CD2-CE1 4.37Å; L218-Y298 HydrophobicContact CD2-CG 3.97Å; L218-W307 HydrophobicContact CD1-CD2 4.14Å; L218-W307 HydrophobicContact CD1-CG 4.42Å; L218-W307 HydrophobicContact CD1-CZ2 4.3Å; L218-W307 HydrophobicContact CD2-CB 3.82Å; L218-W307 HydrophobicContact CD2-CD2 4.22Å; L218-W307 HydrophobicContact CD2-CG 3.7Å; L218-W307 HydrophobicContact CG-CB 4.46Å; L218-W307 HydrophobicContact CG-CD2 4Å; L218-W307 HydrophobicContact CG-CG 3.79Å |
| 219 | V | 92.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 110.7 | -177.2 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | V135 V187 P189 W193 L217 W307 | V135-V219 CarbonylContact O-C 3.58Å; V135-V219 WeakPolarHBondContact O-CA 3.41Å; V187-V219 HydrophobicContact CB-CG2 4.07Å; V187-V219 HydrophobicContact CG2-CG1 4.02Å; V187-V219 HydrophobicContact CG2-CG2 4.1Å; P189-V219 HydrophobicContact CB-CG1 4.13Å; W193-V219 HydrophobicContact CG-CG2 4.41Å; L217-V219 PolarHBondContact O-N 3.38Å; V219-W307 PolarHBondContact O-N 2.94Å; V219-W307 VanDerWaalsContact O-N 3.08Å |
| 220 | L | 91.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 135.7 | 178.5 | -57.4 | -179.9 | 0 | 0 | 0 | 112.1 | V134 V135 S137 L218 Y298 W307 | V134-L220 HydrophobicContact CG1-CD1 3.61Å; V134-L220 HydrophobicContact CG1-CD2 3.76Å; V134-L220 HydrophobicContact CG1-CG 3.66Å; V135-L220 PolarHBondContact O-N 3.28Å; S137-L220 VanDerWaalsContact CB-O 3.28Å; S137-L220 WeakPolarHBondContact CB-O 3.42Å; S137-L220 PolarHBondContact N-O 3.4Å; L218-L220 HydrophobicContact CD2-CD2 3.42Å; L218-L220 VanDerWaalsContact CD2-CD2 3.42Å; L218-L220 HydrophobicContact CD2-CG 4.34Å; L218-L220 PolarHBondContact O-N 2.99Å; L220-Y298 HydrophobicContact CD1-CE1 4.34Å; L220-Y298 HydrophobicContact CD2-CD1 3.34Å; L220-Y298 HydrophobicContact CD2-CE1 3.31Å; L220-Y298 HydrophobicContact CD2-CG 4.44Å; L220-Y298 HydrophobicContact CG-CE1 4.45Å; L220-W307 HydrophobicContact CD2-CB 4.44Å |
| 221 | G | 84.9 | Confident | 92.5 | Very high | 19 Ų | 19 | 46 Ų | 46 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | trans | -118.6 | -151.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.6 | E306 W307 | G221-E306 VanDerWaalsContact CA-OE1 3.26Å; G221-E306 WeakPolarHBondContact CA-OE1 3.49Å; G221-W307 WeakPolarHBondContact CA-O 3.47Å; G221-W307 PolarHBondContact N-O 2.67Å | ||
| 222 | V | 84 | Confident | 92.2 | Very high | 141 Ų | 141 | 48.9 Ų | 48.9 | 86% | 0.855 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -112.2 | 6.9 | -168.1 | -61.4 | 0 | 0 | 0 | 0 | 114.5 | E306 | V222-E306 PolarHBondContact N-OE1 2.88Å; V222-E306 VanDerWaalsContact N-OE1 3.16Å |
| 223 | S | 89 | Confident | 91.9 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -70.5 | 155.3 | -179 | -159.2 | 0 | 0 | 0 | 0 | 112.7 | K225 Y252 A309 | S223-K225 PolarHBondContact O-N 2.8Å; S223-Y252 VanDerWaalsContact CB-OH 3.29Å; S223-Y252 WeakPolarHBondContact CB-OH 3.41Å; S223-Y252 PolarHBondContact OG-OH 2.98Å; S223-A309 PolarHBondContact O-N 2.8Å |
| 224 | K | 93.1 | Very high | 91.9 | Very high | 115 Ų | 115 | 46 Ų | 46 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 126.8 | -169.9 | -175.3 | -179.2 | -178.3 | -179.6 | 0 | 112.6 | D249 A250 Y252 | K224-D249 VanDerWaalsContact CE-OD1 3.31Å; K224-D249 WeakPolarHBondContact CE-OD1 3.3Å; K224-D249 IonicContact NZ-OD1 3.67Å; K224-D249 PolarHBondContact NZ-OD1 3.47Å; K224-D249 IonicContact NZ-OD2 2.74Å; K224-D249 PolarHBondContact NZ-OD2 3.34Å; K224-A250 HydrophobicContact CB-CB 4.46Å; K224-Y252 PolarHBondContact N-OH 2.91Å; K224-Y252 WeakPolarHBondContact O-CE2 3.38Å; K224-Y252 PolarHBondContact O-OH 2.95Å |
| 225 | K | 95.6 | Very high | 92 | Very high | 91 Ų | 91 | 44 Ų | 44 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 139.5 | 177.5 | 70.8 | -178.4 | -164.8 | -175.7 | 0 | 112.3 | S223 A309 P310 D312 | S223-K225 PolarHBondContact O-N 2.8Å; K225-A309 WeakPolarHBondContact CA-O 3.35Å; K225-A309 HydrophobicContact CB-CB 4.15Å; K225-P310 WeakPolarHBondContact CB-O 3.3Å; K225-D312 WeakPolarHBondContact CE-OD2 3.49Å; K225-D312 IonicContact NZ-OD1 3.17Å; K225-D312 PolarHBondContact NZ-OD1 3.17Å; K225-D312 IonicContact NZ-OD2 3.88Å; K225-D312 PolarHBondContact NZ-OD2 2.98Å |
| 226 | P | 96.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 165 | 168 | 32.5 | -34.5 | 0 | 0 | 0 | 110.9 | G247 F255 C297 S308 A309 S311 | P226-G247 CarbonylContact C-O 3.59Å; P226-G247 VanDerWaalsContact CA-O 3.26Å; P226-G247 WeakPolarHBondContact CA-O 3.38Å; P226-G247 WeakPolarHBondContact CB-O 3.36Å; P226-F255 HydrophobicContact CB-CE1 4.22Å; P226-C297 HydrophobicContact CG-CB 4.23Å; P226-C297 WeakPolarHBondContact CG-O 3.45Å; P226-S308 WeakPolarHBondContact CD-OG 3.42Å; P226-A309 WeakPolarHBondContact CD-O 3.22Å; P226-S311 WeakPolarHBondContact O-CA 3.24Å; P226-S311 VanDerWaalsContact O-CB 3.22Å; P226-S311 WeakPolarHBondContact O-CB 3.48Å |
| 227 | S | 95.5 | Very high | 92.1 | Very high | 81 Ų | 81 | 43.8 Ų | 43.8 | 57% | 0.566 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 149.8 | 162.2 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | C246 G247 | S227-C246 WeakPolarHBondContact O-CA 3.43Å; S227-G247 PolarHBondContact N-O 2.98Å; S227-G247 PolarHBondContact O-N 2.91Å; S227-G247 PolarHBondContact OG-O 2.96Å |
| 228 | L | 96.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.8 | 173.8 | 179.7 | 60.2 | 0 | 0 | 0 | 108.2 | L244 Q245 C246 L257 C297 L314 | L228-L244 HydrophobicContact CD1-CB 4.26Å; L228-L244 HydrophobicContact CD1-CD2 4Å; L228-L244 HydrophobicContact CG-CD2 4.32Å; L228-Q245 WeakPolarHBondContact CA-O 3.42Å; L228-C246 HydrophobicContact CD1-CB 4.25Å; L228-L257 HydrophobicContact CD1-CD1 4.04Å; L228-L257 HydrophobicContact CD2-CD1 4.11Å; L228-C297 HydrophobicContact CB-CB 4.36Å; L228-C297 HydrophobicContact CD1-CB 4.18Å; L228-C297 HydrophobicContact CD2-CB 4.39Å; L228-L314 HydrophobicContact CD2-CB 3.97Å; L228-L314 HydrophobicContact CD2-CD2 4.44Å; L228-L314 HydrophobicContact CG-CB 4.29Å; L228-L314 HydrophobicContact CG-CD2 4.01Å |
| 229 | S | 94.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 171.5 | 174.7 | 67.9 | 0 | 0 | 0 | 0 | 110.4 | L244 Q245 | S229-L244 CarbonylContact O-C 3.58Å; S229-L244 WeakPolarHBondContact O-CA 3.49Å; S229-Q245 PolarHBondContact N-O 2.84Å; S229-Q245 PolarHBondContact O-N 2.58Å |
| 230 | V | 93.9 | Very high | 92 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.6 | -178.2 | 60.5 | 0 | 0 | 0 | 0 | 110.9 | G233 P234 L242 T243 L244 L314 I316 | V230-G233 VanDerWaalsContact CG1-C 3.42Å; V230-G233 WeakPolarHBondContact CG2-O 3.42Å; V230-P234 HydrophobicContact CG1-CB 4.12Å; V230-L242 HydrophobicContact CG2-CB 4.28Å; V230-L242 HydrophobicContact CG2-CD1 4.14Å; V230-T243 WeakPolarHBondContact CA-O 3.45Å; V230-L244 HydrophobicContact CB-CD2 3.97Å; V230-L244 HydrophobicContact CG2-CD2 4.27Å; V230-L244 HydrophobicContact CG2-CG 4.46Å; V230-L314 HydrophobicContact CB-CD2 3.96Å; V230-L314 HydrophobicContact CG1-CD2 3.96Å; V230-I316 HydrophobicContact CB-CD1 4.33Å; V230-I316 HydrophobicContact CG1-CD1 4.4Å; V230-I316 HydrophobicContact CG2-CD1 4Å |
| 231 | Q | 92.1 | Very high | 92.1 | Very high | 107 Ų | 107 | 60.2 Ų | 60.2 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 137.8 | 170.4 | -68.5 | -64.8 | -55.3 | 0 | 0 | 109.2 | L242 T243 | Q231-L242 CarbonylContact O-C 3.48Å; Q231-L242 WeakPolarHBondContact O-CA 3.37Å; Q231-T243 PolarHBondContact N-O 2.92Å; Q231-T243 PolarHBondContact O-N 2.94Å |
| 232 | P | 89.4 | Confident | 92.5 | Very high | 98 Ų | 98 | 59.3 Ų | 59.3 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | S | Bend | cis | -76 | -18.2 | 0.3 | 32 | -36 | 0 | 0 | 0 | 114.1 | ||
| 233 | G | 90.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 54 Ų | 54 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | trans | 179.8 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V230 V236 | V230-G233 VanDerWaalsContact CG1-C 3.42Å; V230-G233 WeakPolarHBondContact CG2-O 3.42Å; G233-V236 WeakPolarHBondContact O-CG2 3.25Å | ||
| 234 | P | 92.7 | Very high | 93.4 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -78.5 | -18.5 | -177.3 | 29.9 | -34.7 | 0 | 0 | 0 | 114 | V230 L317 P366 | V230-P234 HydrophobicContact CG1-CB 4.12Å; P234-L317 PolarHBondContact O-N 2.92Å; P234-P366 HydrophobicContact CG-CG 3.99Å |
| 235 | I | 93.7 | Very high | 93.5 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.3 | 171.6 | -54.4 | -173.9 | 0 | 0 | 0 | 108.8 | L317 A319 T358 P366 Y398 L408 | I235-L317 WeakPolarHBondContact CA-O 3.28Å; I235-L317 HydrophobicContact CG1-CB 4.22Å; I235-L317 HydrophobicContact CG1-CD1 4.2Å; I235-A319 HydrophobicContact CG2-CB 4.25Å; I235-T358 HydrophobicContact CD1-CG2 3.45Å; I235-T358 VanDerWaalsContact CD1-CG2 3.45Å; I235-T358 HydrophobicContact CG1-CG2 4.4Å; I235-P366 HydrophobicContact CD1-CB 4.36Å; I235-P366 HydrophobicContact CD1-CG 4.12Å; I235-P366 HydrophobicContact CG1-CG 4.17Å; I235-Y398 HydrophobicContact CD1-CD2 3.76Å; I235-Y398 HydrophobicContact CD1-CE2 3.6Å; I235-Y398 HydrophobicContact CD1-CG 4.46Å; I235-Y398 HydrophobicContact CG2-CE1 3.91Å; I235-Y398 HydrophobicContact CG2-CE2 4.31Å; I235-L408 HydrophobicContact CD1-CD1 3.71Å; I235-L408 HydrophobicContact CG1-CD1 4.03Å; I235-L408 HydrophobicContact CG2-CD1 3.8Å |
| 236 | V | 93.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.5 | -172 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | G233 E240 L242 V287 L317 I318 A319 | G233-V236 WeakPolarHBondContact O-CG2 3.25Å; V236-E240 HydrophobicContact CG1-CB 3.75Å; V236-E240 WeakPolarHBondContact CG1-OE2 3.38Å; V236-L242 HydrophobicContact CB-CD2 4.35Å; V236-L242 HydrophobicContact CG1-CD2 4.37Å; V236-L242 HydrophobicContact CG2-CB 4.13Å; V236-L242 HydrophobicContact CG2-CD2 3.82Å; V236-V287 HydrophobicContact CG1-CB 4.23Å; V236-V287 HydrophobicContact CG1-CG1 4.09Å; V236-V287 HydrophobicContact CG1-CG2 4.07Å; V236-L317 PolarHBondContact N-O 3Å; V236-I318 WeakPolarHBondContact O-CA 3.49Å; V236-A319 PolarHBondContact O-N 2.98Å |
| 237 | A | 92.4 | Very high | 93.5 | Very high | 31 Ų | 31 | 45 Ų | 45 | 26% | 0.256 | 26% | 0.263 | S | S | . | . | trans | -87.4 | 161.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E240 | A237-E240 HydrophobicContact CB-CG 4.01Å; A237-E240 PolarHBondContact N-OE2 2.91Å; A237-E240 WeakPolarHBondContact O-CB 3.1Å; A237-E240 PolarHBondContact O-N 2.77Å | ||
| 238 | P | 92.8 | Very high | 93.4 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 151.5 | 169.7 | -23.5 | 35.4 | 0 | 0 | 0 | 112.2 | E240 V287 I318 A319 | P238-E240 PolarHBondContact O-N 3Å; P238-V287 VanDerWaalsContact CA-O 3.31Å; P238-V287 WeakPolarHBondContact CA-O 3.28Å; P238-I318 HydrophobicContact CG-CG2 4.38Å; P238-A319 WeakPolarHBondContact CD-O 3.42Å |
| 239 | E | 89.4 | Confident | 93.3 | Very high | 145 Ų | 145 | 44.9 Ų | 44.9 | 68% | 0.678 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | -10.7 | -175.4 | -48.7 | -52.5 | 135.6 | 0 | 0 | 116.3 | V287 | E239-V287 PolarHBondContact N-O 2.83Š|
| 240 | E | 91.8 | Very high | 93.1 | Very high | 92 Ų | 92 | 44 Ų | 44 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | trans | -68.6 | 172.6 | 169.3 | -64.4 | -178.2 | 165.2 | 0 | 0 | 111.6 | V236 A237 P238 V287 | V236-E240 HydrophobicContact CG1-CB 3.75Å; V236-E240 WeakPolarHBondContact CG1-OE2 3.38Å; A237-E240 HydrophobicContact CB-CG 4.01Å; A237-E240 PolarHBondContact N-OE2 2.91Å; A237-E240 WeakPolarHBondContact O-CB 3.1Å; A237-E240 PolarHBondContact O-N 2.77Å; P238-E240 PolarHBondContact O-N 3Å; E240-V287 WeakPolarHBondContact O-CB 3.39Å; E240-V287 WeakPolarHBondContact O-CG2 3.31Å; E240-V287 PolarHBondContact O-N 3.39Å | ||
| 241 | T | 93.6 | Very high | 92.8 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 47% | 0.466 | 27% | 0.266 | S | S | . | . | trans | -130.2 | 129.4 | 175.6 | -65.4 | 0 | 0 | 0 | 0 | 109.1 | T283 L284 | T241-T283 HydrophobicContact CG2-CG2 3.48Å; T241-T283 VanDerWaalsContact CG2-CG2 3.48Å; T241-L284 WeakPolarHBondContact CA-O 3.42Å | ||
| 242 | L | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 156.8 | 176.7 | 69.5 | 86.2 | 0 | 0 | 0 | 110.4 | V230 Q231 V236 L244 T283 L284 V287 I316 | V230-L242 HydrophobicContact CG2-CB 4.28Å; V230-L242 HydrophobicContact CG2-CD1 4.14Å; Q231-L242 CarbonylContact O-C 3.48Å; Q231-L242 WeakPolarHBondContact O-CA 3.37Å; V236-L242 HydrophobicContact CB-CD2 4.35Å; V236-L242 HydrophobicContact CG1-CD2 4.37Å; V236-L242 HydrophobicContact CG2-CB 4.13Å; V236-L242 HydrophobicContact CG2-CD2 3.82Å; L242-L244 HydrophobicContact CD1-CD1 3.88Å; L242-L244 HydrophobicContact CD1-CG 3.78Å; L242-T283 WeakPolarHBondContact O-CA 3.2Å; L242-L284 HydrophobicContact CD1-CB 3.99Å; L242-L284 HydrophobicContact CD1-CD1 4.22Å; L242-L284 HydrophobicContact CD1-CG 4.36Å; L242-L284 HydrophobicContact CG-CB 4.16Å; L242-L284 PolarHBondContact N-O 3.47Å; L242-L284 PolarHBondContact O-N 3.28Å; L242-V287 HydrophobicContact CD2-CG2 3.98Å; L242-V287 HydrophobicContact CG-CG2 4.22Å; L242-I316 HydrophobicContact CD2-CG2 3.86Å |
| 243 | T | 95.6 | Very high | 92.9 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 116.9 | 170.5 | -64.7 | 0 | 0 | 0 | 0 | 110 | V230 Q231 Q245 N281 F282 T283 | V230-T243 WeakPolarHBondContact CA-O 3.45Å; Q231-T243 PolarHBondContact N-O 2.92Å; Q231-T243 PolarHBondContact O-N 2.94Å; T243-Q245 HydrophobicContact CG2-CG 4.21Å; T243-N281 HydrophobicContact CG2-CB 3.93Å; T243-F282 WeakPolarHBondContact CA-O 3.06Å; T243-T283 PolarHBondContact OG1-OG1 3.31Å |
| 244 | L | 96 | Very high | 93 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 120 | 171.9 | -78.4 | 156.6 | 0 | 0 | 0 | 108.6 | L228 S229 V230 L242 L257 F282 L284 Y295 L314 I316 | L228-L244 HydrophobicContact CD1-CB 4.26Å; L228-L244 HydrophobicContact CD1-CD2 4Å; L228-L244 HydrophobicContact CG-CD2 4.32Å; S229-L244 CarbonylContact O-C 3.58Å; S229-L244 WeakPolarHBondContact O-CA 3.49Å; V230-L244 HydrophobicContact CB-CD2 3.97Å; V230-L244 HydrophobicContact CG2-CD2 4.27Å; V230-L244 HydrophobicContact CG2-CG 4.46Å; L242-L244 HydrophobicContact CD1-CD1 3.88Å; L242-L244 HydrophobicContact CD1-CG 3.78Å; L244-L257 HydrophobicContact CB-CD1 4.5Å; L244-L257 HydrophobicContact CB-CD2 4.12Å; L244-L257 HydrophobicContact CD1-CD1 4.23Å; L244-L257 HydrophobicContact CD1-CD2 3.61Å; L244-L257 HydrophobicContact CG-CD2 4.48Å; L244-F282 HydrophobicContact CB-CB 4.23Å; L244-F282 PolarHBondContact N-O 2.93Å; L244-F282 PolarHBondContact O-N 3.26Å; L244-L284 HydrophobicContact CD1-CD1 3.83Å; L244-Y295 HydrophobicContact CD1-CD1 3.87Å; L244-Y295 HydrophobicContact CD1-CE1 4Å; L244-Y295 HydrophobicContact CD1-CG 4.2Å; L244-L314 HydrophobicContact CD2-CD2 3.65Å; L244-I316 HydrophobicContact CD2-CD1 4.31Å |
| 245 | Q | 95.4 | Very high | 93.1 | Very high | 58 Ų | 58 | 37.2 Ų | 37.2 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.8 | 179.8 | -57 | -169.2 | 10 | 0 | 0 | 108.9 | L228 S229 T243 N281 | L228-Q245 WeakPolarHBondContact CA-O 3.42Å; S229-Q245 PolarHBondContact N-O 2.84Å; S229-Q245 PolarHBondContact O-N 2.58Å; T243-Q245 HydrophobicContact CG2-CG 4.21Å; Q245-N281 WeakPolarHBondContact CG-OD1 3.46Å |
| 246 | C | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.5 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | S227 L228 F255 Q279 A280 F282 C297 | S227-C246 WeakPolarHBondContact O-CA 3.43Å; L228-C246 HydrophobicContact CD1-CB 4.25Å; C246-F255 HydrophobicContact CB-CD1 4.38Å; C246-F255 WeakPolarHBondContact SG-CD1 3.25Å; C246-Q279 CarbonylContact O-C 3.53Å; C246-Q279 VanDerWaalsContact O-CA 3.25Å; C246-Q279 WeakPolarHBondContact O-CA 3.45Å; C246-A280 PolarHBondContact N-O 2.85Å; C246-A280 PolarHBondContact O-N 3.3Å; C246-F282 HydrophobicContact CB-CE2 4.16Å; C246-C297 HydrophobicContact CB-CB 3.76Å; C246-C297 WeakPolarHBondContact CB-SG 3.49Å; C246-C297 WeakPolarHBondContact SG-CB 3.44Å; C246-C297 CovalentContact SG-SG 2.01Å; C246-C297 PolarHBondContact SG-SG 2.86Å |
| 247 | G | 94.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P226 S227 S278 | P226-G247 CarbonylContact C-O 3.59Å; P226-G247 VanDerWaalsContact CA-O 3.26Å; P226-G247 WeakPolarHBondContact CA-O 3.38Å; P226-G247 WeakPolarHBondContact CB-O 3.36Å; S227-G247 PolarHBondContact N-O 2.98Å; S227-G247 PolarHBondContact O-N 2.91Å; S227-G247 PolarHBondContact OG-O 2.96Å; G247-S278 CarbonylContact C-O 3.56Å; G247-S278 WeakPolarHBondContact CA-O 3.46Å |
| 248 | S | 94.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 143 | 170 | -168.1 | 0 | 0 | 0 | 0 | 112.3 | A250 S278 | S248-A250 VanDerWaalsContact C-N 3.27Å; S248-A250 WeakPolarHBondContact OG-CB 3.28Å; S248-A250 PolarHBondContact OG-N 3.3Å; S248-A250 VanDerWaalsContact OG-N 3.13Å; S248-S278 PolarHBondContact N-O 2.95Å; S248-S278 PolarHBondContact O-N 2.9Å; S248-S278 PolarHBondContact O-OG 2.74Å |
| 249 | D | 92 | Very high | 93.5 | Very high | 96 Ų | 96 | 33.8 Ų | 33.8 | 51% | 0.513 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3.6 | 168.2 | 63 | -21.8 | 0 | 0 | 0 | 113.1 | K224 G251 G276 | K224-D249 VanDerWaalsContact CE-OD1 3.31Å; K224-D249 WeakPolarHBondContact CE-OD1 3.3Å; K224-D249 IonicContact NZ-OD1 3.67Å; K224-D249 PolarHBondContact NZ-OD1 3.47Å; K224-D249 IonicContact NZ-OD2 2.74Å; K224-D249 PolarHBondContact NZ-OD2 3.34Å; D249-G251 PolarHBondContact O-N 3.46Å; D249-G276 VanDerWaalsContact CA-O 3.3Å; D249-G276 WeakPolarHBondContact CA-O 3.47Å |
| 250 | A | 90.4 | Very high | 93.6 | Very high | 37 Ų | 37 | 29.9 Ų | 29.9 | 31% | 0.306 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -1.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K224 S248 Y252 H301 | K224-A250 HydrophobicContact CB-CB 4.46Å; S248-A250 VanDerWaalsContact C-N 3.27Å; S248-A250 WeakPolarHBondContact OG-CB 3.28Å; S248-A250 PolarHBondContact OG-N 3.3Å; S248-A250 VanDerWaalsContact OG-N 3.13Å; A250-Y252 HydrophobicContact CB-CD2 4.2Å; A250-Y252 HydrophobicContact CB-CE1 4.06Å; A250-Y252 HydrophobicContact CB-CE2 3.72Å; A250-H301 PolarHBondContact O-CE1 2.92Å |
| 251 | G | 88.3 | Confident | 93.4 | Very high | 36 Ų | 36 | 28.7 Ų | 28.7 | 37% | 0.371 | 19% | 0.185 | S | C | . | . | trans | 69.5 | 39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D249 H301 | D249-G251 PolarHBondContact O-N 3.46Å; G251-H301 PolarHBondContact O-CE1 3.39Å; G251-H301 PolarHBondContact O-ND1 3.12Å | ||
| 252 | Y | 92.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | trans | -70.6 | 140.8 | 177.4 | -64.2 | -47 | 0 | 0 | 0 | 111.7 | S223 K224 A250 F255 S278 H301 | S223-Y252 VanDerWaalsContact CB-OH 3.29Å; S223-Y252 WeakPolarHBondContact CB-OH 3.41Å; S223-Y252 PolarHBondContact OG-OH 2.98Å; K224-Y252 PolarHBondContact N-OH 2.91Å; K224-Y252 WeakPolarHBondContact O-CE2 3.38Å; K224-Y252 PolarHBondContact O-OH 2.95Å; A250-Y252 HydrophobicContact CB-CD2 4.2Å; A250-Y252 HydrophobicContact CB-CE1 4.06Å; A250-Y252 HydrophobicContact CB-CE2 3.72Å; Y252-F255 HydrophobicContact CD2-CE1 4.07Å; Y252-F255 HydrophobicContact CD2-CZ 4.39Å; Y252-S278 PolarHBondContact N-OG 2.73Å; Y252-S278 WeakPolarHBondContact O-CB 3.32Å; Y252-S278 PolarHBondContact O-OG 2.73Å; Y252-H301 AromaticContact CD1-CE1 3.58Å; Y252-H301 AromaticContact CD1-NE2 3.61Å; Y252-H301 AromaticContact CE1-CE1 3.96Å; Y252-H301 AromaticContact CE1-NE2 3.58Å | ||
| 253 | N | 90.8 | Very high | 92.4 | Very high | 67 Ų | 67 | 34.6 Ų | 34.6 | 36% | 0.358 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -99.8 | -19 | -177.5 | -47.5 | 113.3 | 0 | 0 | 0 | 112.4 | G270 A300 H301 N302 | N253-G270 PolarHBondContact O-N 2.96Å; N253-A300 PolarHBondContact N-O 3.23Å; N253-H301 WeakPolarHBondContact OD1-CA 3.41Å; N253-H301 WeakPolarHBondContact OD1-CB 3.47Å; N253-N302 HydrophobicContact CB-CB 4.44Å; N253-N302 WeakPolarHBondContact CB-OD1 3.38Å; N253-N302 PolarHBondContact OD1-N 2.91Å |
| 254 | R | 92.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.1 | 175.7 | 68.2 | -174 | -145.4 | 146.6 | 0 | 110 | E216 Q267 L268 A300 W307 | E216-R254 IonicContact OE1-NH2 2.72Å; R254-Q267 VanDerWaalsContact CZ-OE1 3.24Å; R254-L268 WeakPolarHBondContact CA-O 3.38Å; R254-A300 HydrophobicContact CG-CB 3.83Å; R254-A300 PolarHBondContact N-O 3.33Å; R254-A300 PolarHBondContact O-N 3.47Å; R254-W307 HydrophobicContact CG-CH2 3.95Å; R254-W307 HydrophobicContact CG-CZ3 4.15Å; R254-W307 VanDerWaalsContact NH2-CE2 3.28Å |
| 255 | F | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.5 | 176.9 | -70 | -86.9 | 0 | 0 | 0 | 109.8 | P226 C246 Y252 Q267 L268 A280 F282 Y298 | P226-F255 HydrophobicContact CB-CE1 4.22Å; C246-F255 HydrophobicContact CB-CD1 4.38Å; C246-F255 WeakPolarHBondContact SG-CD1 3.25Å; Y252-F255 HydrophobicContact CD2-CE1 4.07Å; Y252-F255 HydrophobicContact CD2-CZ 4.39Å; F255-Q267 WeakPolarHBondContact O-CA 3.35Å; F255-L268 PolarHBondContact N-O 2.99Å; F255-L268 PolarHBondContact O-N 3.02Å; F255-A280 HydrophobicContact CB-CB 3.79Å; F255-A280 HydrophobicContact CD2-CB 3.67Å; F255-A280 HydrophobicContact CG-CB 3.98Å; F255-F282 HydrophobicContact CB-CE2 4.33Å; F255-F282 HydrophobicContact CB-CZ 4.14Å; F255-Y298 CarbonylContact C-O 3.51Å; F255-Y298 VanDerWaalsContact CA-O 3.26Å; F255-Y298 WeakPolarHBondContact CA-O 3.26Å |
| 256 | V | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 134 | 168.7 | 157.7 | 0 | 0 | 0 | 0 | 110.3 | L218 F265 L266 Q267 C297 Y298 W307 | L218-V256 HydrophobicContact CD1-CB 3.78Å; L218-V256 HydrophobicContact CD1-CG1 3.42Å; L218-V256 VanDerWaalsContact CD1-CG1 3.42Å; L218-V256 HydrophobicContact CD1-CG2 4.12Å; V256-F265 HydrophobicContact CB-CD2 4.28Å; V256-F265 HydrophobicContact CG1-CB 3.65Å; V256-F265 HydrophobicContact CG1-CD2 3.55Å; V256-F265 HydrophobicContact CG1-CE2 4.38Å; V256-F265 HydrophobicContact CG1-CG 3.75Å; V256-F265 HydrophobicContact CG2-CD2 3.6Å; V256-F265 HydrophobicContact CG2-CE2 3.87Å; V256-L266 CarbonylContact C-O 3.6Å; V256-L266 VanDerWaalsContact CA-O 3.24Å; V256-L266 WeakPolarHBondContact CA-O 3.49Å; V256-Q267 HydrophobicContact CG2-CB 3.6Å; V256-Q267 HydrophobicContact CG2-CG 3.83Å; V256-C297 CarbonylContact O-C 3.51Å; V256-C297 VanDerWaalsContact O-CA 3.24Å; V256-C297 WeakPolarHBondContact O-CA 3.41Å; V256-C297 PolarHBondContact O-SG 2.94Å; V256-Y298 HydrophobicContact CG1-CD2 4.27Å; V256-Y298 PolarHBondContact N-O 3.45Å; V256-Y298 PolarHBondContact O-N 2.92Å; V256-W307 HydrophobicContact CB-CH2 3.84Å; V256-W307 HydrophobicContact CB-CZ2 4.4Å; V256-W307 HydrophobicContact CB-CZ3 3.95Å; V256-W307 HydrophobicContact CG2-CH2 3.28Å; V256-W307 HydrophobicContact CG2-CZ2 3.7Å; V256-W307 HydrophobicContact CG2-CZ3 3.93Å |
| 257 | L | 96.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.7 | 164.8 | -179.1 | 73.4 | 0 | 0 | 0 | 109.1 | L228 L244 L266 F282 L284 Y295 | L228-L257 HydrophobicContact CD1-CD1 4.04Å; L228-L257 HydrophobicContact CD2-CD1 4.11Å; L244-L257 HydrophobicContact CB-CD1 4.5Å; L244-L257 HydrophobicContact CB-CD2 4.12Å; L244-L257 HydrophobicContact CD1-CD1 4.23Å; L244-L257 HydrophobicContact CD1-CD2 3.61Å; L244-L257 HydrophobicContact CG-CD2 4.48Å; L257-L266 PolarHBondContact N-O 2.8Å; L257-L266 PolarHBondContact O-N 2.9Å; L257-F282 HydrophobicContact CB-CD1 3.76Å; L257-F282 HydrophobicContact CB-CD2 4.01Å; L257-F282 HydrophobicContact CB-CE1 3.74Å; L257-F282 HydrophobicContact CB-CE2 3.99Å; L257-F282 HydrophobicContact CB-CG 3.9Å; L257-F282 HydrophobicContact CB-CZ 3.86Å; L257-F282 HydrophobicContact CD2-CB 3.69Å; L257-F282 HydrophobicContact CD2-CD1 4.15Å; L257-F282 HydrophobicContact CD2-CD2 4.33Å; L257-F282 HydrophobicContact CD2-CG 3.82Å; L257-F282 HydrophobicContact CG-CG 4.46Å; L257-L284 HydrophobicContact CD2-CD1 4.44Å; L257-Y295 HydrophobicContact CD1-CD1 3.95Å; L257-Y295 HydrophobicContact CD2-CD1 4.05Å; L257-Y295 HydrophobicContact CD2-CE1 4.27Å; L257-Y295 HydrophobicContact CG-CD1 3.96Å |
| 258 | Y | 95.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.2 | 175.6 | 170.2 | -110.1 | 0 | 0 | 0 | 110.2 | S132 P133 V134 G261 E262 F265 Y295 R296 | S132-Y258 PolarHBondContact OG-OH 3.44Å; P133-Y258 HydrophobicContact CG-CD2 4.32Å; P133-Y258 HydrophobicContact CG-CE2 3.73Å; V134-Y258 HydrophobicContact CG2-CD1 3.74Å; V134-Y258 HydrophobicContact CG2-CD2 4.46Å; V134-Y258 HydrophobicContact CG2-CE1 4Å; V134-Y258 HydrophobicContact CG2-CG 3.99Å; Y258-G261 PolarHBondContact OH-N 3.08Å; Y258-E262 HydrophobicContact CE2-CB 4.41Å; Y258-E262 WeakPolarHBondContact CE2-O 3.29Å; Y258-E262 PolarHBondContact OH-O 3Å; Y258-F265 HydrophobicContact CD2-CB 4.09Å; Y258-Y295 WeakPolarHBondContact O-CA 3.36Å; Y258-R296 PolarHBondContact N-O 2.98Å; Y258-R296 PolarHBondContact O-N 3.26Å |
| 259 | K | 94.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 14% | 0.143 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.7 | 174.7 | 174.2 | -177 | 169.1 | -67.7 | 0 | 108.5 | G261 E262 S290 G292 Q294 Y295 | K259-G261 PolarHBondContact O-N 2.93Å; K259-E262 HydrophobicContact CB-CG 3.83Å; K259-E262 HydrophobicContact CD-CG 3.83Å; K259-E262 HydrophobicContact CG-CG 3.93Å; K259-E262 IonicContact NZ-OE1 3.17Å; K259-E262 PolarHBondContact NZ-OE1 2.79Å; K259-E262 WeakPolarHBondContact O-CB 3.47Å; K259-E262 PolarHBondContact O-N 2.81Å; K259-E262 VanDerWaalsContact O-N 3.14Å; K259-S290 VanDerWaalsContact CE-O 3.26Å; K259-S290 WeakPolarHBondContact CE-O 3.22Å; K259-G292 WeakPolarHBondContact CE-O 3.36Å; K259-Q294 WeakPolarHBondContact CA-O 3.12Å; K259-Y295 HydrophobicContact CB-CD1 3.94Å; K259-Y295 HydrophobicContact CB-CE1 3.78Å; K259-Y295 HydrophobicContact CB-CE2 4.48Å; K259-Y295 HydrophobicContact CB-CG 4.41Å; K259-Y295 HydrophobicContact CD-CE1 4.34Å; K259-Y295 HydrophobicContact CD-CE2 4.11Å; K259-Y295 HydrophobicContact CG-CE1 4.31Å; K259-Y295 HydrophobicContact CG-CE2 4.17Å |
| 260 | D | 91.8 | Very high | 89.9 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 127.7 | -177.5 | -82.1 | 9.2 | 0 | 0 | 0 | 112 | Q294 R296 | D260-Q294 HydrophobicContact CB-CB 4.44Å; D260-Q294 PolarHBondContact N-O 2.96Å; D260-R296 IonicContact OD1-CZ 2.73Å; D260-R296 IonicContact OD1-NH1 3.07Å; D260-R296 PolarHBondContact OD1-NH1 2.86Å; D260-R296 IonicContact OD2-CZ 3.39Å; D260-R296 IonicContact OD2-NH1 3.87Å; D260-R296 PolarHBondContact OD2-NH1 3.38Å |
| 261 | G | 85.5 | Confident | 89.7 | Confident | 67 Ų | 67 | 50 Ų | 50 | 69% | 0.691 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -1.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y258 K259 | Y258-G261 PolarHBondContact OH-N 3.08Å; K259-G261 PolarHBondContact O-N 2.93Å |
| 262 | E | 87.6 | Confident | 89.3 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | trans | -78.9 | 163.2 | 169.4 | -62.8 | -54.9 | 152.2 | 0 | 0 | 112.1 | Y258 K259 | Y258-E262 HydrophobicContact CE2-CB 4.41Å; Y258-E262 WeakPolarHBondContact CE2-O 3.29Å; Y258-E262 PolarHBondContact OH-O 3Å; K259-E262 HydrophobicContact CB-CG 3.83Å; K259-E262 HydrophobicContact CD-CG 3.83Å; K259-E262 HydrophobicContact CG-CG 3.93Å; K259-E262 IonicContact NZ-OE1 3.17Å; K259-E262 PolarHBondContact NZ-OE1 2.79Å; K259-E262 WeakPolarHBondContact O-CB 3.47Å; K259-E262 PolarHBondContact O-N 2.81Å; K259-E262 VanDerWaalsContact O-N 3.14Å | ||
| 263 | R | 79.5 | Confident | 88.3 | Confident | 113 Ų | 113 | 58.5 Ų | 58.5 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -85.4 | -34.6 | 177.8 | -67.3 | 179 | 168.4 | 163.3 | -9.4 | 113.2 | P133 | P133-R263 WeakPolarHBondContact CG-O 3.43Š|
| 264 | D | 81.5 | Confident | 87.5 | Confident | 115 Ų | 115 | 61.6 Ų | 61.6 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | trans | -116.8 | 165.1 | -169.9 | -54.1 | -52.7 | 0 | 0 | 0 | 110.4 | ||||
| 265 | F | 88.8 | Confident | 86.6 | Confident | 34 Ų | 34 | 66 Ų | 66 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | trans | -136.7 | 150.9 | 177.2 | 54.2 | -107 | 0 | 0 | 0 | 110.9 | P133 E216 L218 V256 Y258 | P133-F265 HydrophobicContact CB-CD1 4.44Å; P133-F265 HydrophobicContact CB-CE1 4.42Å; P133-F265 HydrophobicContact CG-CD1 4.29Å; E216-F265 HydrophobicContact CB-CE1 4.49Å; E216-F265 HydrophobicContact CB-CZ 3.85Å; E216-F265 HydrophobicContact CG-CZ 3.99Å; E216-F265 WeakPolarHBondContact O-CE1 3.27Å; L218-F265 HydrophobicContact CB-CD1 4.49Å; L218-F265 HydrophobicContact CB-CE1 3.91Å; L218-F265 HydrophobicContact CB-CZ 4.17Å; L218-F265 HydrophobicContact CD1-CD1 4.46Å; L218-F265 HydrophobicContact CD1-CD2 4.44Å; L218-F265 HydrophobicContact CD1-CE1 4.38Å; L218-F265 HydrophobicContact CD1-CE2 4.36Å; L218-F265 HydrophobicContact CD1-CG 4.48Å; L218-F265 HydrophobicContact CD1-CZ 4.31Å; V256-F265 HydrophobicContact CB-CD2 4.28Å; V256-F265 HydrophobicContact CG1-CB 3.65Å; V256-F265 HydrophobicContact CG1-CD2 3.55Å; V256-F265 HydrophobicContact CG1-CE2 4.38Å; V256-F265 HydrophobicContact CG1-CG 3.75Å; V256-F265 HydrophobicContact CG2-CD2 3.6Å; V256-F265 HydrophobicContact CG2-CE2 3.87Å; Y258-F265 HydrophobicContact CD2-CB 4.09Å | ||
| 266 | L | 89.6 | Confident | 85.8 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.9 | -178.6 | -61.6 | 176.9 | 0 | 0 | 0 | 109.2 | V256 L257 F282 L284 | V256-L266 CarbonylContact C-O 3.6Å; V256-L266 VanDerWaalsContact CA-O 3.24Å; V256-L266 WeakPolarHBondContact CA-O 3.49Å; L257-L266 PolarHBondContact N-O 2.8Å; L257-L266 PolarHBondContact O-N 2.9Å; L266-F282 HydrophobicContact CB-CD1 3.97Å; L266-F282 HydrophobicContact CB-CE1 4.03Å; L266-F282 VanDerWaalsContact O-CE1 3.27Å; L266-F282 WeakPolarHBondContact O-CE1 3Å; L266-L284 HydrophobicContact CD1-CD2 3.78Å |
| 267 | Q | 90.5 | Very high | 85.4 | Confident | 84 Ų | 84 | 71 Ų | 71 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.5 | 173.5 | -174.6 | 175.1 | -98 | 0 | 0 | 111 | R254 F255 V256 W307 | R254-Q267 VanDerWaalsContact CZ-OE1 3.24Å; F255-Q267 WeakPolarHBondContact O-CA 3.35Å; V256-Q267 HydrophobicContact CG2-CB 3.6Å; V256-Q267 HydrophobicContact CG2-CG 3.83Å; Q267-W307 HydrophobicContact CG-CH2 4.44Å |
| 268 | L | 90.9 | Very high | 85.2 | Confident | 72 Ų | 72 | 71 Ų | 71 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155.6 | 171.6 | -69.7 | 178.4 | 0 | 0 | 0 | 111.1 | R254 F255 A280 N281 F282 | R254-L268 WeakPolarHBondContact CA-O 3.38Å; F255-L268 PolarHBondContact N-O 2.99Å; F255-L268 PolarHBondContact O-N 3.02Å; L268-A280 HydrophobicContact CB-CB 4.18Å; L268-N281 VanDerWaalsContact CD1-O 3.28Å; L268-N281 WeakPolarHBondContact CD1-O 3.19Å; L268-F282 HydrophobicContact CB-CE1 3.9Å; L268-F282 HydrophobicContact CB-CZ 4.03Å; L268-F282 HydrophobicContact CD1-CD1 3.45Å; L268-F282 VanDerWaalsContact CD1-CD1 3.45Å; L268-F282 HydrophobicContact CD1-CD2 4.37Å; L268-F282 HydrophobicContact CD1-CE1 3.59Å; L268-F282 HydrophobicContact CD1-CE2 4.49Å; L268-F282 HydrophobicContact CD1-CG 3.87Å; L268-F282 HydrophobicContact CD1-CZ 4.12Å; L268-F282 HydrophobicContact CG-CD1 3.86Å; L268-F282 HydrophobicContact CG-CE1 3.54Å; L268-F282 HydrophobicContact CG-CZ 4.16Å |
| 269 | A | 87.2 | Confident | 85.1 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 139.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | A271 | A269-A271 PolarHBondContact O-N 2.83Å |
| 270 | G | 83.8 | Confident | 85.1 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 121 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | N253 | N253-G270 PolarHBondContact O-N 2.96Š|
| 271 | A | 85.5 | Confident | 85.3 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 51% | 0.512 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 156.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | A269 P273 S278 Q279 | A269-A271 PolarHBondContact O-N 2.83Å; A271-P273 VanDerWaalsContact C-CD 3.5Å; A271-P273 VanDerWaalsContact O-CD 3.26Å; A271-P273 WeakPolarHBondContact O-CD 3.34Å; A271-S278 CarbonylContact O-C 3.55Å; A271-S278 WeakPolarHBondContact O-CA 3.35Å; A271-Q279 PolarHBondContact N-O 2.8Å; A271-Q279 PolarHBondContact O-N 2.89Å |
| 272 | Q | 81.5 | Confident | 85.7 | Confident | 138 Ų | 138 | 69.2 Ų | 69.2 | 65% | 0.645 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 81.7 | 171.7 | -169.9 | -178.5 | -23.5 | 0 | 0 | 109.3 | Q274 L277 | Q272-Q274 VanDerWaalsContact CG-O 3.25Å; Q272-Q274 WeakPolarHBondContact CG-O 3.33Å; Q272-Q274 PolarHBondContact NE2-O 3.03Å; Q272-Q274 PolarHBondContact O-N 2.86Å; Q272-L277 WeakPolarHBondContact CG-O 3.41Å |
| 273 | P | 70.2 | Confident | 86.1 | Confident | 79 Ų | 79 | 69.5 Ų | 69.5 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -19.5 | -177.2 | 29.1 | -36.6 | 0 | 0 | 0 | 113.4 | A271 L277 Q279 | A271-P273 VanDerWaalsContact C-CD 3.5Å; A271-P273 VanDerWaalsContact O-CD 3.26Å; A271-P273 WeakPolarHBondContact O-CD 3.34Å; P273-L277 WeakPolarHBondContact CD-O 3.29Å; P273-L277 HydrophobicContact CG-CD2 4.17Å; P273-Q279 HydrophobicContact CG-CB 4.11Å |
| 274 | Q | 74.8 | Confident | 86.7 | Confident | 132 Ų | 132 | 65 Ų | 65 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 156.2 | -177.6 | -64.2 | 180 | -6.8 | 0 | 0 | 111.1 | Q272 G276 L277 | Q272-Q274 VanDerWaalsContact CG-O 3.25Å; Q272-Q274 WeakPolarHBondContact CG-O 3.33Å; Q272-Q274 PolarHBondContact NE2-O 3.03Å; Q272-Q274 PolarHBondContact O-N 2.86Å; Q274-G276 PolarHBondContact O-N 2.84Å; Q274-L277 HydrophobicContact CB-CB 4.33Å; Q274-L277 PolarHBondContact O-N 2.04Å |
| 275 | A | 72.9 | Confident | 87 | Confident | 105 Ų | 105 | 61 Ų | 61 | 87% | 0.868 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 119.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L277 | A275-L277 VanDerWaalsContact C-N 3.34Å; A275-L277 PolarHBondContact O-N 2.84Å |
| 276 | G | 77.8 | Confident | 87.2 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -0.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | D249 Q274 | D249-G276 VanDerWaalsContact CA-O 3.3Å; D249-G276 WeakPolarHBondContact CA-O 3.47Å; Q274-G276 PolarHBondContact O-N 2.84Å |
| 277 | L | 87.3 | Confident | 87.3 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 29% | 0.293 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.2 | 176.4 | -172.5 | 145.6 | 0 | 0 | 0 | 111.7 | Q272 P273 Q274 A275 Q279 | Q272-L277 WeakPolarHBondContact CG-O 3.41Å; P273-L277 WeakPolarHBondContact CD-O 3.29Å; P273-L277 HydrophobicContact CG-CD2 4.17Å; Q274-L277 HydrophobicContact CB-CB 4.33Å; Q274-L277 PolarHBondContact O-N 2.04Å; A275-L277 VanDerWaalsContact C-N 3.34Å; A275-L277 PolarHBondContact O-N 2.84Å; L277-Q279 HydrophobicContact CD2-CB 4.18Å |
| 278 | S | 92.4 | Very high | 87.4 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.2 | 176.4 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | G247 S248 Y252 A271 | G247-S278 CarbonylContact C-O 3.56Å; G247-S278 WeakPolarHBondContact CA-O 3.46Å; S248-S278 PolarHBondContact N-O 2.95Å; S248-S278 PolarHBondContact O-N 2.9Å; S248-S278 PolarHBondContact O-OG 2.74Å; Y252-S278 PolarHBondContact N-OG 2.73Å; Y252-S278 WeakPolarHBondContact O-CB 3.32Å; Y252-S278 PolarHBondContact O-OG 2.73Å; A271-S278 CarbonylContact O-C 3.55Å; A271-S278 WeakPolarHBondContact O-CA 3.35Å |
| 279 | Q | 93.7 | Very high | 87.5 | Confident | 40 Ų | 40 | 61 Ų | 61 | 19% | 0.187 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.3 | -174.3 | 178.9 | 172.1 | -12.6 | 0 | 0 | 112.5 | C246 A271 P273 L277 N281 | C246-Q279 CarbonylContact O-C 3.53Å; C246-Q279 VanDerWaalsContact O-CA 3.25Å; C246-Q279 WeakPolarHBondContact O-CA 3.45Å; A271-Q279 PolarHBondContact N-O 2.8Å; A271-Q279 PolarHBondContact O-N 2.89Å; P273-Q279 HydrophobicContact CG-CB 4.11Å; L277-Q279 HydrophobicContact CD2-CB 4.18Å; Q279-N281 PolarHBondContact NE2-OD1 2.72Å |
| 280 | A | 94.9 | Very high | 87.7 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | C246 F255 L268 F282 | C246-A280 PolarHBondContact N-O 2.85Å; C246-A280 PolarHBondContact O-N 3.3Å; F255-A280 HydrophobicContact CB-CB 3.79Å; F255-A280 HydrophobicContact CD2-CB 3.67Å; F255-A280 HydrophobicContact CG-CB 3.98Å; L268-A280 HydrophobicContact CB-CB 4.18Å; A280-F282 HydrophobicContact CB-CE2 3.82Å; A280-F282 HydrophobicContact CB-CZ 4.2Å |
| 281 | N | 95.3 | Very high | 88.2 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.7 | -178.9 | -68.3 | -13 | 0 | 0 | 0 | 109.6 | T243 Q245 L268 Q279 | T243-N281 HydrophobicContact CG2-CB 3.93Å; Q245-N281 WeakPolarHBondContact CG-OD1 3.46Å; L268-N281 VanDerWaalsContact CD1-O 3.28Å; L268-N281 WeakPolarHBondContact CD1-O 3.19Å; Q279-N281 PolarHBondContact NE2-OD1 2.72Å |
| 282 | F | 95.2 | Very high | 88.6 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 93.8 | -179.7 | -60.5 | -95.3 | 0 | 0 | 0 | 109.1 | T243 L244 C246 F255 L257 L266 L268 A280 | T243-F282 WeakPolarHBondContact CA-O 3.06Å; L244-F282 HydrophobicContact CB-CB 4.23Å; L244-F282 PolarHBondContact N-O 2.93Å; L244-F282 PolarHBondContact O-N 3.26Å; C246-F282 HydrophobicContact CB-CE2 4.16Å; F255-F282 HydrophobicContact CB-CE2 4.33Å; F255-F282 HydrophobicContact CB-CZ 4.14Å; L257-F282 HydrophobicContact CB-CD1 3.76Å; L257-F282 HydrophobicContact CB-CD2 4.01Å; L257-F282 HydrophobicContact CB-CE1 3.74Å; L257-F282 HydrophobicContact CB-CE2 3.99Å; L257-F282 HydrophobicContact CB-CG 3.9Å; L257-F282 HydrophobicContact CB-CZ 3.86Å; L257-F282 HydrophobicContact CD2-CB 3.69Å; L257-F282 HydrophobicContact CD2-CD1 4.15Å; L257-F282 HydrophobicContact CD2-CD2 4.33Å; L257-F282 HydrophobicContact CD2-CG 3.82Å; L257-F282 HydrophobicContact CG-CG 4.46Å; L266-F282 HydrophobicContact CB-CD1 3.97Å; L266-F282 HydrophobicContact CB-CE1 4.03Å; L266-F282 VanDerWaalsContact O-CE1 3.27Å; L266-F282 WeakPolarHBondContact O-CE1 3Å; L268-F282 HydrophobicContact CB-CE1 3.9Å; L268-F282 HydrophobicContact CB-CZ 4.03Å; L268-F282 HydrophobicContact CD1-CD1 3.45Å; L268-F282 VanDerWaalsContact CD1-CD1 3.45Å; L268-F282 HydrophobicContact CD1-CD2 4.37Å; L268-F282 HydrophobicContact CD1-CE1 3.59Å; L268-F282 HydrophobicContact CD1-CE2 4.49Å; L268-F282 HydrophobicContact CD1-CG 3.87Å; L268-F282 HydrophobicContact CD1-CZ 4.12Å; L268-F282 HydrophobicContact CG-CD1 3.86Å; L268-F282 HydrophobicContact CG-CE1 3.54Å; L268-F282 HydrophobicContact CG-CZ 4.16Å; A280-F282 HydrophobicContact CB-CE2 3.82Å; A280-F282 HydrophobicContact CB-CZ 4.2Å |
| 283 | T | 94.6 | Very high | 89.3 | Confident | 91 Ų | 91 | 53.8 Ų | 53.8 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.5 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | T241 L242 T243 | T241-T283 HydrophobicContact CG2-CG2 3.48Å; T241-T283 VanDerWaalsContact CG2-CG2 3.48Å; L242-T283 WeakPolarHBondContact O-CA 3.2Å; T243-T283 PolarHBondContact OG1-OG1 3.31Å |
| 284 | L | 91.7 | Very high | 90.5 | Very high | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.7 | -176 | -63.3 | -173.1 | 0 | 0 | 0 | 109.6 | T241 L242 L244 L257 L266 Y291 Y295 | T241-L284 WeakPolarHBondContact CA-O 3.42Å; L242-L284 HydrophobicContact CD1-CB 3.99Å; L242-L284 HydrophobicContact CD1-CD1 4.22Å; L242-L284 HydrophobicContact CD1-CG 4.36Å; L242-L284 HydrophobicContact CG-CB 4.16Å; L242-L284 PolarHBondContact N-O 3.47Å; L242-L284 PolarHBondContact O-N 3.28Å; L244-L284 HydrophobicContact CD1-CD1 3.83Å; L257-L284 HydrophobicContact CD2-CD1 4.44Å; L266-L284 HydrophobicContact CD1-CD2 3.78Å; L284-Y291 HydrophobicContact CB-CD1 4.13Å; L284-Y291 HydrophobicContact CB-CE1 3.82Å; L284-Y291 HydrophobicContact CD1-CD1 4.08Å; L284-Y291 HydrophobicContact CD1-CE1 4.21Å; L284-Y291 HydrophobicContact CD2-CE1 4.32Å; L284-Y291 HydrophobicContact CG-CE1 4.34Å; L284-Y295 HydrophobicContact CD1-CE1 4.11Å |
| 285 | G | 88.8 | Confident | 91.5 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | trans | 179.5 | 162.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 286 | P | 92.1 | Very high | 92.7 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 53% | 0.532 | 25% | 0.251 | S | S | . | . | S | Bend | cis | -63.8 | 137.5 | -8.8 | 26.9 | -33.7 | 0 | 0 | 0 | 111.5 | ||
| 287 | V | 92.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -74.6 | 136 | -173.5 | 167.3 | 0 | 0 | 0 | 0 | 110.3 | V236 P238 E239 E240 L242 I318 | V236-V287 HydrophobicContact CG1-CB 4.23Å; V236-V287 HydrophobicContact CG1-CG1 4.09Å; V236-V287 HydrophobicContact CG1-CG2 4.07Å; P238-V287 VanDerWaalsContact CA-O 3.31Å; P238-V287 WeakPolarHBondContact CA-O 3.28Å; E239-V287 PolarHBondContact N-O 2.83Å; E240-V287 WeakPolarHBondContact O-CB 3.39Å; E240-V287 WeakPolarHBondContact O-CG2 3.31Å; E240-V287 PolarHBondContact O-N 3.39Å; L242-V287 HydrophobicContact CD2-CG2 3.98Å; L242-V287 HydrophobicContact CG-CG2 4.22Å; V287-I318 HydrophobicContact CG1-CD1 3.68Å | ||
| 288 | S | 93.2 | Very high | 93.9 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | trans | -132.9 | 173.4 | 179.4 | 88.5 | 0 | 0 | 0 | 0 | 111.5 | S290 Y291 | S288-S290 PolarHBondContact O-N 3.04Å; S288-S290 PolarHBondContact OG-OG 2.82Å; S288-S290 VanDerWaalsContact OG-OG 3.11Å; S288-Y291 VanDerWaalsContact N-CD2 3.3Å; S288-Y291 WeakPolarHBondContact O-CB 3.42Å; S288-Y291 WeakPolarHBondContact O-CD2 3.43Å; S288-Y291 PolarHBondContact O-N 2.05Å | ||
| 289 | R | 92.4 | Very high | 94 | Very high | 146 Ų | 146 | 38.7 Ų | 38.7 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -55.4 | -24 | -177.4 | -171.8 | 174.2 | 174.7 | -133.1 | -15.3 | 114.7 | Q321 L407 | R289-Q321 VanDerWaalsContact CD-OE1 3.32Å; R289-Q321 VanDerWaalsContact CG-OE1 3.28Å; R289-L407 HydrophobicContact CG-CD1 3.98Å; R289-L407 HydrophobicContact CG-CD2 3.94Å |
| 290 | S | 91.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 36.9 Ų | 36.9 | 55% | 0.545 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -77.5 | -16.6 | 178 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | K259 S288 G292 | K259-S290 VanDerWaalsContact CE-O 3.26Å; K259-S290 WeakPolarHBondContact CE-O 3.22Å; S288-S290 PolarHBondContact O-N 3.04Å; S288-S290 PolarHBondContact OG-OG 2.82Å; S288-S290 VanDerWaalsContact OG-OG 3.11Å; S290-G292 VanDerWaalsContact C-N 3.27Å; S290-G292 PolarHBondContact O-N 2.86Å |
| 291 | Y | 93.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 25% | 0.247 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -77 | -12.3 | 177.7 | -70.2 | -100.5 | 0 | 0 | 0 | 112.8 | L284 S288 G293 Y295 | L284-Y291 HydrophobicContact CB-CD1 4.13Å; L284-Y291 HydrophobicContact CB-CE1 3.82Å; L284-Y291 HydrophobicContact CD1-CD1 4.08Å; L284-Y291 HydrophobicContact CD1-CE1 4.21Å; L284-Y291 HydrophobicContact CD2-CE1 4.32Å; L284-Y291 HydrophobicContact CG-CE1 4.34Å; S288-Y291 VanDerWaalsContact N-CD2 3.3Å; S288-Y291 WeakPolarHBondContact O-CB 3.42Å; S288-Y291 WeakPolarHBondContact O-CD2 3.43Å; S288-Y291 PolarHBondContact O-N 2.05Å; Y291-G293 PolarHBondContact O-N 2.87Å; Y291-Y295 WeakPolarHBondContact O-CE2 3.41Å; Y291-Y295 PolarHBondContact O-OH 2.83Å |
| 292 | G | 94.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | trans | -66.6 | 122.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K259 S290 I316 | K259-G292 WeakPolarHBondContact CE-O 3.36Å; S290-G292 VanDerWaalsContact C-N 3.27Å; S290-G292 PolarHBondContact O-N 2.86Å; G292-I316 WeakPolarHBondContact CA-O 3.11Å | ||
| 293 | G | 95.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 175.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y291 Y295 I316 | Y291-G293 PolarHBondContact O-N 2.87Å; G293-Y295 WeakPolarHBondContact O-CD2 3.49Å; G293-I316 PolarHBondContact N-O 2.89Å; G293-I316 VanDerWaalsContact N-O 3.08Å; G293-I316 PolarHBondContact O-N 3.3Å |
| 294 | Q | 95.7 | Very high | 91.5 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.1 | 174.3 | -173.3 | 159.5 | 108 | 0 | 0 | 110.2 | K259 D260 P313 D315 Y406 | K259-Q294 WeakPolarHBondContact CA-O 3.12Å; D260-Q294 HydrophobicContact CB-CB 4.44Å; D260-Q294 PolarHBondContact N-O 2.96Å; Q294-P313 VanDerWaalsContact CD-CB 3.42Å; Q294-P313 HydrophobicContact CG-CB 3.55Å; Q294-D315 WeakPolarHBondContact CB-OD1 3.4Å; Q294-D315 WeakPolarHBondContact CG-OD1 3.49Å; Q294-D315 PolarHBondContact NE2-OD1 3.2Å; Q294-Y406 HydrophobicContact CB-CE1 4.24Å |
| 295 | Y | 96.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.1 | -179.1 | -73 | -102.8 | 0 | 0 | 0 | 111.5 | L244 L257 Y258 K259 L284 Y291 G293 P313 L314 I316 | L244-Y295 HydrophobicContact CD1-CD1 3.87Å; L244-Y295 HydrophobicContact CD1-CE1 4Å; L244-Y295 HydrophobicContact CD1-CG 4.2Å; L257-Y295 HydrophobicContact CD1-CD1 3.95Å; L257-Y295 HydrophobicContact CD2-CD1 4.05Å; L257-Y295 HydrophobicContact CD2-CE1 4.27Å; L257-Y295 HydrophobicContact CG-CD1 3.96Å; Y258-Y295 WeakPolarHBondContact O-CA 3.36Å; K259-Y295 HydrophobicContact CB-CD1 3.94Å; K259-Y295 HydrophobicContact CB-CE1 3.78Å; K259-Y295 HydrophobicContact CB-CE2 4.48Å; K259-Y295 HydrophobicContact CB-CG 4.41Å; K259-Y295 HydrophobicContact CD-CE1 4.34Å; K259-Y295 HydrophobicContact CD-CE2 4.11Å; K259-Y295 HydrophobicContact CG-CE1 4.31Å; K259-Y295 HydrophobicContact CG-CE2 4.17Å; L284-Y295 HydrophobicContact CD1-CE1 4.11Å; Y291-Y295 WeakPolarHBondContact O-CE2 3.41Å; Y291-Y295 PolarHBondContact O-OH 2.83Å; G293-Y295 WeakPolarHBondContact O-CD2 3.49Å; Y295-P313 WeakPolarHBondContact O-CA 3.39Å; Y295-L314 PolarHBondContact N-O 2.93Å; Y295-L314 PolarHBondContact O-N 2.77Å; Y295-I316 HydrophobicContact CD2-CB 4.11Å; Y295-I316 HydrophobicContact CD2-CG1 3.63Å; Y295-I316 HydrophobicContact CE2-CB 3.84Å; Y295-I316 HydrophobicContact CE2-CG1 3.68Å |
| 296 | R | 96.6 | Very high | 91.1 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 18% | 0.177 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 148.9 | 172 | -72 | 177.2 | 178 | 78 | 5.9 | 110.6 | Y258 D260 Y298 P310 P313 | Y258-R296 PolarHBondContact N-O 2.98Å; Y258-R296 PolarHBondContact O-N 3.26Å; D260-R296 IonicContact OD1-CZ 2.73Å; D260-R296 IonicContact OD1-NH1 3.07Å; D260-R296 PolarHBondContact OD1-NH1 2.86Å; D260-R296 IonicContact OD2-CZ 3.39Å; D260-R296 IonicContact OD2-NH1 3.87Å; D260-R296 PolarHBondContact OD2-NH1 3.38Å; R296-Y298 HydrophobicContact CB-CE2 3.9Å; R296-P310 HydrophobicContact CB-CB 4.49Å; R296-P310 HydrophobicContact CG-CB 4.5Å; R296-P313 HydrophobicContact CG-CB 4.49Å |
| 297 | C | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 151.5 | 172.5 | -172.7 | 0 | 0 | 0 | 0 | 112.8 | P226 L228 C246 V256 S311 | P226-C297 HydrophobicContact CG-CB 4.23Å; P226-C297 WeakPolarHBondContact CG-O 3.45Å; L228-C297 HydrophobicContact CB-CB 4.36Å; L228-C297 HydrophobicContact CD1-CB 4.18Å; L228-C297 HydrophobicContact CD2-CB 4.39Å; C246-C297 HydrophobicContact CB-CB 3.76Å; C246-C297 WeakPolarHBondContact CB-SG 3.49Å; C246-C297 WeakPolarHBondContact SG-CB 3.44Å; C246-C297 CovalentContact SG-SG 2.01Å; C246-C297 PolarHBondContact SG-SG 2.86Å; V256-C297 CarbonylContact O-C 3.51Å; V256-C297 VanDerWaalsContact O-CA 3.24Å; V256-C297 WeakPolarHBondContact O-CA 3.41Å; V256-C297 PolarHBondContact O-SG 2.94Å; C297-S311 PolarHBondContact N-OG 3.38Å; C297-S311 PolarHBondContact O-N 3.44Å |
| 298 | Y | 95.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.9 | -179.9 | -52 | -92.6 | 0 | 0 | 0 | 109.1 | V134 L218 L220 F255 V256 R296 P310 | V134-Y298 HydrophobicContact CG1-CE1 4.16Å; L218-Y298 HydrophobicContact CD1-CD2 4.25Å; L218-Y298 HydrophobicContact CD1-CG 4.38Å; L218-Y298 HydrophobicContact CD2-CD1 3.96Å; L218-Y298 HydrophobicContact CD2-CD2 4.4Å; L218-Y298 HydrophobicContact CD2-CE1 4.37Å; L218-Y298 HydrophobicContact CD2-CG 3.97Å; L220-Y298 HydrophobicContact CD1-CE1 4.34Å; L220-Y298 HydrophobicContact CD2-CD1 3.34Å; L220-Y298 HydrophobicContact CD2-CE1 3.31Å; L220-Y298 HydrophobicContact CD2-CG 4.44Å; L220-Y298 HydrophobicContact CG-CE1 4.45Å; F255-Y298 CarbonylContact C-O 3.51Å; F255-Y298 VanDerWaalsContact CA-O 3.26Å; F255-Y298 WeakPolarHBondContact CA-O 3.26Å; V256-Y298 HydrophobicContact CG1-CD2 4.27Å; V256-Y298 PolarHBondContact N-O 3.45Å; V256-Y298 PolarHBondContact O-N 2.92Å; R296-Y298 HydrophobicContact CB-CE2 3.9Å; Y298-P310 HydrophobicContact CD1-CB 4.26Å; Y298-P310 HydrophobicContact CE1-CB 3.49Å; Y298-P310 VanDerWaalsContact CE1-CB 3.49Å; Y298-P310 HydrophobicContact CE1-CG 4.28Å |
| 299 | G | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S308 | G299-S308 PolarHBondContact N-OG 3.33Å; G299-S308 WeakPolarHBondContact O-CB 3.32Å; G299-S308 PolarHBondContact O-N 2.97Å |
| 300 | A | 92.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 166.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N253 R254 E306 W307 | N253-A300 PolarHBondContact N-O 3.23Å; R254-A300 HydrophobicContact CG-CB 3.83Å; R254-A300 PolarHBondContact N-O 3.33Å; R254-A300 PolarHBondContact O-N 3.47Å; A300-E306 WeakPolarHBondContact CB-O 3.32Å; A300-W307 HydrophobicContact CB-CD2 3.88Å; A300-W307 HydrophobicContact CB-CE3 3.54Å; A300-W307 HydrophobicContact CB-CG 4.45Å; A300-W307 HydrophobicContact CB-CH2 4.45Å; A300-W307 HydrophobicContact CB-CZ3 3.83Å |
| 301 | H | 88.8 | Confident | 91.6 | Very high | 76 Ų | 76 | 35.6 Ų | 35.6 | 35% | 0.352 | 19% | 0.188 | S | C | . | . | trans | -94.7 | 154.9 | 171.4 | -52.5 | -74 | 0 | 0 | 0 | 110.6 | A250 G251 Y252 N253 L303 S304 | A250-H301 PolarHBondContact O-CE1 2.92Å; G251-H301 PolarHBondContact O-CE1 3.39Å; G251-H301 PolarHBondContact O-ND1 3.12Å; Y252-H301 AromaticContact CD1-CE1 3.58Å; Y252-H301 AromaticContact CD1-NE2 3.61Å; Y252-H301 AromaticContact CE1-CE1 3.96Å; Y252-H301 AromaticContact CE1-NE2 3.58Å; N253-H301 WeakPolarHBondContact OD1-CA 3.41Å; N253-H301 WeakPolarHBondContact OD1-CB 3.47Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 3.06Å; H301-L303 VanDerWaalsContact O-N 3.14Å; H301-S304 WeakPolarHBondContact O-CB 3.42Å; H301-S304 PolarHBondContact O-N 2.91Å | ||
| 302 | N | 83.1 | Confident | 91.7 | Very high | 99 Ų | 99 | 37.4 Ų | 37.4 | 53% | 0.529 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -35.9 | -168.4 | -82.7 | -7.8 | 0 | 0 | 0 | 115.5 | N253 | N253-N302 HydrophobicContact CB-CB 4.44Å; N253-N302 WeakPolarHBondContact CB-OD1 3.38Å; N253-N302 PolarHBondContact OD1-N 2.91Å |
| 303 | L | 76 | Confident | 91.8 | Very high | 180 Ų | 180 | 39.9 Ų | 39.9 | 94% | 0.942 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -3.9 | 179.7 | -58.6 | 178.7 | 0 | 0 | 0 | 113.2 | H301 | H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 3.06Å; H301-L303 VanDerWaalsContact O-N 3.14Å |
| 304 | S | 81.4 | Confident | 91.8 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 22% | 0.217 | 22% | 0.22 | C | C | . | . | trans | -86.2 | 137.5 | -179.2 | -170.2 | 0 | 0 | 0 | 0 | 111.3 | H301 E306 | H301-S304 WeakPolarHBondContact O-CB 3.42Å; H301-S304 PolarHBondContact O-N 2.91Å; S304-E306 WeakPolarHBondContact OG-CA 3.36Å; S304-E306 WeakPolarHBondContact OG-CB 3.37Å; S304-E306 PolarHBondContact OG-N 2.98Å; S304-E306 PolarHBondContact OG-O 2.86Å | ||
| 305 | S | 82.4 | Confident | 91.7 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | trans | -103.8 | 6.7 | 157.2 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | P189 R191 R192 | P189-S305 CarbonylContact O-C 3.57Å; P189-S305 VanDerWaalsContact O-CB 3.31Å; P189-S305 WeakPolarHBondContact O-CB 3.29Å; R191-S305 WeakPolarHBondContact O-CB 3.43Å; R192-S305 VanDerWaalsContact CG-OG 3.3Å; R192-S305 WeakPolarHBondContact CG-OG 3.5Å | ||
| 306 | E | 88.8 | Confident | 91.7 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 33% | 0.327 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -85 | 130.6 | 161.6 | -157.9 | 174.5 | 146.4 | 0 | 0 | 110.1 | P189 G221 V222 A300 S304 | P189-E306 HydrophobicContact CB-CB 3.57Å; P189-E306 HydrophobicContact CB-CG 3.8Å; P189-E306 HydrophobicContact CG-CB 4.37Å; P189-E306 HydrophobicContact CG-CG 4.2Å; G221-E306 VanDerWaalsContact CA-OE1 3.26Å; G221-E306 WeakPolarHBondContact CA-OE1 3.49Å; V222-E306 PolarHBondContact N-OE1 2.88Å; V222-E306 VanDerWaalsContact N-OE1 3.16Å; A300-E306 WeakPolarHBondContact CB-O 3.32Å; S304-E306 WeakPolarHBondContact OG-CA 3.36Å; S304-E306 WeakPolarHBondContact OG-CB 3.37Å; S304-E306 PolarHBondContact OG-N 2.98Å; S304-E306 PolarHBondContact OG-O 2.86Å |
| 307 | W | 93.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -102.5 | 156.7 | 170.8 | -68.9 | 90.4 | 0 | 0 | 0 | 111.8 | L218 V219 L220 G221 R254 V256 Q267 A300 | L218-W307 HydrophobicContact CD1-CD2 4.14Å; L218-W307 HydrophobicContact CD1-CG 4.42Å; L218-W307 HydrophobicContact CD1-CZ2 4.3Å; L218-W307 HydrophobicContact CD2-CB 3.82Å; L218-W307 HydrophobicContact CD2-CD2 4.22Å; L218-W307 HydrophobicContact CD2-CG 3.7Å; L218-W307 HydrophobicContact CG-CB 4.46Å; L218-W307 HydrophobicContact CG-CD2 4Å; L218-W307 HydrophobicContact CG-CG 3.79Å; V219-W307 PolarHBondContact O-N 2.94Å; V219-W307 VanDerWaalsContact O-N 3.08Å; L220-W307 HydrophobicContact CD2-CB 4.44Å; G221-W307 WeakPolarHBondContact CA-O 3.47Å; G221-W307 PolarHBondContact N-O 2.67Å; R254-W307 HydrophobicContact CG-CH2 3.95Å; R254-W307 HydrophobicContact CG-CZ3 4.15Å; R254-W307 VanDerWaalsContact NH2-CE2 3.28Å; V256-W307 HydrophobicContact CB-CH2 3.84Å; V256-W307 HydrophobicContact CB-CZ2 4.4Å; V256-W307 HydrophobicContact CB-CZ3 3.95Å; V256-W307 HydrophobicContact CG2-CH2 3.28Å; V256-W307 HydrophobicContact CG2-CZ2 3.7Å; V256-W307 HydrophobicContact CG2-CZ3 3.93Å; Q267-W307 HydrophobicContact CG-CH2 4.44Å; A300-W307 HydrophobicContact CB-CD2 3.88Å; A300-W307 HydrophobicContact CB-CE3 3.54Å; A300-W307 HydrophobicContact CB-CG 4.45Å; A300-W307 HydrophobicContact CB-CH2 4.45Å; A300-W307 HydrophobicContact CB-CZ3 3.83Å |
| 308 | S | 94.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 166.7 | 172.9 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | P226 G299 | P226-S308 WeakPolarHBondContact CD-OG 3.42Å; G299-S308 PolarHBondContact N-OG 3.33Å; G299-S308 WeakPolarHBondContact O-CB 3.32Å; G299-S308 PolarHBondContact O-N 2.97Å |
| 309 | A | 94.4 | Very high | 91.6 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -54.5 | 149.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S223 K225 P226 | S223-A309 PolarHBondContact O-N 2.8Å; K225-A309 WeakPolarHBondContact CA-O 3.35Å; K225-A309 HydrophobicContact CB-CB 4.15Å; P226-A309 WeakPolarHBondContact CD-O 3.22Å |
| 310 | P | 95.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 29% | 0.286 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 147.4 | 174.7 | 23.4 | -33.1 | 0 | 0 | 0 | 112 | K225 R296 Y298 | K225-P310 WeakPolarHBondContact CB-O 3.3Å; R296-P310 HydrophobicContact CB-CB 4.49Å; R296-P310 HydrophobicContact CG-CB 4.5Å; Y298-P310 HydrophobicContact CD1-CB 4.26Å; Y298-P310 HydrophobicContact CE1-CB 3.49Å; Y298-P310 VanDerWaalsContact CE1-CB 3.49Å; Y298-P310 HydrophobicContact CE1-CG 4.28Å |
| 311 | S | 96.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 165.2 | 159.1 | 72 | 0 | 0 | 0 | 0 | 111.3 | P226 C297 | P226-S311 WeakPolarHBondContact O-CA 3.24Å; P226-S311 VanDerWaalsContact O-CB 3.22Å; P226-S311 WeakPolarHBondContact O-CB 3.48Å; C297-S311 PolarHBondContact N-OG 3.38Å; C297-S311 PolarHBondContact O-N 3.44Å |
| 312 | D | 95.1 | Very high | 92 | Very high | 102 Ų | 102 | 38.2 Ų | 38.2 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 146.3 | 159.9 | -62.9 | -45.5 | 0 | 0 | 0 | 109.6 | K225 | K225-D312 WeakPolarHBondContact CE-OD2 3.49Å; K225-D312 IonicContact NZ-OD1 3.17Å; K225-D312 PolarHBondContact NZ-OD1 3.17Å; K225-D312 IonicContact NZ-OD2 3.88Å; K225-D312 PolarHBondContact NZ-OD2 2.98Å |
| 313 | P | 95.8 | Very high | 92.4 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 40% | 0.403 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -70 | 144.7 | -178.7 | 27.1 | -32.8 | 0 | 0 | 0 | 111.6 | Q294 Y295 R296 | Q294-P313 VanDerWaalsContact CD-CB 3.42Å; Q294-P313 HydrophobicContact CG-CB 3.55Å; Y295-P313 WeakPolarHBondContact O-CA 3.39Å; R296-P313 HydrophobicContact CG-CB 4.49Å |
| 314 | L | 95.2 | Very high | 93.3 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.3 | 174.2 | -173.7 | 60.5 | 0 | 0 | 0 | 110 | L228 V230 L244 Y295 | L228-L314 HydrophobicContact CD2-CB 3.97Å; L228-L314 HydrophobicContact CD2-CD2 4.44Å; L228-L314 HydrophobicContact CG-CB 4.29Å; L228-L314 HydrophobicContact CG-CD2 4.01Å; V230-L314 HydrophobicContact CB-CD2 3.96Å; V230-L314 HydrophobicContact CG1-CD2 3.96Å; L244-L314 HydrophobicContact CD2-CD2 3.65Å; Y295-L314 PolarHBondContact N-O 2.93Å; Y295-L314 PolarHBondContact O-N 2.77Å |
| 315 | D | 94.7 | Very high | 93.9 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 115.5 | 178.9 | -84.9 | 12.7 | 0 | 0 | 0 | 110.4 | Q294 L317 | Q294-D315 WeakPolarHBondContact CB-OD1 3.4Å; Q294-D315 WeakPolarHBondContact CG-OD1 3.49Å; Q294-D315 PolarHBondContact NE2-OD1 3.2Å; D315-L317 HydrophobicContact CB-CD2 4.29Å |
| 316 | I | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.9 | 169.6 | -61.1 | -57.5 | 0 | 0 | 0 | 109.4 | V230 L242 L244 G292 G293 Y295 I318 | V230-I316 HydrophobicContact CB-CD1 4.33Å; V230-I316 HydrophobicContact CG1-CD1 4.4Å; V230-I316 HydrophobicContact CG2-CD1 4Å; L242-I316 HydrophobicContact CD2-CG2 3.86Å; L244-I316 HydrophobicContact CD2-CD1 4.31Å; G292-I316 WeakPolarHBondContact CA-O 3.11Å; G293-I316 PolarHBondContact N-O 2.89Å; G293-I316 VanDerWaalsContact N-O 3.08Å; G293-I316 PolarHBondContact O-N 3.3Å; Y295-I316 HydrophobicContact CD2-CB 4.11Å; Y295-I316 HydrophobicContact CD2-CG1 3.63Å; Y295-I316 HydrophobicContact CE2-CB 3.84Å; Y295-I316 HydrophobicContact CE2-CG1 3.68Å; I316-I318 HydrophobicContact CG2-CD1 4.15Å |
| 317 | L | 95.4 | Very high | 95 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123.3 | -170.6 | -53.5 | 179.4 | 0 | 0 | 0 | 111 | P234 I235 V236 D315 L356 Y406 L408 | P234-L317 PolarHBondContact O-N 2.92Å; I235-L317 WeakPolarHBondContact CA-O 3.28Å; I235-L317 HydrophobicContact CG1-CB 4.22Å; I235-L317 HydrophobicContact CG1-CD1 4.2Å; V236-L317 PolarHBondContact N-O 3Å; D315-L317 HydrophobicContact CB-CD2 4.29Å; L317-L356 HydrophobicContact CD1-CD2 3.42Å; L317-L356 VanDerWaalsContact CD1-CD2 3.42Å; L317-Y406 WeakPolarHBondContact CA-O 3.37Å; L317-Y406 HydrophobicContact CD2-CD1 4.13Å; L317-L408 HydrophobicContact CB-CD1 3.74Å; L317-L408 HydrophobicContact CB-CG 4.15Å; L317-L408 HydrophobicContact CD1-CD1 4.15Å |
| 318 | I | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.3 | -175.3 | -46 | -55.5 | 0 | 0 | 0 | 110.6 | V236 P238 V287 I316 Q321 Y406 L407 L408 | V236-I318 WeakPolarHBondContact O-CA 3.49Å; P238-I318 HydrophobicContact CG-CG2 4.38Å; V287-I318 HydrophobicContact CG1-CD1 3.68Å; I316-I318 HydrophobicContact CG2-CD1 4.15Å; I318-Q321 HydrophobicContact CB-CG 4.08Å; I318-Q321 HydrophobicContact CG2-CG 3.93Å; I318-Q321 VanDerWaalsContact O-CG 3.25Å; I318-Q321 WeakPolarHBondContact O-CG 3.44Å; I318-Y406 PolarHBondContact N-O 3.07Å; I318-L407 HydrophobicContact CB-CD2 4Å; I318-L407 HydrophobicContact CG1-CD2 4.17Å; I318-L408 PolarHBondContact O-N 2.89Å |
| 319 | A | 95.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 46 Ų | 46 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -80 | 163.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I235 V236 P238 Q321 Y398 | I235-A319 HydrophobicContact CG2-CB 4.25Å; V236-A319 PolarHBondContact O-N 2.98Å; P238-A319 WeakPolarHBondContact CD-O 3.42Å; A319-Q321 VanDerWaalsContact C-N 3.35Å; A319-Q321 WeakPolarHBondContact O-CG 3.33Å; A319-Q321 PolarHBondContact O-N 3.29Å; A319-Q321 PolarHBondContact O-NE2 2.87Å; A319-Y398 HydrophobicContact CB-CE1 4.16Å |
| 320 | G | 94.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 69.3 | 25.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L408 T409 | G320-L408 PolarHBondContact N-O 3.01Å; G320-T409 PolarHBondContact N-O 3.22Å |
| 321 | Q | 95.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | trans | -98.4 | 2.4 | -172.8 | -56.8 | -60.1 | -63.7 | 0 | 0 | 114.1 | R289 I318 A319 L407 L408 | R289-Q321 VanDerWaalsContact CD-OE1 3.32Å; R289-Q321 VanDerWaalsContact CG-OE1 3.28Å; I318-Q321 HydrophobicContact CB-CG 4.08Å; I318-Q321 HydrophobicContact CG2-CG 3.93Å; I318-Q321 VanDerWaalsContact O-CG 3.25Å; I318-Q321 WeakPolarHBondContact O-CG 3.44Å; A319-Q321 VanDerWaalsContact C-N 3.35Å; A319-Q321 WeakPolarHBondContact O-CG 3.33Å; A319-Q321 PolarHBondContact O-N 3.29Å; A319-Q321 PolarHBondContact O-NE2 2.87Å; Q321-L407 HydrophobicContact CB-CB 3.84Å; Q321-L407 HydrophobicContact CB-CD1 4.35Å; Q321-L407 HydrophobicContact CG-CB 4.05Å; Q321-L407 HydrophobicContact CG-CD2 4.13Å; Q321-L407 HydrophobicContact CG-CG 4.47Å; Q321-L408 WeakPolarHBondContact CB-O 3.48Å; Q321-L408 PolarHBondContact N-O 2.87Å | ||
| 322 | F | 93.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -136 | 147.7 | 174.8 | -58 | -89.6 | 0 | 0 | 0 | 109.6 | D324 Q401 K404 L407 T409 | F322-D324 VanDerWaalsContact C-N 3.31Å; F322-Q401 HydrophobicContact CE1-CB 4.36Å; F322-Q401 VanDerWaalsContact CE1-CD 3.47Å; F322-Q401 HydrophobicContact CE1-CG 4.03Å; F322-Q401 VanDerWaalsContact CE1-OE1 3.24Å; F322-Q401 HydrophobicContact CZ-CB 4.12Å; F322-Q401 HydrophobicContact CZ-CG 4.08Å; F322-K404 HydrophobicContact CE1-CD 3.66Å; F322-K404 HydrophobicContact CZ-CB 4.02Å; F322-K404 HydrophobicContact CZ-CD 3.69Å; F322-L407 HydrophobicContact CE2-CB 4.13Å; F322-T409 HydrophobicContact CB-CG2 4.22Å; F322-T409 HydrophobicContact CD2-CG2 4.44Å |
| 323 | Y | 91.8 | Very high | 95.2 | Very high | 228 Ų | 228 | 49.6 Ų | 49.6 | 89% | 0.894 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -69.3 | -30.1 | 178.3 | -61.4 | -69.2 | 0 | 0 | 0 | 113 | ||
| 324 | D | 93.1 | Very high | 95.1 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | trans | -58.4 | 136.4 | 179.9 | -58.3 | -76 | 0 | 0 | 0 | 112 | F322 G350 M352 T409 | F322-D324 VanDerWaalsContact C-N 3.31Å; D324-G350 WeakPolarHBondContact OD1-CA 3.45Å; D324-M352 HydrophobicContact CB-CE 3.43Å; D324-M352 VanDerWaalsContact CB-CE 3.43Å; D324-M352 WeakPolarHBondContact OD2-CE 3.39Å; D324-T409 HydrophobicContact CB-CG2 4.44Å | ||
| 325 | R | 94.7 | Very high | 95.2 | Very high | 157 Ų | 157 | 53.5 Ų | 53.5 | 59% | 0.592 | 28% | 0.284 | S | S | * | . | trans | -105 | 140.5 | 175.1 | -65.6 | -65.7 | 176.8 | 138.8 | -5.1 | 110.1 | H410 | R325-H410 VanDerWaalsContact CZ-CD2 3.43Å; R325-H410 VanDerWaalsContact CZ-CG 3.4Å; R325-H410 PolarHBondContact NH2-CD2 2.92Å; R325-H410 VanDerWaalsContact NH2-CD2 3.25Å; R325-H410 PolarHBondContact NH2-NE2 2.9Å | ||
| 326 | V | 97.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.5 | 175.6 | -59 | 0 | 0 | 0 | 0 | 109.7 | Q347 F355 C397 T409 S412 | V326-Q347 CarbonylContact C-O 3.58Å; V326-Q347 WeakPolarHBondContact CA-O 3.4Å; V326-F355 HydrophobicContact CG1-CD1 4.34Å; V326-F355 HydrophobicContact CG1-CE1 3.84Å; V326-C397 WeakPolarHBondContact CG2-O 3.25Å; V326-T409 HydrophobicContact CG1-CG2 4.14Å; V326-S412 WeakPolarHBondContact O-CA 3.48Å |
| 327 | S | 97 | Very high | 95.1 | Very high | 54 Ų | 54 | 53.6 Ų | 53.6 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.2 | 170.5 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | C346 Q347 | S327-C346 WeakPolarHBondContact O-CA 3.24Å; S327-Q347 PolarHBondContact N-O 2.94Å; S327-Q347 PolarHBondContact O-N 2.97Å; S327-Q347 WeakPolarHBondContact OG-CG 3.36Å |
| 328 | L | 98 | Very high | 95 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.131 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.7 | -178.7 | -177.2 | 57.9 | 0 | 0 | 0 | 108.7 | L344 L345 C346 L357 C397 L415 | L328-L344 HydrophobicContact CD1-CB 4.21Å; L328-L344 HydrophobicContact CD1-CD2 4.23Å; L328-L344 HydrophobicContact CG-CD2 4.45Å; L328-L345 WeakPolarHBondContact CA-O 3.44Å; L328-C346 HydrophobicContact CD1-CB 4.47Å; L328-L357 HydrophobicContact CD1-CD1 4.11Å; L328-L357 HydrophobicContact CD2-CD1 4.08Å; L328-C397 HydrophobicContact CD1-CB 4.15Å; L328-C397 HydrophobicContact CD2-CB 4.45Å; L328-L415 HydrophobicContact CD2-CB 3.89Å; L328-L415 HydrophobicContact CG-CB 4.18Å; L328-L415 HydrophobicContact CG-CD1 4.01Å |
| 329 | S | 97.2 | Very high | 94.9 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 170.3 | 171.3 | 64.7 | 0 | 0 | 0 | 0 | 111 | L344 L345 | S329-L344 CarbonylContact O-C 3.54Å; S329-L344 WeakPolarHBondContact O-CA 3.46Å; S329-L345 PolarHBondContact N-O 2.94Å; S329-L345 PolarHBondContact O-N 2.96Å |
| 330 | V | 96.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 62 Ų | 62 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.9 | -175 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | G333 P334 V342 L344 L415 L417 | V330-G333 VanDerWaalsContact CG1-C 3.42Å; V330-G333 WeakPolarHBondContact CG2-O 3.37Å; V330-P334 HydrophobicContact CG1-CB 4.17Å; V330-V342 HydrophobicContact CG2-CG1 3.54Å; V330-L344 HydrophobicContact CB-CD2 3.76Å; V330-L344 HydrophobicContact CG2-CD2 3.9Å; V330-L415 HydrophobicContact CB-CD1 3.86Å; V330-L415 HydrophobicContact CB-CD2 4.13Å; V330-L415 HydrophobicContact CG1-CD1 3.95Å; V330-L415 HydrophobicContact CG1-CD2 4.15Å; V330-L417 HydrophobicContact CG2-CD1 4.17Å |
| 331 | Q | 94.4 | Very high | 94.8 | Very high | 122 Ų | 122 | 66.5 Ų | 66.5 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.8 | 169.3 | -62.7 | -176.6 | 44.8 | 0 | 0 | 109.1 | V342 T343 | Q331-V342 WeakPolarHBondContact O-CA 3.48Å; Q331-T343 PolarHBondContact N-O 2.85Å; Q331-T343 PolarHBondContact O-N 2.83Å |
| 332 | P | 93.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 64.4 Ų | 64.4 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | S | Bend | cis | -75.8 | -22.9 | 2.4 | 31.3 | -36.3 | 0 | 0 | 0 | 114.4 | V336 N341 | P332-V336 HydrophobicContact CG-CG1 4.06Å; P332-N341 WeakPolarHBondContact CD-O 3.45Å |
| 333 | G | 93.6 | Very high | 95 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 16% | 0.155 | 37% | 0.365 | C | S | . | . | trans | -177.2 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V330 T335 | V330-G333 VanDerWaalsContact CG1-C 3.42Å; V330-G333 WeakPolarHBondContact CG2-O 3.37Å; G333-T335 VanDerWaalsContact C-N 3.34Å | ||
| 334 | P | 94.5 | Very high | 95.3 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 44% | 0.442 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -78.4 | -15.8 | -177.7 | 31.4 | -35.7 | 0 | 0 | 0 | 113.8 | V330 L417 V418 | V330-P334 HydrophobicContact CG1-CB 4.17Å; P334-L417 WeakPolarHBondContact O-CA 3.24Å; P334-V418 PolarHBondContact O-N 2.85Å |
| 335 | T | 95.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 53.2 Ų | 53.2 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.6 | 174.5 | -51.7 | 0 | 0 | 0 | 0 | 108.9 | G333 V418 | G333-T335 VanDerWaalsContact C-N 3.34Å; T335-V418 WeakPolarHBondContact CA-O 3.19Å; T335-V418 HydrophobicContact CG2-CB 4.39Å; T335-V418 HydrophobicContact CG2-CG1 4.46Å |
| 336 | V | 94.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 159.3 | -170.1 | -72.7 | 0 | 0 | 0 | 0 | 111.3 | P332 E340 V342 V387 L417 V418 V419 S420 | P332-V336 HydrophobicContact CG-CG1 4.06Å; V336-E340 VanDerWaalsContact CA-OE2 3.32Å; V336-E340 WeakPolarHBondContact CA-OE2 3.42Å; V336-E340 VanDerWaalsContact CB-OE2 3.26Å; V336-E340 WeakPolarHBondContact CB-OE2 3.33Å; V336-V342 HydrophobicContact CB-CG2 4.33Å; V336-V342 HydrophobicContact CG1-CG2 3.96Å; V336-V342 HydrophobicContact CG2-CG2 3.99Å; V336-V387 HydrophobicContact CG2-CG2 3.87Å; V336-L417 HydrophobicContact CG2-CD1 4.14Å; V336-V418 PolarHBondContact N-O 2.74Å; V336-V419 HydrophobicContact CG2-CG2 4.08Å; V336-V419 WeakPolarHBondContact O-CA 3.49Å; V336-S420 PolarHBondContact O-N 2.59Å |
| 337 | A | 93.5 | Very high | 95.6 | Very high | 41 Ų | 41 | 47 Ų | 47 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 148.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G339 E340 | A337-G339 PolarHBondContact O-N 3.41Å; A337-E340 HydrophobicContact CB-CG 4.1Å; A337-E340 PolarHBondContact N-OE2 3.19Å; A337-E340 WeakPolarHBondContact O-CB 3.33Å; A337-E340 WeakPolarHBondContact O-CG 3.34Å; A337-E340 PolarHBondContact O-N 2.94Å; A337-E340 VanDerWaalsContact O-N 3.12Å |
| 338 | S | 94.9 | Very high | 95.5 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 129.5 | 173.7 | -167.8 | 0 | 0 | 0 | 0 | 110.9 | V387 S420 | S338-V387 CarbonylContact C-O 3.24Å; S338-V387 VanDerWaalsContact CA-O 3.27Å; S338-V387 WeakPolarHBondContact CA-O 3.33Å; S338-V387 PolarHBondContact OG-O 3.01Å; S338-S420 PolarHBondContact N-O 3.06Å |
| 339 | G | 92.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | -14.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A337 P386 V387 | A337-G339 PolarHBondContact O-N 3.41Å; G339-P386 WeakPolarHBondContact O-CB 3.33Å; G339-V387 PolarHBondContact N-O 2.98Å |
| 340 | E | 93.8 | Very high | 94.9 | Very high | 87 Ų | 87 | 48 Ų | 48 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | trans | -73.5 | 143.8 | 176.1 | -67 | -178.4 | 157.4 | 0 | 0 | 111.9 | V336 A337 P386 V387 | V336-E340 VanDerWaalsContact CA-OE2 3.32Å; V336-E340 WeakPolarHBondContact CA-OE2 3.42Å; V336-E340 VanDerWaalsContact CB-OE2 3.26Å; V336-E340 WeakPolarHBondContact CB-OE2 3.33Å; A337-E340 HydrophobicContact CB-CG 4.1Å; A337-E340 PolarHBondContact N-OE2 3.19Å; A337-E340 WeakPolarHBondContact O-CB 3.33Å; A337-E340 WeakPolarHBondContact O-CG 3.34Å; A337-E340 PolarHBondContact O-N 2.94Å; A337-E340 VanDerWaalsContact O-N 3.12Å; E340-P386 WeakPolarHBondContact O-CA 3.48Å; E340-V387 PolarHBondContact O-N 3.39Å | ||
| 341 | N | 95.3 | Very high | 94.7 | Very high | 117 Ų | 117 | 52.9 Ų | 52.9 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122.1 | 175.4 | -81.4 | -28.1 | 0 | 0 | 0 | 110.6 | P332 G385 P386 | P332-N341 WeakPolarHBondContact CD-O 3.45Å; N341-G385 WeakPolarHBondContact CA-O 2.94Å; N341-G385 WeakPolarHBondContact OD1-CA 2.95Å; N341-P386 WeakPolarHBondContact OD1-CD 3.35Å; N341-P386 VanDerWaalsContact OD1-N 3.13Å |
| 342 | V | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.9 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | V330 Q331 V336 M384 G385 V387 L417 | V330-V342 HydrophobicContact CG2-CG1 3.54Å; Q331-V342 WeakPolarHBondContact O-CA 3.48Å; V336-V342 HydrophobicContact CB-CG2 4.33Å; V336-V342 HydrophobicContact CG1-CG2 3.96Å; V336-V342 HydrophobicContact CG2-CG2 3.99Å; V342-M384 HydrophobicContact CB-CE 3.97Å; V342-M384 HydrophobicContact CG1-CE 3.48Å; V342-M384 VanDerWaalsContact CG1-CE 3.48Å; V342-M384 PolarHBondContact O-N 2.89Å; V342-G385 PolarHBondContact N-O 3.49Å; V342-V387 HydrophobicContact CB-CG1 3.7Å; V342-V387 HydrophobicContact CG2-CB 4.47Å; V342-V387 HydrophobicContact CG2-CG1 3.48Å; V342-V387 VanDerWaalsContact CG2-CG1 3.48Å; V342-V387 HydrophobicContact CG2-CG2 4.15Å; V342-L417 HydrophobicContact CG1-CD1 4.17Å |
| 343 | T | 96.8 | Very high | 94.6 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127 | 170 | -61.4 | 0 | 0 | 0 | 0 | 109.7 | Q331 E381 | Q331-T343 PolarHBondContact N-O 2.85Å; Q331-T343 PolarHBondContact O-N 2.83Å; T343-E381 HydrophobicContact CG2-CB 3.85Å; T343-E381 HydrophobicContact CG2-CG 4.17Å |
| 344 | L | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.1 | 168.8 | -75.4 | 164.8 | 0 | 0 | 0 | 109.6 | L328 S329 V330 L357 E381 F382 M384 Y395 L415 | L328-L344 HydrophobicContact CD1-CB 4.21Å; L328-L344 HydrophobicContact CD1-CD2 4.23Å; L328-L344 HydrophobicContact CG-CD2 4.45Å; S329-L344 CarbonylContact O-C 3.54Å; S329-L344 WeakPolarHBondContact O-CA 3.46Å; V330-L344 HydrophobicContact CB-CD2 3.76Å; V330-L344 HydrophobicContact CG2-CD2 3.9Å; L344-L357 HydrophobicContact CB-CD2 4.28Å; L344-L357 HydrophobicContact CD1-CD1 4.27Å; L344-L357 HydrophobicContact CD1-CD2 3.72Å; L344-E381 WeakPolarHBondContact O-CA 3.39Å; L344-F382 HydrophobicContact CB-CB 4.22Å; L344-F382 PolarHBondContact N-O 3.39Å; L344-F382 PolarHBondContact O-N 3.3Å; L344-M384 HydrophobicContact CD1-CE 3.51Å; L344-M384 HydrophobicContact CD1-SD 3.9Å; L344-M384 HydrophobicContact CG-CE 3.78Å; L344-Y395 HydrophobicContact CD1-CD1 3.76Å; L344-Y395 HydrophobicContact CD1-CD2 4.28Å; L344-Y395 HydrophobicContact CD1-CE1 4.08Å; L344-Y395 HydrophobicContact CD1-CG 3.86Å; L344-L415 HydrophobicContact CD2-CD1 3.98Å; L344-L415 HydrophobicContact CD2-CD2 3.9Å |
| 345 | L | 97.1 | Very high | 94.8 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.3 | -177.5 | 174.9 | 64.8 | 0 | 0 | 0 | 109.5 | L328 S329 Q379 E381 | L328-L345 WeakPolarHBondContact CA-O 3.44Å; S329-L345 PolarHBondContact N-O 2.94Å; S329-L345 PolarHBondContact O-N 2.96Å; L345-Q379 HydrophobicContact CD1-CB 3.92Å; L345-Q379 HydrophobicContact CD1-CG 4.16Å; L345-E381 HydrophobicContact CD1-CG 3.77Å |
| 346 | C | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.2 | 169.9 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | S327 L328 F355 Q379 A380 F382 C397 | S327-C346 WeakPolarHBondContact O-CA 3.24Å; L328-C346 HydrophobicContact CD1-CB 4.47Å; C346-F355 HydrophobicContact CB-CB 4.24Å; C346-F355 HydrophobicContact CB-CD1 4.09Å; C346-F355 HydrophobicContact CB-CG 4.22Å; C346-F355 WeakPolarHBondContact SG-CD1 3.36Å; C346-Q379 CarbonylContact O-C 3.59Å; C346-Q379 WeakPolarHBondContact O-CA 3.23Å; C346-Q379 WeakPolarHBondContact O-CB 3.42Å; C346-A380 PolarHBondContact N-O 2.95Å; C346-A380 PolarHBondContact O-N 3.42Å; C346-F382 HydrophobicContact CB-CE2 3.91Å; C346-C397 HydrophobicContact CB-CB 3.62Å; C346-C397 WeakPolarHBondContact CB-SG 3.22Å; C346-C397 WeakPolarHBondContact SG-CB 3.28Å; C346-C397 CovalentContact SG-SG 2.03Å; C346-C397 PolarHBondContact SG-SG 2.92Å |
| 347 | Q | 96.4 | Very high | 94.9 | Very high | 35 Ų | 35 | 38 Ų | 38 | 16% | 0.164 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 153.5 | -177.9 | 69.1 | -172.9 | -89.9 | 0 | 0 | 112.9 | V326 S327 Y378 Q379 | V326-Q347 CarbonylContact C-O 3.58Å; V326-Q347 WeakPolarHBondContact CA-O 3.4Å; S327-Q347 PolarHBondContact N-O 2.94Å; S327-Q347 PolarHBondContact O-N 2.97Å; S327-Q347 WeakPolarHBondContact OG-CG 3.36Å; Q347-Y378 CarbonylContact C-O 3.56Å; Q347-Y378 WeakPolarHBondContact CA-O 3.5Å; Q347-Q379 HydrophobicContact CB-CB 4.08Å |
| 348 | S | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.8 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | G350 K377 Y378 | S348-G350 WeakPolarHBondContact CB-O 3.47Å; S348-G350 PolarHBondContact OG-N 3.5Å; S348-G350 PolarHBondContact OG-O 3.27Å; S348-K377 WeakPolarHBondContact O-CB 3.42Å; S348-Y378 PolarHBondContact N-O 3.09Å; S348-Y378 PolarHBondContact O-N 3.38Å |
| 349 | Q | 92.8 | Very high | 94.9 | Very high | 123 Ų | 123 | 38 Ų | 38 | 58% | 0.575 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -80.9 | -36.5 | 169.4 | -166.4 | 57.3 | 60.3 | 0 | 0 | 111.8 | Q376 | Q349-Q376 PolarHBondContact NE2-O 3.45Š|
| 350 | G | 89.6 | Confident | 94.7 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -84.2 | 160.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D324 S348 M352 Y378 | D324-G350 WeakPolarHBondContact OD1-CA 3.45Å; S348-G350 WeakPolarHBondContact CB-O 3.47Å; S348-G350 PolarHBondContact OG-N 3.5Å; S348-G350 PolarHBondContact OG-O 3.27Å; G350-M352 PolarHBondContact O-N 2.9Å; G350-Y378 WeakPolarHBondContact O-CD2 3.23Å |
| 351 | W | 91.7 | Very high | 94 | Very high | 125 Ų | 125 | 40.5 Ų | 40.5 | 47% | 0.473 | 22% | 0.224 | S | C | . | . | trans | -66.7 | 118.6 | -175.5 | -179.2 | 86.3 | 0 | 0 | 0 | 112.4 | Q353 Y378 Q401 | W351-Q353 HydrophobicContact CH2-CB 3.9Å; W351-Q353 HydrophobicContact CH2-CG 4.48Å; W351-Q353 HydrophobicContact CZ2-CB 3.91Å; W351-Q353 HydrophobicContact CZ2-CG 4.36Å; W351-Y378 HydrophobicContact CB-CD2 4.48Å; W351-Y378 HydrophobicContact CB-CE2 4.11Å; W351-Y378 AromaticContact CD1-CE1 3.56Å; W351-Y378 AromaticContact CD1-CZ 3.58Å; W351-Q401 HydrophobicContact CE3-CG 3.98Å; W351-Q401 HydrophobicContact CZ3-CB 3.95Å; W351-Q401 HydrophobicContact CZ3-CG 3.66Å; W351-Q401 PolarHBondContact O-NE2 2.98Å | ||
| 352 | M | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -124.7 | 146.8 | 169.3 | -66.1 | -62.1 | 148.5 | 0 | 0 | 108.6 | D324 G350 F355 S371 Q401 T409 | D324-M352 HydrophobicContact CB-CE 3.43Å; D324-M352 VanDerWaalsContact CB-CE 3.43Å; D324-M352 WeakPolarHBondContact OD2-CE 3.39Å; G350-M352 PolarHBondContact O-N 2.9Å; M352-F355 HydrophobicContact CB-CE1 4.05Å; M352-F355 HydrophobicContact CB-CE2 4.17Å; M352-F355 HydrophobicContact CB-CZ 3.75Å; M352-F355 HydrophobicContact CG-CE1 4.17Å; M352-F355 HydrophobicContact CG-CZ 4.22Å; M352-S371 VanDerWaalsContact O-CB 3.23Å; M352-S371 WeakPolarHBondContact O-CB 3.16Å; M352-S371 PolarHBondContact O-OG 2.59Å; M352-Q401 HydrophobicContact SD-CG 4.14Å; M352-T409 HydrophobicContact CE-CG2 3.61Å; M352-T409 HydrophobicContact SD-CG2 3.93Å | ||
| 353 | Q | 93.6 | Very high | 92.1 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -103.6 | -32.1 | -176.6 | -177 | 177.8 | -8.4 | 0 | 0 | 112.3 | W351 R370 S371 S400 S402 | W351-Q353 HydrophobicContact CH2-CB 3.9Å; W351-Q353 HydrophobicContact CH2-CG 4.48Å; W351-Q353 HydrophobicContact CZ2-CB 3.91Å; W351-Q353 HydrophobicContact CZ2-CG 4.36Å; Q353-R370 WeakPolarHBondContact O-CG 3.39Å; Q353-S371 WeakPolarHBondContact CA-OG 3.28Å; Q353-S371 PolarHBondContact O-N 2.99Å; Q353-S371 PolarHBondContact O-OG 3.37Å; Q353-S400 PolarHBondContact N-O 2.98Å; Q353-S402 PolarHBondContact NE2-OG 2.67Å; Q353-S402 VanDerWaalsContact NE2-OG 3.11Å; Q353-S402 PolarHBondContact OE1-OG 2.71Å |
| 354 | T | 95.5 | Very high | 91.2 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.7 | 171.4 | 49.5 | 0 | 0 | 0 | 0 | 109.5 | R368 L369 S400 | T354-R368 HydrophobicContact CG2-CG 4.32Å; T354-L369 CarbonylContact C-O 3.59Å; T354-L369 WeakPolarHBondContact CA-O 3.47Å; T354-L369 VanDerWaalsContact CB-O 3.29Å; T354-L369 WeakPolarHBondContact CB-O 3.42Å; T354-S400 PolarHBondContact N-O 3.3Å; T354-S400 PolarHBondContact O-N 3.22Å |
| 355 | F | 96.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.4 | 165.5 | -67.1 | -83.6 | 0 | 0 | 0 | 109 | V326 C346 M352 R368 L369 Y378 A380 F382 Y398 | V326-F355 HydrophobicContact CG1-CD1 4.34Å; V326-F355 HydrophobicContact CG1-CE1 3.84Å; C346-F355 HydrophobicContact CB-CB 4.24Å; C346-F355 HydrophobicContact CB-CD1 4.09Å; C346-F355 HydrophobicContact CB-CG 4.22Å; C346-F355 WeakPolarHBondContact SG-CD1 3.36Å; M352-F355 HydrophobicContact CB-CE1 4.05Å; M352-F355 HydrophobicContact CB-CE2 4.17Å; M352-F355 HydrophobicContact CB-CZ 3.75Å; M352-F355 HydrophobicContact CG-CE1 4.17Å; M352-F355 HydrophobicContact CG-CZ 4.22Å; F355-R368 WeakPolarHBondContact O-CA 3.47Å; F355-L369 PolarHBondContact N-O 3.49Å; F355-L369 PolarHBondContact O-N 2.89Å; F355-Y378 VanDerWaalsContact CZ-O 3.29Å; F355-Y378 WeakPolarHBondContact CZ-O 3.45Å; F355-A380 HydrophobicContact CB-CB 3.99Å; F355-A380 HydrophobicContact CD2-CB 3.69Å; F355-A380 HydrophobicContact CG-CB 4.21Å; F355-F382 HydrophobicContact CB-CE2 4.24Å; F355-F382 HydrophobicContact CB-CZ 3.96Å; F355-Y398 CarbonylContact C-O 3.53Å; F355-Y398 VanDerWaalsContact CA-O 3.24Å; F355-Y398 WeakPolarHBondContact CA-O 3.34Å |
| 356 | L | 96.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.6 | 172.6 | -70.8 | 73.6 | 0 | 0 | 0 | 108.5 | L317 P366 W367 R368 C397 Y398 L408 | L317-L356 HydrophobicContact CD1-CD2 3.42Å; L317-L356 VanDerWaalsContact CD1-CD2 3.42Å; L356-P366 HydrophobicContact CD2-CB 4.06Å; L356-W367 CarbonylContact C-O 3.54Å; L356-W367 WeakPolarHBondContact CA-O 3.27Å; L356-R368 HydrophobicContact CD1-CG 4.05Å; L356-R368 HydrophobicContact CG-CB 4.11Å; L356-R368 HydrophobicContact CG-CG 4.11Å; L356-C397 CarbonylContact O-C 3.58Å; L356-C397 WeakPolarHBondContact O-CA 3.24Å; L356-C397 WeakPolarHBondContact O-CB 3.43Å; L356-Y398 PolarHBondContact N-O 3.19Å; L356-Y398 PolarHBondContact O-N 3.34Å; L356-L408 HydrophobicContact CD1-CD2 3.84Å; L356-L408 HydrophobicContact CD2-CD1 4.38Å; L356-L408 HydrophobicContact CD2-CD2 3.97Å; L356-L408 HydrophobicContact CG-CD2 4.48Å |
| 357 | L | 96.4 | Very high | 89.9 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.9 | 170.8 | -176.6 | 68.7 | 0 | 0 | 0 | 109.3 | L328 L344 W367 F382 Y395 C397 | L328-L357 HydrophobicContact CD1-CD1 4.11Å; L328-L357 HydrophobicContact CD2-CD1 4.08Å; L344-L357 HydrophobicContact CB-CD2 4.28Å; L344-L357 HydrophobicContact CD1-CD1 4.27Å; L344-L357 HydrophobicContact CD1-CD2 3.72Å; L357-W367 HydrophobicContact CD2-CE3 4.49Å; L357-W367 PolarHBondContact N-O 3.46Å; L357-W367 PolarHBondContact O-N 3.19Å; L357-F382 HydrophobicContact CB-CD1 3.73Å; L357-F382 HydrophobicContact CB-CD2 4.35Å; L357-F382 HydrophobicContact CB-CE1 3.67Å; L357-F382 HydrophobicContact CB-CE2 4.3Å; L357-F382 HydrophobicContact CB-CG 4.09Å; L357-F382 HydrophobicContact CB-CZ 3.97Å; L357-F382 HydrophobicContact CD2-CB 3.73Å; L357-F382 HydrophobicContact CD2-CD1 4Å; L357-F382 HydrophobicContact CD2-CD2 4.37Å; L357-F382 HydrophobicContact CD2-CG 3.79Å; L357-Y395 HydrophobicContact CD1-CD1 4.1Å; L357-Y395 HydrophobicContact CD2-CD1 4.13Å; L357-Y395 HydrophobicContact CD2-CE1 4.44Å; L357-Y395 HydrophobicContact CG-CD1 4.08Å; L357-C397 HydrophobicContact CD1-CB 4.17Å |
| 358 | T | 94.8 | Very high | 89.8 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 155.7 | 175.1 | 52.9 | 0 | 0 | 0 | 0 | 111 | I235 P366 Y395 R396 Y398 | I235-T358 HydrophobicContact CD1-CG2 3.45Å; I235-T358 VanDerWaalsContact CD1-CG2 3.45Å; I235-T358 HydrophobicContact CG1-CG2 4.4Å; T358-P366 HydrophobicContact CG2-CB 3.74Å; T358-P366 HydrophobicContact CG2-CG 3.88Å; T358-Y395 VanDerWaalsContact O-CA 3.26Å; T358-Y395 WeakPolarHBondContact O-CA 3.29Å; T358-Y395 WeakPolarHBondContact O-CD1 3.44Å; T358-R396 PolarHBondContact N-O 3.49Å; T358-R396 PolarHBondContact O-N 2.78Å; T358-R396 PolarHBondContact OG1-O 2.76Å; T358-Y398 HydrophobicContact CG2-CE2 4.39Å |
| 359 | K | 92.8 | Very high | 89.8 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.8 | 172.2 | -169.9 | -166.1 | -175.1 | -162.7 | 0 | 108.6 | A362 A390 A392 T394 Y395 | K359-A362 HydrophobicContact CB-CB 4.1Å; K359-A362 PolarHBondContact O-N 3.17Å; K359-A390 PolarHBondContact NZ-O 2.64Å; K359-A392 WeakPolarHBondContact CE-O 3.47Å; K359-A392 PolarHBondContact NZ-O 2.86Å; K359-T394 CarbonylContact C-O 3.58Å; K359-T394 VanDerWaalsContact CA-O 3.31Å; K359-T394 WeakPolarHBondContact CA-O 3.09Å; K359-Y395 HydrophobicContact CB-CD1 4.03Å; K359-Y395 HydrophobicContact CB-CE1 3.78Å; K359-Y395 HydrophobicContact CD-CE1 4.36Å; K359-Y395 HydrophobicContact CD-CE2 4.39Å; K359-Y395 HydrophobicContact CG-CD1 4.34Å; K359-Y395 HydrophobicContact CG-CD2 4.49Å; K359-Y395 HydrophobicContact CG-CE1 3.98Å; K359-Y395 HydrophobicContact CG-CE2 4.1Å |
| 360 | E | 88.9 | Confident | 89.9 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 45% | 0.453 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 137.3 | 174.9 | -70.5 | -175.1 | 149.7 | 0 | 0 | 111 | A362 T394 R396 | E360-A362 PolarHBondContact O-N 3.14Å; E360-T394 HydrophobicContact CG-CG2 4.41Å; E360-T394 PolarHBondContact N-O 3.11Å; E360-T394 WeakPolarHBondContact OE2-CB 3.4Å; E360-T394 WeakPolarHBondContact OE2-CG2 3.17Å; E360-T394 PolarHBondContact OE2-OG1 2.02Å; E360-R396 IonicContact OE1-CZ 2.68Å; E360-R396 IonicContact OE1-NH1 2.58Å; E360-R396 PolarHBondContact OE1-NH1 2.9Å; E360-R396 IonicContact OE1-NH2 2.74Å; E360-R396 PolarHBondContact OE1-NH2 2.86Å |
| 361 | G | 79.6 | Confident | 90.2 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 93% | 0.928 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 3.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 362 | A | 80.1 | Confident | 90.3 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | trans | -76 | 140.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K359 E360 | K359-A362 HydrophobicContact CB-CB 4.1Å; K359-A362 PolarHBondContact O-N 3.17Å; E360-A362 PolarHBondContact O-N 3.14Å | ||
| 363 | A | 71.4 | Confident | 90.4 | Very high | 108 Ų | 108 | 71.3 Ų | 71.3 | 89% | 0.893 | 38% | 0.384 | S | S | * | . | trans | -93.9 | -9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 364 | D | 78.4 | Confident | 90.2 | Very high | 137 Ų | 137 | 73.4 Ų | 73.4 | 73% | 0.733 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -77.9 | 154.5 | -179.1 | -50.9 | -71.3 | 0 | 0 | 0 | 112.3 | ||
| 365 | D | 82.1 | Confident | 89.8 | Confident | 129 Ų | 129 | 76.7 Ų | 76.7 | 69% | 0.69 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 142.6 | 178.9 | -76.3 | -51.7 | 0 | 0 | 0 | 112.9 | W367 | D365-W367 PolarHBondContact O-N 3.13Š|
| 366 | P | 89.1 | Confident | 89.5 | Confident | 23 Ų | 23 | 83.8 Ų | 83.8 | 15% | 0.149 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 120.5 | 174.7 | -28.1 | 35.9 | 0 | 0 | 0 | 112.8 | P234 I235 L356 T358 R368 | P234-P366 HydrophobicContact CG-CG 3.99Å; I235-P366 HydrophobicContact CD1-CB 4.36Å; I235-P366 HydrophobicContact CD1-CG 4.12Å; I235-P366 HydrophobicContact CG1-CG 4.17Å; L356-P366 HydrophobicContact CD2-CB 4.06Å; T358-P366 HydrophobicContact CG2-CB 3.74Å; T358-P366 HydrophobicContact CG2-CG 3.88Å; P366-R368 PolarHBondContact O-N 3.05Å |
| 367 | W | 92.9 | Very high | 89.3 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 42% | 0.42 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 111.6 | -178.2 | -172.5 | 11.3 | 0 | 0 | 0 | 109.7 | L356 L357 D365 L369 F382 P383 M384 | L356-W367 CarbonylContact C-O 3.54Å; L356-W367 WeakPolarHBondContact CA-O 3.27Å; L357-W367 HydrophobicContact CD2-CE3 4.49Å; L357-W367 PolarHBondContact N-O 3.46Å; L357-W367 PolarHBondContact O-N 3.19Å; D365-W367 PolarHBondContact O-N 3.13Å; W367-L369 HydrophobicContact CZ2-CD1 4.23Å; W367-F382 AromaticContact CD2-CD1 3.76Å; W367-F382 HydrophobicContact CD2-CD1 3.76Å; W367-F382 HydrophobicContact CD2-CE1 4.48Å; W367-F382 HydrophobicContact CE3-CB 4.1Å; W367-F382 AromaticContact CE3-CD1 3.8Å; W367-F382 HydrophobicContact CE3-CD1 3.8Å; W367-F382 HydrophobicContact CE3-CG 4.45Å; W367-F382 HydrophobicContact CG-CD1 4.09Å; W367-F382 HydrophobicContact CG-CE1 4.36Å; W367-F382 HydrophobicContact CH2-CB 4.32Å; W367-F382 HydrophobicContact CZ3-CB 3.85Å; W367-F382 HydrophobicContact CZ3-CD1 4.31Å; W367-F382 VanDerWaalsContact O-CE1 3.31Å; W367-F382 WeakPolarHBondContact O-CE1 3.46Å; W367-P383 WeakPolarHBondContact CH2-O 3.43Å; W367-M384 HydrophobicContact CZ3-CG 4.46Å |
| 368 | R | 94.3 | Very high | 89.3 | Confident | 98 Ų | 98 | 89 Ų | 89 | 37% | 0.37 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.5 | -176.3 | -176.4 | 178.5 | -82.7 | 175.8 | -11 | 110.9 | T354 F355 L356 P366 P405 | T354-R368 HydrophobicContact CG2-CG 4.32Å; F355-R368 WeakPolarHBondContact O-CA 3.47Å; L356-R368 HydrophobicContact CD1-CG 4.05Å; L356-R368 HydrophobicContact CG-CB 4.11Å; L356-R368 HydrophobicContact CG-CG 4.11Å; P366-R368 PolarHBondContact O-N 3.05Å; R368-P405 PolarHBondContact NH2-O 3.34Å |
| 369 | L | 95.8 | Very high | 89.4 | Confident | 49 Ų | 49 | 88 Ų | 88 | 26% | 0.257 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 155.9 | 175.7 | -68.7 | -178.8 | 0 | 0 | 0 | 111.6 | T354 F355 W367 A380 E381 F382 | T354-L369 CarbonylContact C-O 3.59Å; T354-L369 WeakPolarHBondContact CA-O 3.47Å; T354-L369 VanDerWaalsContact CB-O 3.29Å; T354-L369 WeakPolarHBondContact CB-O 3.42Å; F355-L369 PolarHBondContact N-O 3.49Å; F355-L369 PolarHBondContact O-N 2.89Å; W367-L369 HydrophobicContact CZ2-CD1 4.23Å; L369-A380 HydrophobicContact CB-CB 4.22Å; L369-E381 WeakPolarHBondContact CD1-O 3.2Å; L369-F382 HydrophobicContact CB-CE1 3.88Å; L369-F382 HydrophobicContact CB-CZ 4.12Å; L369-F382 HydrophobicContact CD1-CD1 3.42Å; L369-F382 VanDerWaalsContact CD1-CD1 3.42Å; L369-F382 HydrophobicContact CD1-CE1 3.61Å; L369-F382 HydrophobicContact CD1-CG 3.93Å; L369-F382 HydrophobicContact CD1-CZ 4.26Å; L369-F382 HydrophobicContact CG-CD1 3.91Å; L369-F382 HydrophobicContact CG-CE1 3.63Å; L369-F382 HydrophobicContact CG-CZ 4.34Å |
| 370 | R | 95.3 | Very high | 89.6 | Confident | 200 Ų | 200 | 85.4 Ų | 85.4 | 76% | 0.755 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.9 | 177 | -170.4 | 177.4 | -178.5 | 172 | 0.1 | 110.6 | Q353 | Q353-R370 WeakPolarHBondContact O-CG 3.39Å |
| 371 | S | 95.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 85.7 Ų | 85.7 | 18% | 0.175 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 138.1 | 175.7 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | M352 Q353 Q379 | M352-S371 VanDerWaalsContact O-CB 3.23Å; M352-S371 WeakPolarHBondContact O-CB 3.16Å; M352-S371 PolarHBondContact O-OG 2.59Å; Q353-S371 WeakPolarHBondContact CA-OG 3.28Å; Q353-S371 PolarHBondContact O-N 2.99Å; Q353-S371 PolarHBondContact O-OG 3.37Å; S371-Q379 CarbonylContact C-O 3.57Å; S371-Q379 WeakPolarHBondContact CA-O 3.48Å |
| 372 | T | 94.7 | Very high | 90.8 | Very high | 64 Ų | 64 | 81.4 Ų | 81.4 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 162.1 | 154 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | Y378 Q379 | T372-Y378 WeakPolarHBondContact O-CA 3.28Å; T372-Q379 PolarHBondContact N-O 2.65Å; T372-Q379 PolarHBondContact O-N 3.12Å; T372-Q379 PolarHBondContact OG1-O 3.01Å |
| 373 | Y | 93.8 | Very high | 91.5 | Very high | 138 Ų | 138 | 82.8 Ų | 82.8 | 54% | 0.541 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 115.6 | 170.3 | -177.4 | -110.9 | 0 | 0 | 0 | 109.1 | K377 Y378 | Y373-K377 WeakPolarHBondContact CA-O 3.5Å; Y373-K377 WeakPolarHBondContact CD2-O 3.09Å; Y373-Y378 AromaticContact CD2-CD1 3.81Å; Y373-Y378 HydrophobicContact CD2-CD1 3.81Å; Y373-Y378 HydrophobicContact CD2-CD2 4.04Å; Y373-Y378 AromaticContact CD2-CE1 3.44Å; Y373-Y378 HydrophobicContact CD2-CE1 3.44Å; Y373-Y378 VanDerWaalsContact CD2-CE1 3.44Å; Y373-Y378 AromaticContact CD2-CE2 3.71Å; Y373-Y378 HydrophobicContact CD2-CE2 3.71Å; Y373-Y378 HydrophobicContact CD2-CG 4.07Å; Y373-Y378 AromaticContact CD2-CZ 3.37Å; Y373-Y378 HydrophobicContact CE2-CD2 4.3Å; Y373-Y378 HydrophobicContact CE2-CE1 4.25Å; Y373-Y378 AromaticContact CE2-CE2 3.76Å; Y373-Y378 HydrophobicContact CE2-CE2 3.76Å; Y373-Y378 AromaticContact CE2-CZ 3.7Å; Y373-Y378 HydrophobicContact CG-CD1 4.43Å; Y373-Y378 AromaticContact CG-CE1 3.96Å; Y373-Y378 HydrophobicContact CG-CE1 3.96Å |
| 374 | Q | 90.1 | Very high | 92.5 | Very high | 93 Ų | 93 | 79.1 Ų | 79.1 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 150.4 | -174.5 | -66.5 | -176.2 | -8.4 | 0 | 0 | 109.3 | Q376 K377 Q379 | Q374-Q376 PolarHBondContact O-N 3.08Å; Q374-K377 PolarHBondContact N-O 2.73Å; Q374-K377 CarbonylContact O-C 3.54Å; Q374-K377 PolarHBondContact O-N 2.73Å; Q374-Q379 HydrophobicContact CB-CG 4.47Å |
| 375 | S | 86.6 | Confident | 93.1 | Very high | 100 Ų | 100 | 73.6 Ų | 73.6 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 37.3 | 178.3 | 65.6 | 0 | 0 | 0 | 0 | 116 | K377 | S375-K377 VanDerWaalsContact C-N 3.28Å; S375-K377 PolarHBondContact O-N 2.79Å |
| 376 | Q | 89.9 | Confident | 93.6 | Very high | 150 Ų | 150 | 71.4 Ų | 71.4 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 23.2 | -175.3 | -55.4 | -179.2 | -11.1 | 0 | 0 | 115.1 | Q349 Q374 | Q349-Q376 PolarHBondContact NE2-O 3.45Å; Q374-Q376 PolarHBondContact O-N 3.08Å |
| 377 | K | 93.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 70.3 Ų | 70.3 | 27% | 0.27 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 160.3 | -179.6 | -72.4 | 177 | 176 | 176.4 | 0 | 111.8 | S348 Y373 Q374 S375 | S348-K377 WeakPolarHBondContact O-CB 3.42Å; Y373-K377 WeakPolarHBondContact CA-O 3.5Å; Y373-K377 WeakPolarHBondContact CD2-O 3.09Å; Q374-K377 PolarHBondContact N-O 2.73Å; Q374-K377 CarbonylContact O-C 3.54Å; Q374-K377 PolarHBondContact O-N 2.73Å; S375-K377 VanDerWaalsContact C-N 3.28Å; S375-K377 PolarHBondContact O-N 2.79Å |
| 378 | Y | 95.8 | Very high | 93.9 | Very high | 56 Ų | 56 | 68 Ų | 68 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.3 | 167.8 | -63.6 | -84.7 | 0 | 0 | 0 | 108.5 | Q347 S348 G350 W351 F355 T372 Y373 | Q347-Y378 CarbonylContact C-O 3.56Å; Q347-Y378 WeakPolarHBondContact CA-O 3.5Å; S348-Y378 PolarHBondContact N-O 3.09Å; S348-Y378 PolarHBondContact O-N 3.38Å; G350-Y378 WeakPolarHBondContact O-CD2 3.23Å; W351-Y378 HydrophobicContact CB-CD2 4.48Å; W351-Y378 HydrophobicContact CB-CE2 4.11Å; W351-Y378 AromaticContact CD1-CE1 3.56Å; W351-Y378 AromaticContact CD1-CZ 3.58Å; F355-Y378 VanDerWaalsContact CZ-O 3.29Å; F355-Y378 WeakPolarHBondContact CZ-O 3.45Å; T372-Y378 WeakPolarHBondContact O-CA 3.28Å; Y373-Y378 AromaticContact CD2-CD1 3.81Å; Y373-Y378 HydrophobicContact CD2-CD1 3.81Å; Y373-Y378 HydrophobicContact CD2-CD2 4.04Å; Y373-Y378 AromaticContact CD2-CE1 3.44Å; Y373-Y378 HydrophobicContact CD2-CE1 3.44Å; Y373-Y378 VanDerWaalsContact CD2-CE1 3.44Å; Y373-Y378 AromaticContact CD2-CE2 3.71Å; Y373-Y378 HydrophobicContact CD2-CE2 3.71Å; Y373-Y378 HydrophobicContact CD2-CG 4.07Å; Y373-Y378 AromaticContact CD2-CZ 3.37Å; Y373-Y378 HydrophobicContact CE2-CD2 4.3Å; Y373-Y378 HydrophobicContact CE2-CE1 4.25Å; Y373-Y378 AromaticContact CE2-CE2 3.76Å; Y373-Y378 HydrophobicContact CE2-CE2 3.76Å; Y373-Y378 AromaticContact CE2-CZ 3.7Å; Y373-Y378 HydrophobicContact CG-CD1 4.43Å; Y373-Y378 AromaticContact CG-CE1 3.96Å; Y373-Y378 HydrophobicContact CG-CE1 3.96Å |
| 379 | Q | 96.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 163.8 | -176.2 | 67.5 | -175.3 | 56.7 | 0 | 0 | 113.2 | L345 C346 Q347 S371 T372 Q374 | L345-Q379 HydrophobicContact CD1-CB 3.92Å; L345-Q379 HydrophobicContact CD1-CG 4.16Å; C346-Q379 CarbonylContact O-C 3.59Å; C346-Q379 WeakPolarHBondContact O-CA 3.23Å; C346-Q379 WeakPolarHBondContact O-CB 3.42Å; Q347-Q379 HydrophobicContact CB-CB 4.08Å; S371-Q379 CarbonylContact C-O 3.57Å; S371-Q379 WeakPolarHBondContact CA-O 3.48Å; T372-Q379 PolarHBondContact N-O 2.65Å; T372-Q379 PolarHBondContact O-N 3.12Å; T372-Q379 PolarHBondContact OG1-O 3.01Å; Q374-Q379 HydrophobicContact CB-CG 4.47Å |
| 380 | A | 96.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 137.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | C346 F355 L369 F382 | C346-A380 PolarHBondContact N-O 2.95Å; C346-A380 PolarHBondContact O-N 3.42Å; F355-A380 HydrophobicContact CB-CB 3.99Å; F355-A380 HydrophobicContact CD2-CB 3.69Å; F355-A380 HydrophobicContact CG-CB 4.21Å; L369-A380 HydrophobicContact CB-CB 4.22Å; A380-F382 HydrophobicContact CB-CE2 3.88Å; A380-F382 HydrophobicContact CB-CZ 4.19Å |
| 381 | E | 96.9 | Very high | 93.4 | Very high | 104 Ų | 104 | 61.8 Ų | 61.8 | 49% | 0.486 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.5 | 176.8 | -72.6 | 167.3 | -147.6 | 0 | 0 | 109.7 | T343 L344 L345 L369 P383 | T343-E381 HydrophobicContact CG2-CB 3.85Å; T343-E381 HydrophobicContact CG2-CG 4.17Å; L344-E381 WeakPolarHBondContact O-CA 3.39Å; L345-E381 HydrophobicContact CD1-CG 3.77Å; L369-E381 WeakPolarHBondContact CD1-O 3.2Å; E381-P383 VanDerWaalsContact O-CD 3.22Å; E381-P383 WeakPolarHBondContact O-CD 3.45Å |
| 382 | F | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 85.9 | 179.6 | -62.3 | -93.5 | 0 | 0 | 0 | 108.4 | L344 C346 F355 L357 W367 L369 A380 M384 | L344-F382 HydrophobicContact CB-CB 4.22Å; L344-F382 PolarHBondContact N-O 3.39Å; L344-F382 PolarHBondContact O-N 3.3Å; C346-F382 HydrophobicContact CB-CE2 3.91Å; F355-F382 HydrophobicContact CB-CE2 4.24Å; F355-F382 HydrophobicContact CB-CZ 3.96Å; L357-F382 HydrophobicContact CB-CD1 3.73Å; L357-F382 HydrophobicContact CB-CD2 4.35Å; L357-F382 HydrophobicContact CB-CE1 3.67Å; L357-F382 HydrophobicContact CB-CE2 4.3Å; L357-F382 HydrophobicContact CB-CG 4.09Å; L357-F382 HydrophobicContact CB-CZ 3.97Å; L357-F382 HydrophobicContact CD2-CB 3.73Å; L357-F382 HydrophobicContact CD2-CD1 4Å; L357-F382 HydrophobicContact CD2-CD2 4.37Å; L357-F382 HydrophobicContact CD2-CG 3.79Å; W367-F382 AromaticContact CD2-CD1 3.76Å; W367-F382 HydrophobicContact CD2-CD1 3.76Å; W367-F382 HydrophobicContact CD2-CE1 4.48Å; W367-F382 HydrophobicContact CE3-CB 4.1Å; W367-F382 AromaticContact CE3-CD1 3.8Å; W367-F382 HydrophobicContact CE3-CD1 3.8Å; W367-F382 HydrophobicContact CE3-CG 4.45Å; W367-F382 HydrophobicContact CG-CD1 4.09Å; W367-F382 HydrophobicContact CG-CE1 4.36Å; W367-F382 HydrophobicContact CH2-CB 4.32Å; W367-F382 HydrophobicContact CZ3-CB 3.85Å; W367-F382 HydrophobicContact CZ3-CD1 4.31Å; W367-F382 VanDerWaalsContact O-CE1 3.31Å; W367-F382 WeakPolarHBondContact O-CE1 3.46Å; L369-F382 HydrophobicContact CB-CE1 3.88Å; L369-F382 HydrophobicContact CB-CZ 4.12Å; L369-F382 HydrophobicContact CD1-CD1 3.42Å; L369-F382 VanDerWaalsContact CD1-CD1 3.42Å; L369-F382 HydrophobicContact CD1-CE1 3.61Å; L369-F382 HydrophobicContact CD1-CG 3.93Å; L369-F382 HydrophobicContact CD1-CZ 4.26Å; L369-F382 HydrophobicContact CG-CD1 3.91Å; L369-F382 HydrophobicContact CG-CE1 3.63Å; L369-F382 HydrophobicContact CG-CZ 4.34Å; A380-F382 HydrophobicContact CB-CE2 3.88Å; A380-F382 HydrophobicContact CB-CZ 4.19Å; F382-M384 PolarHBondContact O-N 3.05Å |
| 383 | P | 95.9 | Very high | 93.3 | Very high | 75 Ų | 75 | 60.4 Ų | 60.4 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 108.2 | -177.6 | 30.1 | -34.4 | 0 | 0 | 0 | 110.6 | W367 E381 G385 | W367-P383 WeakPolarHBondContact CH2-O 3.43Å; E381-P383 VanDerWaalsContact O-CD 3.22Å; E381-P383 WeakPolarHBondContact O-CD 3.45Å; P383-G385 VanDerWaalsContact C-N 3.26Å; P383-G385 PolarHBondContact O-N 3.14Å |
| 384 | M | 92.1 | Very high | 93.4 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -7.4 | 178.8 | -66.9 | -175.8 | -68.1 | 0 | 0 | 113.3 | V342 L344 W367 F382 V387 Y395 L417 | V342-M384 HydrophobicContact CB-CE 3.97Å; V342-M384 HydrophobicContact CG1-CE 3.48Å; V342-M384 VanDerWaalsContact CG1-CE 3.48Å; V342-M384 PolarHBondContact O-N 2.89Å; L344-M384 HydrophobicContact CD1-CE 3.51Å; L344-M384 HydrophobicContact CD1-SD 3.9Å; L344-M384 HydrophobicContact CG-CE 3.78Å; W367-M384 HydrophobicContact CZ3-CG 4.46Å; F382-M384 PolarHBondContact O-N 3.05Å; M384-V387 HydrophobicContact CB-CG1 4.45Å; M384-Y395 HydrophobicContact SD-CE1 4.23Å; M384-L417 HydrophobicContact CE-CD2 3.76Å |
| 385 | G | 90.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.1 | -155 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N341 V342 P383 V387 | N341-G385 WeakPolarHBondContact CA-O 2.94Å; N341-G385 WeakPolarHBondContact OD1-CA 2.95Å; V342-G385 PolarHBondContact N-O 3.49Å; P383-G385 VanDerWaalsContact C-N 3.26Å; P383-G385 PolarHBondContact O-N 3.14Å; G385-V387 PolarHBondContact O-N 3.32Å |
| 386 | P | 93.3 | Very high | 94.2 | Very high | 83 Ų | 83 | 49.4 Ų | 49.4 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 113 | -175.9 | 27.5 | -33.9 | 0 | 0 | 0 | 110.7 | G339 E340 N341 | G339-P386 WeakPolarHBondContact O-CB 3.33Å; E340-P386 WeakPolarHBondContact O-CA 3.48Å; N341-P386 WeakPolarHBondContact OD1-CD 3.35Å; N341-P386 VanDerWaalsContact OD1-N 3.13Å |
| 387 | V | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -78.8 | 149.3 | -167 | -61.4 | 0 | 0 | 0 | 0 | 114.9 | V336 S338 G339 E340 V342 M384 G385 H391 V419 | V336-V387 HydrophobicContact CG2-CG2 3.87Å; S338-V387 CarbonylContact C-O 3.24Å; S338-V387 VanDerWaalsContact CA-O 3.27Å; S338-V387 WeakPolarHBondContact CA-O 3.33Å; S338-V387 PolarHBondContact OG-O 3.01Å; G339-V387 PolarHBondContact N-O 2.98Å; E340-V387 PolarHBondContact O-N 3.39Å; V342-V387 HydrophobicContact CB-CG1 3.7Å; V342-V387 HydrophobicContact CG2-CB 4.47Å; V342-V387 HydrophobicContact CG2-CG1 3.48Å; V342-V387 VanDerWaalsContact CG2-CG1 3.48Å; V342-V387 HydrophobicContact CG2-CG2 4.15Å; M384-V387 HydrophobicContact CB-CG1 4.45Å; G385-V387 PolarHBondContact O-N 3.32Å; V387-H391 HydrophobicContact CB-CB 4.34Å; V387-H391 HydrophobicContact CG1-CB 4.43Å; V387-V419 HydrophobicContact CB-CG1 4.46Å; V387-V419 HydrophobicContact CB-CG2 4.2Å; V387-V419 HydrophobicContact CG2-CG1 3.78Å; V387-V419 HydrophobicContact CG2-CG2 3.93Å | ||
| 388 | T | 93.6 | Very high | 94.8 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | trans | -119.9 | 170.5 | 171.8 | 69 | 0 | 0 | 0 | 0 | 110.2 | A390 H391 | T388-A390 PolarHBondContact O-N 2.91Å; T388-A390 VanDerWaalsContact O-N 3.11Å; T388-A390 PolarHBondContact OG1-N 2.94Å; T388-H391 WeakPolarHBondContact O-CB 3.11Å; T388-H391 PolarHBondContact O-N 3.25Å | ||
| 389 | S | 91.9 | Very high | 94.8 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 67% | 0.671 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -56.5 | -24.5 | 174.2 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | H391 A392 | S389-H391 PolarHBondContact O-N 2.9Å; S389-A392 WeakPolarHBondContact O-CB 3.39Å; S389-A392 PolarHBondContact O-N 2.83Å; S389-A392 VanDerWaalsContact O-N 3.14Å |
| 390 | A | 91.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 56% | 0.562 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -65 | -22 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K359 T388 | K359-A390 PolarHBondContact NZ-O 2.64Å; T388-A390 PolarHBondContact O-N 2.91Å; T388-A390 VanDerWaalsContact O-N 3.11Å; T388-A390 PolarHBondContact OG1-N 2.94Å |
| 391 | H | 93 | Very high | 94.5 | Very high | 54 Ų | 54 | 38.4 Ų | 38.4 | 25% | 0.25 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -85.4 | -8.9 | 176 | -55.8 | 170.1 | 0 | 0 | 0 | 112.7 | V387 T388 S389 Y395 L417 | V387-H391 HydrophobicContact CB-CB 4.34Å; V387-H391 HydrophobicContact CG1-CB 4.43Å; T388-H391 WeakPolarHBondContact O-CB 3.11Å; T388-H391 PolarHBondContact O-N 3.25Å; S389-H391 PolarHBondContact O-N 2.9Å; H391-Y395 WeakPolarHBondContact O-CE2 3.21Å; H391-Y395 PolarHBondContact O-OH 2.85Å; H391-L417 HydrophobicContact CB-CD2 4.4Å |
| 392 | A | 93.6 | Very high | 94.1 | Very high | 34 Ų | 34 | 37.2 Ų | 37.2 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | trans | -71 | 140.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K359 S389 L417 V419 | K359-A392 WeakPolarHBondContact CE-O 3.47Å; K359-A392 PolarHBondContact NZ-O 2.86Å; S389-A392 WeakPolarHBondContact O-CB 3.39Å; S389-A392 PolarHBondContact O-N 2.83Å; S389-A392 VanDerWaalsContact O-N 3.14Å; A392-L417 CarbonylContact C-O 3.57Å; A392-L417 WeakPolarHBondContact CA-O 3.48Å; A392-V419 HydrophobicContact CB-CB 4.27Å; A392-V419 HydrophobicContact CB-CG2 4.16Å | ||
| 393 | G | 94.4 | Very high | 93.7 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142 | -177 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y395 L417 | G393-Y395 WeakPolarHBondContact O-CD2 3.47Å; G393-L417 PolarHBondContact N-O 3.11Å; G393-L417 PolarHBondContact O-N 2.88Å |
| 394 | T | 96.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 128.4 | -177.3 | -33.6 | 0 | 0 | 0 | 0 | 112.3 | K359 E360 P414 E416 | K359-T394 CarbonylContact C-O 3.58Å; K359-T394 VanDerWaalsContact CA-O 3.31Å; K359-T394 WeakPolarHBondContact CA-O 3.09Å; E360-T394 HydrophobicContact CG-CG2 4.41Å; E360-T394 PolarHBondContact N-O 3.11Å; E360-T394 WeakPolarHBondContact OE2-CB 3.4Å; E360-T394 WeakPolarHBondContact OE2-CG2 3.17Å; E360-T394 PolarHBondContact OE2-OG1 2.02Å; T394-P414 HydrophobicContact CG2-CB 3.6Å; T394-E416 HydrophobicContact CG2-CG 4.16Å |
| 395 | Y | 96.2 | Very high | 93.3 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145.6 | 175.6 | -70.9 | -95.7 | 0 | 0 | 0 | 112 | L344 L357 T358 K359 M384 H391 G393 L415 L417 | L344-Y395 HydrophobicContact CD1-CD1 3.76Å; L344-Y395 HydrophobicContact CD1-CD2 4.28Å; L344-Y395 HydrophobicContact CD1-CE1 4.08Å; L344-Y395 HydrophobicContact CD1-CG 3.86Å; L357-Y395 HydrophobicContact CD1-CD1 4.1Å; L357-Y395 HydrophobicContact CD2-CD1 4.13Å; L357-Y395 HydrophobicContact CD2-CE1 4.44Å; L357-Y395 HydrophobicContact CG-CD1 4.08Å; T358-Y395 VanDerWaalsContact O-CA 3.26Å; T358-Y395 WeakPolarHBondContact O-CA 3.29Å; T358-Y395 WeakPolarHBondContact O-CD1 3.44Å; K359-Y395 HydrophobicContact CB-CD1 4.03Å; K359-Y395 HydrophobicContact CB-CE1 3.78Å; K359-Y395 HydrophobicContact CD-CE1 4.36Å; K359-Y395 HydrophobicContact CD-CE2 4.39Å; K359-Y395 HydrophobicContact CG-CD1 4.34Å; K359-Y395 HydrophobicContact CG-CD2 4.49Å; K359-Y395 HydrophobicContact CG-CE1 3.98Å; K359-Y395 HydrophobicContact CG-CE2 4.1Å; M384-Y395 HydrophobicContact SD-CE1 4.23Å; H391-Y395 WeakPolarHBondContact O-CE2 3.21Å; H391-Y395 PolarHBondContact O-OH 2.85Å; G393-Y395 WeakPolarHBondContact O-CD2 3.47Å; Y395-L415 PolarHBondContact N-O 2.89Å; Y395-L415 PolarHBondContact O-N 2.81Å; Y395-L417 HydrophobicContact CD2-CB 4.31Å; Y395-L417 HydrophobicContact CE2-CB 4.11Å |
| 396 | R | 97 | Very high | 93.5 | Very high | 62 Ų | 62 | 45 Ų | 45 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.2 | 166.2 | -67.5 | -168.9 | -161.7 | 81.8 | 5.8 | 110.8 | T358 E360 Y398 S412 P414 | T358-R396 PolarHBondContact N-O 3.49Å; T358-R396 PolarHBondContact O-N 2.78Å; T358-R396 PolarHBondContact OG1-O 2.76Å; E360-R396 IonicContact OE1-CZ 2.68Å; E360-R396 IonicContact OE1-NH1 2.58Å; E360-R396 PolarHBondContact OE1-NH1 2.9Å; E360-R396 IonicContact OE1-NH2 2.74Å; E360-R396 PolarHBondContact OE1-NH2 2.86Å; R396-Y398 HydrophobicContact CB-CE2 4.42Å; R396-S412 WeakPolarHBondContact CA-OG 3.42Å; R396-P414 HydrophobicContact CG-CB 4.36Å |
| 397 | C | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 160.9 | 175.5 | 80.5 | 0 | 0 | 0 | 0 | 113.2 | V326 L328 C346 L356 L357 S412 | V326-C397 WeakPolarHBondContact CG2-O 3.25Å; L328-C397 HydrophobicContact CD1-CB 4.15Å; L328-C397 HydrophobicContact CD2-CB 4.45Å; C346-C397 HydrophobicContact CB-CB 3.62Å; C346-C397 WeakPolarHBondContact CB-SG 3.22Å; C346-C397 WeakPolarHBondContact SG-CB 3.28Å; C346-C397 CovalentContact SG-SG 2.03Å; C346-C397 PolarHBondContact SG-SG 2.92Å; L356-C397 CarbonylContact O-C 3.58Å; L356-C397 WeakPolarHBondContact O-CA 3.24Å; L356-C397 WeakPolarHBondContact O-CB 3.43Å; L357-C397 HydrophobicContact CD1-CB 4.17Å; C397-S412 PolarHBondContact N-OG 2.98Å; C397-S412 PolarHBondContact O-N 3.35Å |
| 398 | Y | 97.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 146.3 | -176 | -57.3 | -98.4 | 0 | 0 | 0 | 110.3 | I235 A319 F355 L356 T358 R396 L408 P411 | I235-Y398 HydrophobicContact CD1-CD2 3.76Å; I235-Y398 HydrophobicContact CD1-CE2 3.6Å; I235-Y398 HydrophobicContact CD1-CG 4.46Å; I235-Y398 HydrophobicContact CG2-CE1 3.91Å; I235-Y398 HydrophobicContact CG2-CE2 4.31Å; A319-Y398 HydrophobicContact CB-CE1 4.16Å; F355-Y398 CarbonylContact C-O 3.53Å; F355-Y398 VanDerWaalsContact CA-O 3.24Å; F355-Y398 WeakPolarHBondContact CA-O 3.34Å; L356-Y398 PolarHBondContact N-O 3.19Å; L356-Y398 PolarHBondContact O-N 3.34Å; T358-Y398 HydrophobicContact CG2-CE2 4.39Å; R396-Y398 HydrophobicContact CB-CE2 4.42Å; Y398-L408 HydrophobicContact CD1-CB 4.13Å; Y398-L408 HydrophobicContact CD1-CD1 4.05Å; Y398-L408 HydrophobicContact CD2-CD1 4.49Å; Y398-L408 HydrophobicContact CG-CB 4.45Å; Y398-L408 HydrophobicContact CG-CD1 3.96Å; Y398-P411 HydrophobicContact CD1-CB 4.28Å; Y398-P411 HydrophobicContact CE1-CB 3.56Å; Y398-P411 HydrophobicContact CE1-CG 4.28Å |
| 399 | G | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 152.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L408 T409 | G399-L408 WeakPolarHBondContact O-CA 3.32Å; G399-T409 PolarHBondContact N-OG1 3.37Å; G399-T409 PolarHBondContact O-N 2.84Å |
| 400 | S | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 165 | 173 | -161.9 | 0 | 0 | 0 | 0 | 112.9 | Q353 T354 L407 | Q353-S400 PolarHBondContact N-O 2.98Å; T354-S400 PolarHBondContact N-O 3.3Å; T354-S400 PolarHBondContact O-N 3.22Å; S400-L407 PolarHBondContact OG-O 3.27Å |
| 401 | Q | 92.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | trans | -134.2 | 134.4 | -175.6 | -60.9 | -178.5 | -6.1 | 0 | 0 | 109.2 | F322 W351 M352 S403 K404 | F322-Q401 HydrophobicContact CE1-CB 4.36Å; F322-Q401 VanDerWaalsContact CE1-CD 3.47Å; F322-Q401 HydrophobicContact CE1-CG 4.03Å; F322-Q401 VanDerWaalsContact CE1-OE1 3.24Å; F322-Q401 HydrophobicContact CZ-CB 4.12Å; F322-Q401 HydrophobicContact CZ-CG 4.08Å; W351-Q401 HydrophobicContact CE3-CG 3.98Å; W351-Q401 HydrophobicContact CZ3-CB 3.95Å; W351-Q401 HydrophobicContact CZ3-CG 3.66Å; W351-Q401 PolarHBondContact O-NE2 2.98Å; M352-Q401 HydrophobicContact SD-CG 4.14Å; Q401-S403 PolarHBondContact O-N 3.3Å; Q401-S403 VanDerWaalsContact O-N 3.09Å; Q401-K404 CarbonylContact O-C 3.59Å; Q401-K404 VanDerWaalsContact O-C 3.24Å; Q401-K404 PolarHBondContact O-N 2.88Å | ||
| 402 | S | 87.5 | Confident | 94.6 | Very high | 80 Ų | 80 | 33.9 Ų | 33.9 | 56% | 0.559 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.6 | -173.1 | 71.7 | 0 | 0 | 0 | 0 | 114.7 | Q353 K404 | Q353-S402 PolarHBondContact NE2-OG 2.67Å; Q353-S402 VanDerWaalsContact NE2-OG 3.11Å; Q353-S402 PolarHBondContact OE1-OG 2.71Å; S402-K404 PolarHBondContact O-N 3.41Å |
| 403 | S | 88.6 | Confident | 94.8 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 63% | 0.629 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -16.8 | 169.9 | 57 | 0 | 0 | 0 | 0 | 113.3 | Q401 | Q401-S403 PolarHBondContact O-N 3.3Å; Q401-S403 VanDerWaalsContact O-N 3.09Å |
| 404 | K | 90.5 | Very high | 94.9 | Very high | 75 Ų | 75 | 41 Ų | 41 | 33% | 0.326 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -146.6 | 59.1 | -174.6 | -68.2 | 168.4 | 179.5 | 174 | 0 | 109.9 | F322 Q401 S402 Y406 L407 | F322-K404 HydrophobicContact CE1-CD 3.66Å; F322-K404 HydrophobicContact CZ-CB 4.02Å; F322-K404 HydrophobicContact CZ-CD 3.69Å; Q401-K404 CarbonylContact O-C 3.59Å; Q401-K404 VanDerWaalsContact O-C 3.24Å; Q401-K404 PolarHBondContact O-N 2.88Å; S402-K404 PolarHBondContact O-N 3.41Å; K404-Y406 PolarHBondContact O-N 2.85Å; K404-Y406 VanDerWaalsContact O-N 3.09Å; K404-L407 HydrophobicContact CB-CB 4.2Å; K404-L407 HydrophobicContact CB-CD1 4.01Å; K404-L407 HydrophobicContact CB-CG 4.23Å; K404-L407 HydrophobicContact CD-CD1 4.26Å; K404-L407 HydrophobicContact CG-CD1 4.21Å; K404-L407 PolarHBondContact O-N 3.47Å |
| 405 | P | 89.9 | Confident | 95 | Very high | 53 Ų | 53 | 41 Ų | 41 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.9 | -161.6 | 28.9 | -36.8 | 0 | 0 | 0 | 115.3 | R368 | R368-P405 PolarHBondContact NH2-O 3.34Š|
| 406 | Y | 94.8 | Very high | 95 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 7.7 | 176.2 | -52.3 | -68.5 | 0 | 0 | 0 | 113.5 | Q294 L317 I318 K404 | Q294-Y406 HydrophobicContact CB-CE1 4.24Å; L317-Y406 WeakPolarHBondContact CA-O 3.37Å; L317-Y406 HydrophobicContact CD2-CD1 4.13Å; I318-Y406 PolarHBondContact N-O 3.07Å; K404-Y406 PolarHBondContact O-N 2.85Å; K404-Y406 VanDerWaalsContact O-N 3.09Å |
| 407 | L | 96.1 | Very high | 95 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -118 | 145.8 | -179.4 | -50.5 | -175.5 | 0 | 0 | 0 | 109.8 | R289 I318 Q321 F322 S400 K404 | R289-L407 HydrophobicContact CG-CD1 3.98Å; R289-L407 HydrophobicContact CG-CD2 3.94Å; I318-L407 HydrophobicContact CB-CD2 4Å; I318-L407 HydrophobicContact CG1-CD2 4.17Å; Q321-L407 HydrophobicContact CB-CB 3.84Å; Q321-L407 HydrophobicContact CB-CD1 4.35Å; Q321-L407 HydrophobicContact CG-CB 4.05Å; Q321-L407 HydrophobicContact CG-CD2 4.13Å; Q321-L407 HydrophobicContact CG-CG 4.47Å; F322-L407 HydrophobicContact CE2-CB 4.13Å; S400-L407 PolarHBondContact OG-O 3.27Å; K404-L407 HydrophobicContact CB-CB 4.2Å; K404-L407 HydrophobicContact CB-CD1 4.01Å; K404-L407 HydrophobicContact CB-CG 4.23Å; K404-L407 HydrophobicContact CD-CD1 4.26Å; K404-L407 HydrophobicContact CG-CD1 4.21Å; K404-L407 PolarHBondContact O-N 3.47Å |
| 408 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -130.9 | 159.6 | -173.8 | -61.1 | 179.2 | 0 | 0 | 0 | 111.8 | I235 L317 I318 G320 Q321 L356 Y398 G399 | I235-L408 HydrophobicContact CD1-CD1 3.71Å; I235-L408 HydrophobicContact CG1-CD1 4.03Å; I235-L408 HydrophobicContact CG2-CD1 3.8Å; L317-L408 HydrophobicContact CB-CD1 3.74Å; L317-L408 HydrophobicContact CB-CG 4.15Å; L317-L408 HydrophobicContact CD1-CD1 4.15Å; I318-L408 PolarHBondContact O-N 2.89Å; G320-L408 PolarHBondContact N-O 3.01Å; Q321-L408 WeakPolarHBondContact CB-O 3.48Å; Q321-L408 PolarHBondContact N-O 2.87Å; L356-L408 HydrophobicContact CD1-CD2 3.84Å; L356-L408 HydrophobicContact CD2-CD1 4.38Å; L356-L408 HydrophobicContact CD2-CD2 3.97Å; L356-L408 HydrophobicContact CG-CD2 4.48Å; Y398-L408 HydrophobicContact CD1-CB 4.13Å; Y398-L408 HydrophobicContact CD1-CD1 4.05Å; Y398-L408 HydrophobicContact CD2-CD1 4.49Å; Y398-L408 HydrophobicContact CG-CB 4.45Å; Y398-L408 HydrophobicContact CG-CD1 3.96Å; G399-L408 WeakPolarHBondContact O-CA 3.32Å | ||
| 409 | T | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -59.1 | 176.2 | 167.1 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | G320 F322 D324 V326 M352 G399 | G320-T409 PolarHBondContact N-O 3.22Å; F322-T409 HydrophobicContact CB-CG2 4.22Å; F322-T409 HydrophobicContact CD2-CG2 4.44Å; D324-T409 HydrophobicContact CB-CG2 4.44Å; V326-T409 HydrophobicContact CG1-CG2 4.14Å; M352-T409 HydrophobicContact CE-CG2 3.61Å; M352-T409 HydrophobicContact SD-CG2 3.93Å; G399-T409 PolarHBondContact N-OG1 3.37Å; G399-T409 PolarHBondContact O-N 2.84Å | ||
| 410 | H | 95.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 152.3 | 154.4 | -69.3 | -83.1 | 0 | 0 | 0 | 110.1 | R325 | R325-H410 VanDerWaalsContact CZ-CD2 3.43Å; R325-H410 VanDerWaalsContact CZ-CG 3.4Å; R325-H410 PolarHBondContact NH2-CD2 2.92Å; R325-H410 VanDerWaalsContact NH2-CD2 3.25Å; R325-H410 PolarHBondContact NH2-NE2 2.9Å |
| 411 | P | 96.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 52.1 Ų | 52.1 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 155.6 | 171.5 | 25.2 | -34.4 | 0 | 0 | 0 | 111.7 | Y398 | Y398-P411 HydrophobicContact CD1-CB 4.28Å; Y398-P411 HydrophobicContact CE1-CB 3.56Å; Y398-P411 HydrophobicContact CE1-CG 4.28Å |
| 412 | S | 97.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 165.3 | 158.2 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | V326 R396 C397 | V326-S412 WeakPolarHBondContact O-CA 3.48Å; R396-S412 WeakPolarHBondContact CA-OG 3.42Å; C397-S412 PolarHBondContact N-OG 2.98Å; C397-S412 PolarHBondContact O-N 3.35Å |
| 413 | D | 97.1 | Very high | 90 | Very high | 134 Ų | 134 | 58.7 Ų | 58.7 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 148.7 | 158.4 | -60.4 | -49.7 | 0 | 0 | 0 | 110.4 | ||
| 414 | P | 97.1 | Very high | 87.9 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 137.8 | 177.1 | 27.5 | -32.9 | 0 | 0 | 0 | 111.8 | T394 R396 | T394-P414 HydrophobicContact CG2-CB 3.6Å; R396-P414 HydrophobicContact CG-CB 4.36Å |
| 415 | L | 97.5 | Very high | 85.2 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 109.8 | 172.7 | -169.6 | 159.4 | 0 | 0 | 0 | 109 | L328 V330 L344 Y395 | L328-L415 HydrophobicContact CD2-CB 3.89Å; L328-L415 HydrophobicContact CG-CB 4.18Å; L328-L415 HydrophobicContact CG-CD1 4.01Å; V330-L415 HydrophobicContact CB-CD1 3.86Å; V330-L415 HydrophobicContact CB-CD2 4.13Å; V330-L415 HydrophobicContact CG1-CD1 3.95Å; V330-L415 HydrophobicContact CG1-CD2 4.15Å; L344-L415 HydrophobicContact CD2-CD1 3.98Å; L344-L415 HydrophobicContact CD2-CD2 3.9Å; Y395-L415 PolarHBondContact N-O 2.89Å; Y395-L415 PolarHBondContact O-N 2.81Å |
| 416 | E | 97 | Very high | 83 | Confident | 129 Ų | 129 | 60.5 Ų | 60.5 | 60% | 0.603 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.5 | 172.6 | -67.6 | -171.9 | -175.6 | 0 | 0 | 110.8 | T394 | T394-E416 HydrophobicContact CG2-CG 4.16Å |
| 417 | L | 95.9 | Very high | 80.2 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.7 | 170.6 | -171.7 | 75.3 | 0 | 0 | 0 | 109.8 | V330 P334 V336 V342 M384 H391 A392 G393 Y395 V419 | V330-L417 HydrophobicContact CG2-CD1 4.17Å; P334-L417 WeakPolarHBondContact O-CA 3.24Å; V336-L417 HydrophobicContact CG2-CD1 4.14Å; V342-L417 HydrophobicContact CG1-CD1 4.17Å; M384-L417 HydrophobicContact CE-CD2 3.76Å; H391-L417 HydrophobicContact CB-CD2 4.4Å; A392-L417 CarbonylContact C-O 3.57Å; A392-L417 WeakPolarHBondContact CA-O 3.48Å; G393-L417 PolarHBondContact N-O 3.11Å; G393-L417 PolarHBondContact O-N 2.88Å; Y395-L417 HydrophobicContact CD2-CB 4.31Å; Y395-L417 HydrophobicContact CE2-CB 4.11Å; L417-V419 HydrophobicContact CD2-CG2 4.13Å; L417-V419 HydrophobicContact CG-CG2 4.31Å |
| 418 | V | 95.6 | Very high | 77.3 | Confident | 72 Ų | 72 | 67 Ų | 67 | 44% | 0.436 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.4 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | P334 T335 V336 | P334-V418 PolarHBondContact O-N 2.85Å; T335-V418 WeakPolarHBondContact CA-O 3.19Å; T335-V418 HydrophobicContact CG2-CB 4.39Å; T335-V418 HydrophobicContact CG2-CG1 4.46Å; V336-V418 PolarHBondContact N-O 2.74Å |
| 419 | V | 93.6 | Very high | 74.6 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 11% | 0.109 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 113.4 | 178.2 | -174.4 | 0 | 0 | 0 | 0 | 110 | V336 V387 A392 L417 | V336-V419 HydrophobicContact CG2-CG2 4.08Å; V336-V419 WeakPolarHBondContact O-CA 3.49Å; V387-V419 HydrophobicContact CB-CG1 4.46Å; V387-V419 HydrophobicContact CB-CG2 4.2Å; V387-V419 HydrophobicContact CG2-CG1 3.78Å; V387-V419 HydrophobicContact CG2-CG2 3.93Å; A392-V419 HydrophobicContact CB-CB 4.27Å; A392-V419 HydrophobicContact CB-CG2 4.16Å; L417-V419 HydrophobicContact CD2-CG2 4.13Å; L417-V419 HydrophobicContact CG-CG2 4.31Å |
| 420 | S | 89.3 | Confident | 71.6 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 136.3 | 178 | -62 | 0 | 0 | 0 | 0 | 111.5 | V336 S338 | V336-S420 PolarHBondContact O-N 2.59Å; S338-S420 PolarHBondContact N-O 3.06Å |
| 421 | G | 73.8 | Confident | 68.7 | Low | 59 Ų | 59 | 83 Ų | 83 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 157.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S423 | G421-S423 PolarHBondContact O-N 2.7Š|
| 422 | P | 61.3 | Low | 65.5 | Low | 112 Ų | 112 | 84.2 Ų | 84.2 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 119.9 | -177 | 26 | -34.3 | 0 | 0 | 0 | 111.4 | G424 | P422-G424 PolarHBondContact O-N 2.8Š|
| 423 | S | 48.8 | Very low | 63 | Low | 136 Ų | 136 | 89.2 Ų | 89.2 | 95% | 0.951 | 61% | 0.609 | S | S | * | * | trans | -75.1 | 57.9 | 171.9 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | G421 | G421-S423 PolarHBondContact O-N 2.7Š| ||
| 424 | G | 43.4 | Very low | 59.7 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | trans | -115.1 | 99.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P422 | P422-G424 PolarHBondContact O-N 2.8Š| ||
| 425 | G | 34.7 | Very low | 56.4 | Low | 62 Ų | 62 | 90.1 Ų | 90.1 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | trans | -65 | 152.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111 | S427 | G425-S427 PolarHBondContact O-N 2.81Š| ||
| 426 | P | 43.3 | Very low | 53.1 | Low | 130 Ų | 130 | 95.9 Ų | 95.9 | 84% | 0.844 | 66% | 0.659 | S | S | * | * | trans | -71.8 | 94.8 | -171.3 | 28.6 | -35.4 | 0 | 0 | 0 | 112.4 | S428 | P426-S428 PolarHBondContact O-N 3.46Å; P426-S428 VanDerWaalsContact O-N 3.11Å | ||
| 427 | S | 35.1 | Very low | 50.1 | Low | 115 Ų | 115 | 95.1 Ų | 95.1 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | -72.9 | 95.9 | 167.6 | 57.3 | 0 | 0 | 0 | 0 | 110 | G425 | G425-S427 PolarHBondContact O-N 2.81Š| ||
| 428 | S | 35.5 | Very low | 46.9 | Very low | 104 Ų | 104 | 99.8 Ų | 99.8 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.8 | 179.2 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | P426 | P426-S428 PolarHBondContact O-N 3.46Å; P426-S428 VanDerWaalsContact O-N 3.11Å |
| 429 | P | 41.7 | Very low | 43.7 | Very low | 124 Ų | 124 | 99.6 Ų | 99.6 | 81% | 0.805 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 128.7 | 164.3 | -16.3 | 30.7 | 0 | 0 | 0 | 110.4 | T431 | P429-T431 PolarHBondContact O-N 3.44Š|
| 430 | T | 32.4 | Very low | 42.2 | Very low | 143 Ų | 143 | 104.5 Ų | 104.5 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 129.4 | 178.5 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 431 | T | 35.7 | Very low | 39.6 | Very low | 136 Ų | 136 | 109.9 Ų | 109.9 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.7 | 177.9 | -24.3 | 0 | 0 | 0 | 0 | 112.3 | P429 | P429-T431 PolarHBondContact O-N 3.44Š|
| 432 | G | 29.7 | Very low | 37.5 | Very low | 73 Ų | 73 | 113.1 Ų | 113.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -152.8 | 101.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 433 | P | 43.7 | Very low | 36.2 | Very low | 110 Ų | 110 | 115.7 Ų | 115.7 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -98.6 | 177.1 | -177.9 | 38 | -34.7 | 0 | 0 | 0 | 113.1 | ||||
| 434 | T | 28.6 | Very low | 36.1 | Very low | 131 Ų | 131 | 114 Ų | 114 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 90.1 | 132.4 | 166.9 | -39.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 435 | S | 28.2 | Very low | 35.7 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -169.6 | 173 | -24.2 | -98.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 436 | T | 28.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | trans | 87.6 | 136.1 | 152.1 | -52.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 437 | S | 32.6 | Very low | 35.8 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -106.4 | 141.8 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 438 | A | 30.4 | Very low | 35.5 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -162.2 | 140.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 439 | G | 27.4 | Very low | 35.4 | Very low | 68 Ų | 68 | 120.3 Ų | 120.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -118.7 | -151.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 440 | P | 61.4 | Low | 34.9 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -131.3 | -128.2 | -3.4 | 39.6 | -18.7 | 0 | 0 | 0 | 110.5 | ||||
| 441 | E | 34.8 | Very low | 35.1 | Very low | 169 Ų | 169 | 121.4 Ų | 121.4 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 69.7 | 148 | 174.9 | -64.9 | -173.7 | 164.4 | 0 | 0 | 115.1 | ||||
| 442 | D | 29.6 | Very low | 36 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | cis | 166.2 | 162.4 | -21.5 | -103.4 | 18.8 | 0 | 0 | 0 | 103 | ||||
| 443 | Q | 35.2 | Very low | 36.5 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | cis | -153.2 | -173.9 | 1.4 | -121.5 | 178.6 | 57 | 0 | 0 | 108.4 | ||||
| 444 | P | 47.1 | Very low | 36.6 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | trans | -109.8 | -167.9 | -158.8 | 44.5 | -41.7 | 0 | 0 | 0 | 114.9 | ||||
| 445 | L | 34.9 | Very low | 37.5 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -154.6 | 152.9 | 137.6 | -108.1 | 164.8 | 0 | 0 | 0 | 111.9 | ||||
| 446 | T | 28.9 | Very low | 38.5 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 79% | 0.785 | S | S | * | * | trans | -137.7 | -157.6 | -175.4 | 65.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 447 | P | 50.5 | Low | 39.7 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -133.6 | 159.8 | -26.3 | 35.6 | -18.9 | 0 | 0 | 0 | 114.9 | ||||
| 448 | T | 29.5 | Very low | 40.9 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | trans | -166.3 | 138.8 | 145.7 | -9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 449 | G | 32.3 | Very low | 42.2 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | 173.2 | 155.3 | -11.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 450 | S | 32.5 | Very low | 43.8 | Very low | 135 Ų | 135 | 133 Ų | 133 | 94% | 0.944 | 77% | 0.772 | S | S | * | * | trans | 72.3 | 144.4 | 176.5 | 74.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 451 | D | 36.6 | Very low | 43.9 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -153.8 | 163.9 | 172.7 | -159.2 | 32.5 | 0 | 0 | 0 | 103.3 | ||||
| 452 | P | 54.8 | Low | 45.7 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 60% | 0.604 | 75% | 0.748 | S | S | * | * | cis | -140.8 | -163.5 | 9.2 | 43.7 | -23.5 | 0 | 0 | 0 | 116.3 | ||||
| 453 | Q | 39.9 | Very low | 47.8 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | 89.1 | 138.9 | 147 | -85.2 | -179.3 | -29.4 | 0 | 0 | 123.2 | ||||
| 454 | S | 46.1 | Very low | 49.9 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 88% | 0.881 | 73% | 0.726 | S | S | * | * | trans | 79.6 | 95.9 | 154.8 | 73.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 455 | G | 46.3 | Very low | 51.4 | Low | 76 Ų | 76 | 117.6 Ų | 117.6 | 78% | 0.784 | 72% | 0.715 | S | S | * | * | trans | -121 | 0 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | G457 | G455-G457 PolarHBondContact O-N 2.71Š| ||
| 456 | L | 50.2 | Low | 53.9 | Low | 174 Ų | 174 | 114.5 Ų | 114.5 | 91% | 0.911 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 21 | -169.7 | -152.3 | 73.4 | 0 | 0 | 0 | 114.8 | ||
| 457 | G | 53.8 | Low | 56.7 | Low | 68 Ų | 68 | 114.2 Ų | 114.2 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -21.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | G455 | G455-G457 PolarHBondContact O-N 2.71Š|
| 458 | R | 58.1 | Low | 58.6 | Low | 222 Ų | 222 | 112.6 Ų | 112.6 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -98 | -27.5 | -166 | -84.5 | -176.5 | 164.8 | -176.1 | -5.1 | 116.7 | ||
| 459 | H | 57.3 | Low | 61.5 | Low | 159 Ų | 159 | 107.9 Ų | 107.9 | 74% | 0.736 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.3 | -30.7 | -178.1 | -72.8 | -78.6 | 0 | 0 | 0 | 113.8 | G461 V462 V463 | H459-G461 PolarHBondContact O-N 3.05Å; H459-V462 PolarHBondContact O-N 2.83Å; H459-V463 PolarHBondContact O-N 2.97Å |
| 460 | L | 59.4 | Low | 64.3 | Low | 121 Ų | 121 | 108.5 Ų | 108.5 | 63% | 0.634 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.3 | -41.6 | -176 | -156 | 76.8 | 0 | 0 | 0 | 112.3 | V462 V463 I464 | L460-V462 VanDerWaalsContact C-N 3.33Å; L460-V462 PolarHBondContact O-N 2.84Å; L460-V463 PolarHBondContact O-N 2.8Å; L460-I464 HydrophobicContact CD2-CD1 4.19Å; L460-I464 HydrophobicContact CG-CD1 3.97Å; L460-I464 WeakPolarHBondContact O-CB 3.37Å; L460-I464 VanDerWaalsContact O-CG1 3.28Å; L460-I464 WeakPolarHBondContact O-CG1 3.44Å; L460-I464 PolarHBondContact O-N 2.75Å |
| 461 | G | 64.4 | Low | 67.1 | Low | 50 Ų | 50 | 106.4 Ų | 106.4 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.3 | -34.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H459 G465 | H459-G461 PolarHBondContact O-N 3.05Å; G461-G465 PolarHBondContact O-N 2.98Å |
| 462 | V | 71.8 | Confident | 69.7 | Low | 90 Ų | 90 | 104.1 Ų | 104.1 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.7 | -44.8 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | H459 L460 G465 I466 | H459-V462 PolarHBondContact O-N 2.83Å; L460-V462 VanDerWaalsContact C-N 3.33Å; L460-V462 PolarHBondContact O-N 2.84Å; V462-G465 PolarHBondContact O-N 3.12Å; V462-I466 HydrophobicContact CG1-CD1 4.05Å; V462-I466 WeakPolarHBondContact O-CG1 3.48Å; V462-I466 PolarHBondContact O-N 2.9Å |
| 463 | V | 74.8 | Confident | 71.6 | Confident | 87 Ų | 87 | 104.8 Ų | 104.8 | 53% | 0.527 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.2 | -43.4 | 177.1 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | H459 L460 I466 L467 | H459-V463 PolarHBondContact O-N 2.97Å; L460-V463 PolarHBondContact O-N 2.8Å; V463-I466 PolarHBondContact O-N 3.28Å; V463-L467 PolarHBondContact O-N 3.29Å |
| 464 | I | 78.3 | Confident | 74 | Confident | 93 Ų | 93 | 101.3 Ų | 101.3 | 48% | 0.477 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.1 | -43.8 | 175.2 | -68.4 | 165.8 | 0 | 0 | 0 | 110.9 | L460 I466 L467 V468 | L460-I464 HydrophobicContact CD2-CD1 4.19Å; L460-I464 HydrophobicContact CG-CD1 3.97Å; L460-I464 WeakPolarHBondContact O-CB 3.37Å; L460-I464 VanDerWaalsContact O-CG1 3.28Å; L460-I464 WeakPolarHBondContact O-CG1 3.44Å; L460-I464 PolarHBondContact O-N 2.75Å; I464-I466 PolarHBondContact O-N 3.28Å; I464-L467 PolarHBondContact O-N 2.8Å; I464-V468 HydrophobicContact CG2-CG2 4.34Å; I464-V468 WeakPolarHBondContact O-CG2 3.03Å; I464-V468 PolarHBondContact O-N 2.89Å |
| 465 | G | 80 | Confident | 76.1 | Confident | 41 Ų | 41 | 100 Ų | 100 | 42% | 0.423 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.5 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | G461 V462 A469 | G461-G465 PolarHBondContact O-N 2.98Å; V462-G465 PolarHBondContact O-N 3.12Å; G465-A469 WeakPolarHBondContact O-CB 3.19Å; G465-A469 PolarHBondContact O-N 3.46Å |
| 466 | I | 86.5 | Confident | 78.3 | Confident | 104 Ų | 104 | 101.5 Ų | 101.5 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.6 | -44.2 | 174.9 | -66.9 | 166.4 | 0 | 0 | 0 | 110.8 | V462 V463 I464 V468 A469 V470 | V462-I466 HydrophobicContact CG1-CD1 4.05Å; V462-I466 WeakPolarHBondContact O-CG1 3.48Å; V462-I466 PolarHBondContact O-N 2.9Å; V463-I466 PolarHBondContact O-N 3.28Å; I464-I466 PolarHBondContact O-N 3.28Å; I466-V468 PolarHBondContact O-N 2.84Å; I466-A469 PolarHBondContact O-N 2.76Å; I466-V470 WeakPolarHBondContact O-CG2 3.35Å; I466-V470 PolarHBondContact O-N 2.98Å |
| 467 | L | 87.2 | Confident | 80.3 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 57% | 0.565 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.1 | -45.9 | 178.2 | -131.1 | 79.1 | 0 | 0 | 0 | 111.8 | V463 I464 V470 I471 | V463-L467 PolarHBondContact O-N 3.29Å; I464-L467 PolarHBondContact O-N 2.8Å; L467-V470 PolarHBondContact O-N 3.42Å; L467-I471 WeakPolarHBondContact O-CD1 3.22Å; L467-I471 VanDerWaalsContact O-CG1 3.26Å; L467-I471 WeakPolarHBondContact O-CG1 3.48Å; L467-I471 PolarHBondContact O-N 2.82Å |
| 468 | V | 90.3 | Very high | 82.1 | Confident | 73 Ų | 73 | 99.3 Ų | 99.3 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 177.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | I464 I466 V470 I471 L472 | I464-V468 HydrophobicContact CG2-CG2 4.34Å; I464-V468 WeakPolarHBondContact O-CG2 3.03Å; I464-V468 PolarHBondContact O-N 2.89Å; I466-V468 PolarHBondContact O-N 2.84Å; V468-V470 PolarHBondContact O-N 2.8Å; V468-I471 PolarHBondContact O-N 3.49Å; V468-L472 HydrophobicContact CG1-CD1 3.89Å; V468-L472 HydrophobicContact CG1-CG 4.35Å; V468-L472 WeakPolarHBondContact O-CB 3.29Å; V468-L472 VanDerWaalsContact O-CG 3.29Å; V468-L472 WeakPolarHBondContact O-CG 3.46Å; V468-L472 PolarHBondContact O-N 3.27Å |
| 469 | A | 90.3 | Very high | 83.7 | Confident | 57 Ų | 57 | 93.8 Ų | 93.8 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G465 I466 L472 L473 | G465-A469 WeakPolarHBondContact O-CB 3.19Å; G465-A469 PolarHBondContact O-N 3.46Å; I466-A469 PolarHBondContact O-N 2.76Å; A469-L472 PolarHBondContact O-N 3.11Å; A469-L473 WeakPolarHBondContact O-CB 3.37Å; A469-L473 PolarHBondContact O-N 2.83Å |
| 470 | V | 92.5 | Very high | 85.3 | Confident | 74 Ų | 74 | 90.3 Ų | 90.3 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 176 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | I466 L467 V468 L473 L474 | I466-V470 WeakPolarHBondContact O-CG2 3.35Å; I466-V470 PolarHBondContact O-N 2.98Å; L467-V470 PolarHBondContact O-N 3.42Å; V468-V470 PolarHBondContact O-N 2.8Å; V470-L473 PolarHBondContact O-N 2.83Å; V470-L474 HydrophobicContact CG1-CD1 4.04Å; V470-L474 WeakPolarHBondContact O-CG 3.46Å; V470-L474 PolarHBondContact O-N 3.47Å |
| 471 | I | 91.4 | Very high | 86.7 | Confident | 91 Ų | 91 | 89.7 Ų | 89.7 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.8 | -69.8 | 163.6 | 0 | 0 | 0 | 111.1 | L467 V468 L474 L475 | L467-I471 WeakPolarHBondContact O-CD1 3.22Å; L467-I471 VanDerWaalsContact O-CG1 3.26Å; L467-I471 WeakPolarHBondContact O-CG1 3.48Å; L467-I471 PolarHBondContact O-N 2.82Å; V468-I471 PolarHBondContact O-N 3.49Å; I471-L474 PolarHBondContact O-N 2.85Å; I471-L475 HydrophobicContact CG2-CD1 4.06Å; I471-L475 WeakPolarHBondContact O-CG 3.3Å; I471-L475 PolarHBondContact O-N 2.82Å |
| 472 | L | 91.2 | Very high | 87.7 | Confident | 105 Ų | 105 | 92 Ų | 92 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176 | -72.7 | 170.7 | 0 | 0 | 0 | 111.9 | V468 A469 L475 L476 | V468-L472 HydrophobicContact CG1-CD1 3.89Å; V468-L472 HydrophobicContact CG1-CG 4.35Å; V468-L472 WeakPolarHBondContact O-CB 3.29Å; V468-L472 VanDerWaalsContact O-CG 3.29Å; V468-L472 WeakPolarHBondContact O-CG 3.46Å; V468-L472 PolarHBondContact O-N 3.27Å; A469-L472 PolarHBondContact O-N 3.11Å; L472-L475 PolarHBondContact O-N 3.3Å; L472-L476 WeakPolarHBondContact O-CB 3.23Å; L472-L476 PolarHBondContact O-N 2.98Å |
| 473 | L | 93.4 | Very high | 88.3 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -45.6 | 175.7 | -174.5 | 70.5 | 0 | 0 | 0 | 111.6 | A469 V470 L476 L477 | A469-L473 WeakPolarHBondContact O-CB 3.37Å; A469-L473 PolarHBondContact O-N 2.83Å; V470-L473 PolarHBondContact O-N 2.83Å; L473-L476 PolarHBondContact O-N 3.34Å; L473-L477 HydrophobicContact CG-CD1 4.34Å; L473-L477 WeakPolarHBondContact O-CG 3.3Å; L473-L477 PolarHBondContact O-N 2.81Å |
| 474 | L | 90.8 | Very high | 88.7 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.5 | -72.3 | 169.5 | 0 | 0 | 0 | 112.1 | V470 I471 L476 L477 L478 | V470-L474 HydrophobicContact CG1-CD1 4.04Å; V470-L474 WeakPolarHBondContact O-CG 3.46Å; V470-L474 PolarHBondContact O-N 3.47Å; I471-L474 PolarHBondContact O-N 2.85Å; L474-L476 VanDerWaalsContact C-N 3.35Å; L474-L476 PolarHBondContact O-N 3.05Å; L474-L477 PolarHBondContact O-N 2.89Å; L474-L478 WeakPolarHBondContact O-CB 3.39Å; L474-L478 PolarHBondContact O-N 2.89Å |
| 475 | L | 90.4 | Very high | 88.9 | Confident | 98 Ų | 98 | 94.5 Ų | 94.5 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 174.7 | -75 | 167.5 | 0 | 0 | 0 | 112.2 | I471 L472 L478 L479 | I471-L475 HydrophobicContact CG2-CD1 4.06Å; I471-L475 WeakPolarHBondContact O-CG 3.3Å; I471-L475 PolarHBondContact O-N 2.82Å; L472-L475 PolarHBondContact O-N 3.3Å; L475-L478 WeakPolarHBondContact O-CB 3.42Å; L475-L478 PolarHBondContact O-N 3.4Å; L475-L479 PolarHBondContact O-N 2.94Å |
| 476 | L | 92.4 | Very high | 88.5 | Confident | 107 Ų | 107 | 99.3 Ų | 99.3 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.4 | -40.5 | 179.2 | -146.9 | 166.1 | 0 | 0 | 0 | 111.3 | L472 L473 L474 L479 L480 | L472-L476 WeakPolarHBondContact O-CB 3.23Å; L472-L476 PolarHBondContact O-N 2.98Å; L473-L476 PolarHBondContact O-N 3.34Å; L474-L476 VanDerWaalsContact C-N 3.35Å; L474-L476 PolarHBondContact O-N 3.05Å; L476-L479 PolarHBondContact O-N 2.75Å; L476-L480 HydrophobicContact CD2-CD1 4.06Å; L476-L480 PolarHBondContact O-N 3.32Å |
| 477 | L | 92.2 | Very high | 87.8 | Confident | 99 Ų | 99 | 103.2 Ų | 103.2 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 171.8 | -70.3 | 170.6 | 0 | 0 | 0 | 112.3 | L473 L474 L480 F481 | L473-L477 HydrophobicContact CG-CD1 4.34Å; L473-L477 WeakPolarHBondContact O-CG 3.3Å; L473-L477 PolarHBondContact O-N 2.81Å; L474-L477 PolarHBondContact O-N 2.89Å; L477-L480 PolarHBondContact O-N 2.78Å; L477-F481 WeakPolarHBondContact O-CB 3.28Å; L477-F481 PolarHBondContact O-N 2.95Å |
| 478 | L | 91.8 | Very high | 86.9 | Confident | 98 Ų | 98 | 107.3 Ų | 107.3 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.6 | -118.6 | 168.1 | 0 | 0 | 0 | 111.8 | L474 L475 F481 L482 | L474-L478 WeakPolarHBondContact O-CB 3.39Å; L474-L478 PolarHBondContact O-N 2.89Å; L475-L478 WeakPolarHBondContact O-CB 3.42Å; L475-L478 PolarHBondContact O-N 3.4Å; L478-F481 PolarHBondContact O-N 2.81Å; L478-L482 HydrophobicContact CD2-CD1 4.4Å; L478-L482 HydrophobicContact CD2-CG 4.47Å; L478-L482 WeakPolarHBondContact O-CB 3.46Å; L478-L482 VanDerWaalsContact O-CG 3.32Å; L478-L482 WeakPolarHBondContact O-CG 3.3Å; L478-L482 PolarHBondContact O-N 3.4Å |
| 479 | L | 90.4 | Very high | 85.4 | Confident | 105 Ų | 105 | 110.3 Ų | 110.3 | 55% | 0.55 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 173.4 | -103.9 | 160.2 | 0 | 0 | 0 | 111.7 | L475 L476 F481 L482 I483 | L475-L479 PolarHBondContact O-N 2.94Å; L476-L479 PolarHBondContact O-N 2.75Å; L479-F481 PolarHBondContact O-N 2.93Å; L479-L482 PolarHBondContact O-N 2.99Å; L479-I483 HydrophobicContact CD2-CD1 4.39Å; L479-I483 WeakPolarHBondContact O-CB 3.41Å; L479-I483 WeakPolarHBondContact O-CD1 3.48Å; L479-I483 VanDerWaalsContact O-CG1 3.24Å; L479-I483 WeakPolarHBondContact O-CG1 3.42Å; L479-I483 PolarHBondContact O-N 3.4Å |
| 480 | L | 91.6 | Very high | 83.6 | Confident | 86 Ų | 86 | 109.5 Ų | 109.5 | 45% | 0.45 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 173.5 | -94.8 | 163.6 | 0 | 0 | 0 | 112 | L476 L477 I483 L484 | L476-L480 HydrophobicContact CD2-CD1 4.06Å; L476-L480 PolarHBondContact O-N 3.32Å; L477-L480 PolarHBondContact O-N 2.78Å; L480-I483 PolarHBondContact O-N 3.26Å; L480-L484 WeakPolarHBondContact O-CB 3.5Å; L480-L484 VanDerWaalsContact O-CG 3.22Å; L480-L484 WeakPolarHBondContact O-CG 3.36Å; L480-L484 PolarHBondContact O-N 2.73Å |
| 481 | F | 89.5 | Confident | 81.8 | Confident | 109 Ų | 109 | 114.3 Ų | 114.3 | 48% | 0.478 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -40.7 | 177 | -178.3 | -104 | 0 | 0 | 0 | 112.5 | L477 L478 L479 L484 R485 | L477-F481 WeakPolarHBondContact O-CB 3.28Å; L477-F481 PolarHBondContact O-N 2.95Å; L478-F481 PolarHBondContact O-N 2.81Å; L479-F481 PolarHBondContact O-N 2.93Å; F481-L484 PolarHBondContact O-N 3.4Å; F481-R485 HydrophobicContact CE1-CG 4.33Å; F481-R485 HydrophobicContact CZ-CG 4.49Å; F481-R485 VanDerWaalsContact CZ-NE 3.28Å; F481-R485 PolarHBondContact O-N 3.4Å |
| 482 | L | 85.7 | Confident | 79.6 | Confident | 99 Ų | 99 | 116.1 Ų | 116.1 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.1 | -42.1 | 174.9 | -71.3 | 171.4 | 0 | 0 | 0 | 111.9 | L478 L479 L484 R485 H486 | L478-L482 HydrophobicContact CD2-CD1 4.4Å; L478-L482 HydrophobicContact CD2-CG 4.47Å; L478-L482 WeakPolarHBondContact O-CB 3.46Å; L478-L482 VanDerWaalsContact O-CG 3.32Å; L478-L482 WeakPolarHBondContact O-CG 3.3Å; L478-L482 PolarHBondContact O-N 3.4Å; L479-L482 PolarHBondContact O-N 2.99Å; L482-L484 VanDerWaalsContact C-N 3.33Å; L482-L484 PolarHBondContact O-N 3.01Å; L482-R485 PolarHBondContact O-N 3.41Å; L482-H486 WeakPolarHBondContact O-CB 3.34Å; L482-H486 PolarHBondContact O-N 3.25Å |
| 483 | I | 84.1 | Confident | 77 | Confident | 84 Ų | 84 | 119.5 Ų | 119.5 | 43% | 0.431 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -39.3 | 174.1 | -69.6 | 163.8 | 0 | 0 | 0 | 110.8 | L479 L480 H486 R487 | L479-I483 HydrophobicContact CD2-CD1 4.39Å; L479-I483 WeakPolarHBondContact O-CB 3.41Å; L479-I483 WeakPolarHBondContact O-CD1 3.48Å; L479-I483 VanDerWaalsContact O-CG1 3.24Å; L479-I483 WeakPolarHBondContact O-CG1 3.42Å; L479-I483 PolarHBondContact O-N 3.4Å; L480-I483 PolarHBondContact O-N 3.26Å; I483-H486 PolarHBondContact O-N 3.45Å; I483-R487 WeakPolarHBondContact O-CB 3.49Å; I483-R487 WeakPolarHBondContact O-CG 3.45Å; I483-R487 PolarHBondContact O-N 3.06Å |
| 484 | L | 82.5 | Confident | 74.6 | Confident | 90 Ų | 90 | 119.2 Ų | 119.2 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.1 | -39.2 | 174.7 | -73.6 | 168.9 | 0 | 0 | 0 | 112 | L480 F481 L482 R488 | L480-L484 WeakPolarHBondContact O-CB 3.5Å; L480-L484 VanDerWaalsContact O-CG 3.22Å; L480-L484 WeakPolarHBondContact O-CG 3.36Å; L480-L484 PolarHBondContact O-N 2.73Å; F481-L484 PolarHBondContact O-N 3.4Å; L482-L484 VanDerWaalsContact C-N 3.33Å; L482-L484 PolarHBondContact O-N 3.01Å; L484-R488 VanDerWaalsContact O-CG 3.3Å; L484-R488 WeakPolarHBondContact O-CG 3.32Å; L484-R488 PolarHBondContact O-N 3.04Å |
| 485 | R | 83.1 | Confident | 72.2 | Confident | 148 Ų | 148 | 118.5 Ų | 118.5 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.9 | -45.4 | 170.7 | -81.2 | -169.6 | 170.5 | -149.8 | -1.4 | 111.6 | F481 L482 R487 R488 Q489 | F481-R485 HydrophobicContact CE1-CG 4.33Å; F481-R485 HydrophobicContact CZ-CG 4.49Å; F481-R485 VanDerWaalsContact CZ-NE 3.28Å; F481-R485 PolarHBondContact O-N 3.4Å; L482-R485 PolarHBondContact O-N 3.41Å; R485-R487 PolarHBondContact O-N 3.03Å; R485-R488 CarbonylContact O-C 3.59Å; R485-R488 PolarHBondContact O-N 3.45Å; R485-R488 VanDerWaalsContact O-N 3.11Å; R485-Q489 PolarHBondContact O-N 3.26Å |
| 486 | H | 71.7 | Confident | 70 | Confident | 141 Ų | 141 | 117.5 Ų | 117.5 | 65% | 0.653 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.8 | -39.1 | 177.9 | -163.8 | -94.3 | 0 | 0 | 0 | 111.9 | L482 I483 R488 Q489 G490 | L482-H486 WeakPolarHBondContact O-CB 3.34Å; L482-H486 PolarHBondContact O-N 3.25Å; I483-H486 PolarHBondContact O-N 3.45Å; H486-R488 VanDerWaalsContact C-N 3.33Å; H486-R488 PolarHBondContact O-N 3.01Å; H486-Q489 PolarHBondContact O-N 3.13Å; H486-G490 PolarHBondContact O-N 3.16Å |
| 487 | R | 72.4 | Confident | 67.3 | Low | 187 Ų | 187 | 119 Ų | 119 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.2 | -29.5 | 171.4 | -79.4 | -176.6 | 167 | -164 | -3.6 | 113.3 | I483 R485 K491 | I483-R487 WeakPolarHBondContact O-CB 3.49Å; I483-R487 WeakPolarHBondContact O-CG 3.45Å; I483-R487 PolarHBondContact O-N 3.06Å; R485-R487 PolarHBondContact O-N 3.03Å; R487-K491 WeakPolarHBondContact O-CG 3.45Å |
| 488 | R | 66.3 | Low | 64.7 | Low | 193 Ų | 193 | 125 Ų | 125 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.3 | -42.6 | 172.1 | -72.8 | 175.9 | -173.1 | -155.2 | 2.9 | 111.8 | L484 R485 H486 K491 H492 | L484-R488 VanDerWaalsContact O-CG 3.3Å; L484-R488 WeakPolarHBondContact O-CG 3.32Å; L484-R488 PolarHBondContact O-N 3.04Å; R485-R488 CarbonylContact O-C 3.59Å; R485-R488 PolarHBondContact O-N 3.45Å; R485-R488 VanDerWaalsContact O-N 3.11Å; H486-R488 VanDerWaalsContact C-N 3.33Å; H486-R488 PolarHBondContact O-N 3.01Å; R488-K491 PolarHBondContact O-N 2.94Å; R488-H492 PolarHBondContact O-N 3.4Å |
| 489 | Q | 59.2 | Low | 62.2 | Low | 136 Ų | 136 | 129.5 Ų | 129.5 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.8 | -37.8 | 177.2 | -74.6 | -178.8 | -33.1 | 0 | 0 | 112.8 | R485 H486 K491 H492 W493 | R485-Q489 PolarHBondContact O-N 3.26Å; H486-Q489 PolarHBondContact O-N 3.13Å; Q489-K491 PolarHBondContact O-N 3.33Å; Q489-H492 WeakPolarHBondContact O-CA 3.45Å; Q489-H492 WeakPolarHBondContact O-CB 3.47Å; Q489-H492 PolarHBondContact O-N 2.99Å; Q489-W493 PolarHBondContact O-N 2.77Å |
| 490 | G | 53.7 | Low | 59.5 | Low | 40 Ų | 40 | 128.5 Ų | 128.5 | 41% | 0.412 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.2 | -23.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | H486 | H486-G490 PolarHBondContact O-N 3.16Å |
| 491 | K | 54.8 | Low | 56.6 | Low | 176 Ų | 176 | 130.9 Ų | 130.9 | 77% | 0.765 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.6 | -14.4 | 169 | -75.5 | -172.9 | 174.2 | -167.8 | 0 | 114 | R487 R488 Q489 | R487-K491 WeakPolarHBondContact O-CG 3.45Å; R488-K491 PolarHBondContact O-N 2.94Å; Q489-K491 PolarHBondContact O-N 3.33Å |
| 492 | H | 44.3 | Very low | 53.9 | Low | 128 Ų | 128 | 135.9 Ų | 135.9 | 59% | 0.593 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -93 | -40.3 | 176.6 | -165.3 | -74.6 | 0 | 0 | 0 | 111.7 | R488 Q489 T494 S495 T496 | R488-H492 PolarHBondContact O-N 3.4Å; Q489-H492 WeakPolarHBondContact O-CA 3.45Å; Q489-H492 WeakPolarHBondContact O-CB 3.47Å; Q489-H492 PolarHBondContact O-N 2.99Å; H492-T494 VanDerWaalsContact C-N 3.28Å; H492-T494 PolarHBondContact O-N 3.03Å; H492-S495 WeakPolarHBondContact O-CB 3.43Å; H492-S495 PolarHBondContact O-N 3.39Å; H492-T496 PolarHBondContact O-OG1 3.34Å |
| 493 | W | 35.9 | Very low | 51.3 | Low | 176 Ų | 176 | 139.2 Ų | 139.2 | 67% | 0.667 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -56.9 | -39.3 | -176.8 | -169.2 | -100.6 | 0 | 0 | 0 | 113.2 | Q489 S495 T496 | Q489-W493 PolarHBondContact O-N 2.77Å; W493-S495 PolarHBondContact O-N 3.03Å; W493-T496 PolarHBondContact O-N 3.24Å; W493-T496 PolarHBondContact O-OG1 2.89Å; W493-T496 VanDerWaalsContact O-OG1 3.04Å |
| 494 | T | 44 | Very low | 48.6 | Very low | 103 Ų | 103 | 143 Ų | 143 | 63% | 0.632 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.6 | -8.7 | 178.9 | 47.3 | 0 | 0 | 0 | 0 | 114.7 | H492 | H492-T494 VanDerWaalsContact C-N 3.28Å; H492-T494 PolarHBondContact O-N 3.03Å |
| 495 | S | 41.2 | Very low | 46.8 | Very low | 86 Ų | 86 | 145 Ų | 145 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -89.2 | -43.3 | 172 | -173 | 0 | 0 | 0 | 0 | 111.9 | H492 W493 Q497 R498 | H492-S495 WeakPolarHBondContact O-CB 3.43Å; H492-S495 PolarHBondContact O-N 3.39Å; W493-S495 PolarHBondContact O-N 3.03Å; S495-Q497 VanDerWaalsContact C-N 3.32Å; S495-Q497 PolarHBondContact O-N 3.38Å; S495-R498 PolarHBondContact O-N 3.14Å |
| 496 | T | 42.6 | Very low | 44.3 | Very low | 76 Ų | 76 | 143 Ų | 143 | 47% | 0.466 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -65.2 | -29.2 | -175 | 24.4 | 0 | 0 | 0 | 0 | 114.3 | H492 W493 R498 | H492-T496 PolarHBondContact O-OG1 3.34Å; W493-T496 PolarHBondContact O-N 3.24Å; W493-T496 PolarHBondContact O-OG1 2.89Å; W493-T496 VanDerWaalsContact O-OG1 3.04Å; T496-R498 VanDerWaalsContact C-N 3.3Å; T496-R498 PolarHBondContact O-N 3.27Å |
| 497 | Q | 37.4 | Very low | 42.2 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -7.2 | -178 | -161.7 | 144.6 | 1.3 | 0 | 0 | 114.3 | S495 | S495-Q497 VanDerWaalsContact C-N 3.32Å; S495-Q497 PolarHBondContact O-N 3.38Å |
| 498 | R | 37.7 | Very low | 40.1 | Very low | 226 Ų | 226 | 135.5 Ų | 135.5 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 22.7 | 177.5 | -153.6 | -174.8 | -71.5 | 177.7 | -3.9 | 113.4 | S495 T496 | S495-R498 PolarHBondContact O-N 3.14Å; T496-R498 VanDerWaalsContact C-N 3.3Å; T496-R498 PolarHBondContact O-N 3.27Å |
| 499 | K | 37.8 | Very low | 38.4 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -141.5 | 13.9 | -179.3 | -152.2 | 170.3 | -178.8 | 176.6 | 0 | 114.4 | ||
| 500 | A | 33.4 | Very low | 36.9 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -105.6 | -21.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 501 | D | 30.7 | Very low | 36.3 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -100.1 | 133.1 | 171.3 | -68.2 | -58.6 | 0 | 0 | 0 | 110.6 | ||
| 502 | F | 34.1 | Very low | 35.4 | Very low | 213 Ų | 213 | 134.2 Ų | 134.2 | 93% | 0.934 | 75% | 0.749 | S | S | * | * | trans | 110.2 | 76.6 | 179.1 | -71.3 | -64.8 | 0 | 0 | 0 | 116.3 | ||||
| 503 | Q | 30.7 | Very low | 35.1 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -144.7 | 112 | 161.7 | -104.5 | -177.7 | -22.5 | 0 | 0 | 112.7 | ||||
| 504 | H | 28.1 | Very low | 34.9 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 72.4 | 162.6 | 164.9 | -46.9 | 107.3 | 0 | 0 | 0 | 117.9 | ||||
| 505 | P | 44.3 | Very low | 34.1 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | cis | -118.6 | -174.4 | -3.8 | 23.5 | -0.1 | 0 | 0 | 0 | 114.5 | ||||
| 506 | A | 30.1 | Very low | 33.5 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -97.9 | 166.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 507 | G | 27.8 | Very low | 32.7 | Very low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -171.5 | 120.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 508 | A | 28.3 | Very low | 32.3 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | 65.8 | 113.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 509 | V | 29.6 | Very low | 31.6 | Very low | 148 Ų | 148 | 135 Ų | 135 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 67.7 | 135.6 | 130.4 | -173.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 510 | G | 28 | Very low | 31 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -96.2 | -145.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 511 | P | 42.4 | Very low | 30.7 | Very low | 133 Ų | 133 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | -129.7 | -176.7 | 18.2 | 43.1 | -27.4 | 0 | 0 | 0 | 116.2 | ||||
| 512 | E | 34.9 | Very low | 30.6 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 167.6 | 162.3 | -111.3 | -173 | 103.5 | 0 | 0 | 112.3 | ||||
| 513 | P | 39.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | cis | -154.5 | 172 | 49 | 42.1 | -19.9 | 0 | 0 | 0 | 120.9 | ||||
| 514 | T | 30.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 71 | 117.8 | 145.8 | 37.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 515 | D | 26.7 | Very low | 31.7 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | 92.7 | 162.7 | 125.5 | -147.5 | 26.4 | 0 | 0 | 0 | 121.9 | |||||
| 516 | R | 30 | Very low | 31 | Very low | 223 Ų | 223 | 127.5 Ų | 127.5 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -47.6 | 151.3 | -163.5 | -51.7 | 123.8 | -164.2 | -123.6 | -2.5 | 117 | ||||
| 517 | G | 25.8 | Very low | 31 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 155.9 | 96.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 518 | L | 28 | Very low | 31.2 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -27.7 | 144.5 | 161.1 | -71.5 | 158.6 | 0 | 0 | 0 | 118.9 | ||||
| 519 | Q | 24.1 | Very low | 31.3 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | trans | 72.9 | 147 | 142.5 | -70.6 | 171.1 | 5.2 | 0 | 0 | 119 | ||||
| 520 | W | 24 | Very low | 31.2 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | cis | -158.6 | 168.7 | -8.5 | -143.8 | -50.2 | 0 | 0 | 0 | 110 | ||||
| 521 | R | 27.6 | Very low | 31.3 | Very low | 219 Ų | 219 | 137.8 Ų | 137.8 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | 80.3 | 146.4 | 150.4 | -94.3 | 177.9 | -172.6 | -97.2 | 1.3 | 116.5 | ||||
| 522 | S | 28.3 | Very low | 30.5 | Very low | 85 Ų | 85 | 137.3 Ų | 137.3 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | cis | -135 | -177.9 | -2.3 | -59.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 523 | S | 34.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | cis | -137 | -140.9 | 18.5 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 524 | P | 54.1 | Low | 29.5 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -133.1 | 169.8 | -116 | 41.7 | -22.5 | 0 | 0 | 0 | 118.4 | |||||
| 525 | A | 27.2 | Very low | 29.4 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 71.6 | 148.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 526 | A | 29.8 | Very low | 29.3 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | cis | -160.8 | 169.4 | -20.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 527 | D | 30.7 | Very low | 29.1 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -91.8 | 164.3 | -158.8 | -53 | -85.6 | 0 | 0 | 0 | 118 | ||||
| 528 | A | 32 | Very low | 29.2 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | 71.3 | 158.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 529 | Q | 29.1 | Very low | 29 | Very low | 155 Ų | 155 | 139 Ų | 139 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | cis | -169.9 | 144.2 | -29.9 | 179 | 171.6 | -22.6 | 0 | 0 | 109.8 | ||||
| 530 | E | 29.2 | Very low | 29.1 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | trans | 55.4 | 149.3 | 159.4 | -81.2 | 175.6 | 120.6 | 0 | 0 | 126.3 | ||||
| 531 | E | 29.4 | Very low | 29.4 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 55.9 | 122.3 | 144.9 | -70.3 | -143.4 | 128.1 | 0 | 0 | 125.7 | ||||
| 532 | N | 26 | Very low | 29.6 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | 75.8 | 146.1 | 126 | -69 | -23.2 | 0 | 0 | 0 | 125.3 | |||||
| 533 | L | 27.6 | Very low | 29.8 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 70.8 | 99.9 | 153.2 | -97.8 | 70.3 | 0 | 0 | 0 | 122.4 | ||||
| 534 | Y | 24.8 | Very low | 29.8 | Very low | 222 Ų | 222 | 136.4 Ų | 136.4 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | 55.4 | 120.7 | 120.2 | -86.9 | -92.4 | 0 | 0 | 0 | 123.1 | |||||
| 535 | A | 28.5 | Very low | 28.6 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | 113.8 | 136.4 | 116 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 536 | A | 26 | Very low | 28.7 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | 70.8 | 115.7 | 137.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 537 | V | 25.5 | Very low | 28.7 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -136.4 | 131.9 | 138.9 | 172.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 538 | K | 26.6 | Very low | 28.5 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -97.9 | 171.8 | 164.9 | -58.8 | -178.2 | 171.5 | -175.2 | 0 | 108.3 | ||||
| 539 | H | 24.2 | Very low | 28.3 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | cis | -167.3 | 146.3 | 25.1 | -126.9 | -67 | 0 | 0 | 0 | 107.5 | ||||
| 540 | T | 27.3 | Very low | 28.2 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -165.4 | 157.4 | 140.6 | 15.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 541 | Q | 28.6 | Very low | 28.2 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | trans | -110.1 | 175.4 | -176 | -148.1 | 177 | -4.8 | 0 | 0 | 110 | E543 | Q541-E543 HydrophobicContact CG-CG 4.35Å; Q541-E543 VanDerWaalsContact NE2-CG 3.25Å; Q541-E543 PolarHBondContact NE2-OE1 3.34Å | ||
| 542 | P | 32.1 | Very low | 28.1 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | -141.4 | 169.4 | 98.3 | 38.8 | -25.8 | 0 | 0 | 0 | 115.1 | |||||
| 543 | E | 33.2 | Very low | 28.8 | Very low | 143 Ų | 143 | 145 Ų | 145 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | -94.8 | 177.5 | 172.7 | -49.3 | -162.1 | 138.6 | 0 | 0 | 108.8 | Q541 | Q541-E543 HydrophobicContact CG-CG 4.35Å; Q541-E543 VanDerWaalsContact NE2-CG 3.25Å; Q541-E543 PolarHBondContact NE2-OE1 3.34Å | ||
| 544 | D | 33 | Very low | 28.9 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | cis | -123.8 | 158.2 | 13.3 | -58 | -70.5 | 0 | 0 | 0 | 111.1 | ||||
| 545 | G | 29 | Very low | 29.1 | Very low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | 103.8 | 136.2 | 81.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 546 | V | 29.3 | Very low | 29.2 | Very low | 157 Ų | 157 | 149 Ų | 149 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | cis | -142 | 165 | 24.7 | 167.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 547 | E | 30.7 | Very low | 29.6 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -94.4 | 151.8 | -168.7 | 158.4 | -177.2 | -135.2 | 0 | 0 | 115.3 | ||||
| 548 | M | 26.7 | Very low | 31 | Very low | 192 Ų | 192 | 149 Ų | 149 | 95% | 0.946 | 80% | 0.798 | S | S | * | * | trans | -164.7 | 140.1 | 132.8 | -110.5 | 180 | -170.4 | 0 | 0 | 115.9 | ||||
| 549 | D | 27.1 | Very low | 31.2 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | trans | -32.6 | 147.9 | 178.7 | -122.7 | -37.4 | 0 | 0 | 0 | 120.5 | ||||
| 550 | T | 28 | Very low | 31.4 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | -154.8 | 138.9 | 127.9 | -64.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 551 | R | 29.6 | Very low | 31.6 | Very low | 216 Ų | 216 | 144.9 Ų | 144.9 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -108.9 | 145.7 | -165 | -169.5 | -179 | -168.3 | 126 | -3.5 | 112.7 | ||||
| 552 | S | 26.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -121.9 | 150.2 | 164.2 | -73.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 553 | P | 40.2 | Very low | 31.4 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -84.2 | 165.1 | -178.8 | -8 | 27.5 | 0 | 0 | 0 | 113.8 | ||||
| 554 | H | 29.1 | Very low | 31.1 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -79.6 | 163.1 | 164.2 | -70.7 | -91.4 | 0 | 0 | 0 | 111.6 | ||||
| 555 | D | 29.9 | Very low | 30.8 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -127.7 | 153.3 | 153.3 | -125.4 | -27.5 | 0 | 0 | 0 | 107.8 | ||||
| 556 | E | 29.9 | Very low | 30.9 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -107 | 141.9 | -173.8 | -65.9 | -168.7 | 130.4 | 0 | 0 | 113.6 | ||||
| 557 | D | 34.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -81.2 | 177.2 | 162.1 | -150.3 | 40.1 | 0 | 0 | 0 | 107.9 | ||||
| 558 | P | 56.3 | Low | 30.6 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 60% | 0.597 | 78% | 0.78 | S | S | * | * | cis | -151.9 | -171.3 | 22.3 | 34.1 | -6.5 | 0 | 0 | 0 | 119.6 | ||||
| 559 | Q | 31.3 | Very low | 30.6 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 92.8 | 142.1 | 156.8 | -44.2 | -168.1 | 6.7 | 0 | 0 | 117.2 | ||||
| 560 | A | 27 | Very low | 30.8 | Very low | 85 Ų | 85 | 150.1 Ų | 150.1 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | cis | -144.5 | 143.2 | 14 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 561 | V | 32.5 | Very low | 31.6 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | 12.7 | 130.1 | 139.3 | -153.4 | 0 | 0 | 0 | 0 | 116.7 | Y563 | V561-Y563 HydrophobicContact CG1-CE2 4.39Š| ||
| 562 | T | 28.5 | Very low | 31.4 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | -171.4 | 139.2 | 77.8 | -54.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 563 | Y | 26.3 | Very low | 31.6 | Very low | 201 Ų | 201 | 156.1 Ų | 156.1 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | -10.5 | 131.8 | 161.3 | -61.4 | -87.6 | 0 | 0 | 0 | 119.6 | V561 | V561-Y563 HydrophobicContact CG1-CE2 4.39Š| ||
| 564 | A | 27.9 | Very low | 30.9 | Very low | 83 Ų | 83 | 159.1 Ų | 159.1 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | 80.5 | 150.5 | 79.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 565 | E | 27.7 | Very low | 30.9 | Very low | 175 Ų | 175 | 159.2 Ų | 159.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | cis | -162.1 | 161.9 | 2.2 | -137.8 | -167.6 | 131.3 | 0 | 0 | 113.2 | ||||
| 566 | V | 29.4 | Very low | 30.8 | Very low | 97 Ų | 97 | 156 Ų | 156 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | trans | 77.4 | 110.8 | 141.9 | 155.1 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 567 | K | 24.4 | Very low | 30.8 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | 55.9 | 111.8 | 132.8 | -56.2 | 173.1 | -176.6 | 166.1 | 0 | 124.4 | ||||
| 568 | H | 31 | Very low | 30.8 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | 53.6 | 126.9 | 121.7 | -55.7 | -49.1 | 0 | 0 | 0 | 123.7 | |||||
| 569 | S | 25.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -151.1 | 150.9 | 135.9 | -80.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 570 | R | 30.7 | Very low | 29.8 | Very low | 242 Ų | 242 | 149.3 Ų | 149.3 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -114.4 | 175 | 173.9 | -87.7 | -177.7 | 175.6 | 172.8 | -1.1 | 108.2 | ||||
| 571 | P | 44.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | cis | -134.2 | 172.5 | -40 | 38 | -23.5 | 0 | 0 | 0 | 112.2 | ||||
| 572 | R | 25.9 | Very low | 30.2 | Very low | 244 Ų | 244 | 153.4 Ų | 153.4 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -149.3 | 159.7 | 145.6 | -152.5 | 161.4 | 178.6 | 142.2 | -1.4 | 111.7 | ||||
| 573 | R | 30.6 | Very low | 30.4 | Very low | 236 Ų | 236 | 153.2 Ų | 153.2 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -129 | 117.4 | -170.2 | 173.3 | -164.7 | -167.6 | 176.9 | 5.3 | 108.3 | ||||
| 574 | E | 25.9 | Very low | 30.6 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -153.1 | 163.4 | 161.9 | -149.1 | 126.6 | -124.6 | 0 | 0 | 108.7 | ||||
| 575 | M | 29 | Very low | 30.8 | Very low | 187 Ų | 187 | 153 Ų | 153 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -139.9 | 124.1 | -158.1 | -170.6 | 168.2 | -179.2 | 0 | 0 | 111.3 | ||||
| 576 | A | 27.4 | Very low | 30.8 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | -141.3 | 140.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 577 | S | 30.8 | Very low | 30.9 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -80 | 155 | -174.8 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 578 | P | 34.2 | Very low | 31.1 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 148.4 | 179.1 | 32.6 | -35.7 | 0 | 0 | 0 | 112.7 | ||
| 579 | P | 35.6 | Very low | 31.1 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 151 | 165 | 34.3 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 580 | S | 30.3 | Very low | 31.3 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 153.8 | 169.4 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 581 | P | 40.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | -89.7 | -171.9 | -179.4 | 38.5 | -37.6 | 0 | 0 | 0 | 112.9 | ||||
| 582 | L | 28.8 | Very low | 30.5 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | 84.5 | 137.1 | -171.5 | -55.3 | 171.1 | 0 | 0 | 0 | 113.3 | ||||
| 583 | S | 31.4 | Very low | 30.7 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | -150 | 153.7 | -11.1 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 584 | G | 31.1 | Very low | 30.6 | Very low | 78 Ų | 78 | 143 Ų | 143 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -127 | 132.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 585 | E | 31.2 | Very low | 30.8 | Very low | 203 Ų | 203 | 142.2 Ų | 142.2 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -149.2 | 167.5 | 160.2 | -142.1 | 162.3 | -156.1 | 0 | 0 | 109.4 | ||||
| 586 | F | 27.4 | Very low | 30.8 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -119.9 | 160 | -154.2 | -128.4 | -106 | 0 | 0 | 0 | 114.3 | ||||
| 587 | L | 32.9 | Very low | 30.9 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -53.2 | 160 | 164.3 | -66.4 | 170.6 | 0 | 0 | 0 | 112 | ||||
| 588 | D | 28.8 | Very low | 31 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | cis | -171.7 | 155.5 | -7.3 | 158.5 | 53.3 | 0 | 0 | 0 | 107.1 | ||||
| 589 | T | 30.2 | Very low | 30.8 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 179.7 | 157.9 | 139.9 | 20.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 590 | K | 30.1 | Very low | 30.6 | Very low | 199 Ų | 199 | 151.8 Ų | 151.8 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -142.1 | 139.9 | -170.3 | 169.9 | -175 | 179 | 178.4 | 0 | 110.6 | ||||
| 591 | D | 28.2 | Very low | 30.5 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -152 | 152 | 158.4 | -144.8 | -15.4 | 0 | 0 | 0 | 114.4 | ||||
| 592 | R | 29.4 | Very low | 30.1 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | 51.5 | 113 | 168.5 | -51.3 | -156 | 72.6 | 156.2 | 0.7 | 121.4 | ||||
| 593 | Q | 30.5 | Very low | 30.2 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | 43.4 | 131.5 | 120.7 | -67.1 | 175.9 | -62.9 | 0 | 0 | 119.9 | |||||
| 594 | A | 29.8 | Very low | 30 | Very low | 77 Ų | 77 | 152.4 Ų | 152.4 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -171.8 | -168.1 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 595 | E | 29.4 | Very low | 30 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | cis | -149.2 | -86.6 | 3.8 | -158.6 | 80.3 | 83.5 | 0 | 0 | 111.9 | ||||
| 596 | E | 29.6 | Very low | 29.9 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -112.7 | 165 | -179.1 | -67.9 | -175.6 | 124.2 | 0 | 0 | 111 | ||||
| 597 | D | 28.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 56% | 0.561 | 77% | 0.774 | S | S | * | * | cis | -157.6 | 154.5 | 31.8 | -166.8 | 20.5 | 0 | 0 | 0 | 115.6 | ||||
| 598 | R | 32.9 | Very low | 29.8 | Very low | 214 Ų | 214 | 146.8 Ų | 146.8 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 42.5 | 129.7 | 160.4 | -83.3 | 159.9 | -173.2 | 96.5 | 9.9 | 123.1 | ||||
| 599 | Q | 30.1 | Very low | 30 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -138.2 | 127.5 | 158.8 | -179.1 | -179.3 | 2.1 | 0 | 0 | 111.3 | ||||
| 600 | M | 31.8 | Very low | 30.5 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -176.9 | 149.4 | 163.7 | -106.5 | 168.4 | -82.6 | 0 | 0 | 105.9 | ||||
| 601 | D | 28.6 | Very low | 30.5 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -128.2 | 150.1 | 9.9 | -89.3 | -60.4 | 0 | 0 | 0 | 110.5 | ||||
| 602 | T | 31.1 | Very low | 30.5 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | 69.2 | 97.1 | 64.6 | -37.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 603 | E | 30.8 | Very low | 30.6 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | 166.4 | 159.2 | 113.9 | -168 | 149.2 | -128.3 | 0 | 0 | 110.3 | |||||
| 604 | A | 28.4 | Very low | 30.5 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -129.2 | 139.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 605 | A | 30.2 | Very low | 30.3 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -137.3 | 134.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 606 | A | 29.8 | Very low | 30.4 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -127.8 | 135 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 607 | S | 27.4 | Very low | 30.3 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -158.9 | 93.5 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 608 | E | 30.3 | Very low | 30.2 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | 60.4 | 165.9 | 146.6 | -54.9 | -168.5 | 131.1 | 0 | 0 | 120.1 | ||||
| 609 | A | 32.4 | Very low | 30 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -132.4 | -172.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 610 | P | 40 | Very low | 29.9 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | cis | -126.9 | -173.6 | -4.4 | 41.5 | -25.4 | 0 | 0 | 0 | 113.5 | ||||
| 611 | Q | 30.7 | Very low | 29.7 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -124.4 | 139.9 | 168.9 | -71.7 | -173 | -12.5 | 0 | 0 | 111.6 | ||||
| 612 | D | 29.3 | Very low | 29.8 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -69.5 | 143.9 | 176.8 | -88.3 | -55.2 | 0 | 0 | 0 | 112.8 | ||||
| 613 | V | 30.6 | Very low | 29.7 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 76% | 0.764 | 83% | 0.833 | S | S | * | * | trans | -100.3 | 92 | 176.2 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 614 | T | 29 | Very low | 29.6 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 117.1 | 176.5 | -48.1 | 0 | 0 | 0 | 0 | 110.7 | A616 | T614-A616 PolarHBondContact O-N 3.5Š|
| 615 | Y | 25.9 | Very low | 29.8 | Very low | 216 Ų | 216 | 152.9 Ų | 152.9 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -71 | 119.7 | 173.4 | -85.9 | -96.4 | 0 | 0 | 0 | 111.1 | ||
| 616 | A | 30.1 | Very low | 29.7 | Very low | 101 Ų | 101 | 156.2 Ų | 156.2 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 129.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T614 | T614-A616 PolarHBondContact O-N 3.5Š|
| 617 | Q | 27.9 | Very low | 29.7 | Very low | 189 Ų | 189 | 156.2 Ų | 156.2 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -96 | 117.3 | -174.5 | -175.7 | 174.2 | -22.6 | 0 | 0 | 110.6 | H619 | Q617-H619 PolarHBondContact O-N 3.21Š|
| 618 | L | 27.7 | Very low | 29.9 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 95% | 0.948 | 84% | 0.837 | S | S | * | * | trans | -76.8 | 109.6 | -174.1 | -144.9 | 83.4 | 0 | 0 | 0 | 111.5 | ||||
| 619 | H | 26.8 | Very low | 30 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 76% | 0.759 | 84% | 0.836 | S | S | * | * | trans | -88.5 | 137 | 176 | -166.2 | -70.6 | 0 | 0 | 0 | 110.9 | Q617 | Q617-H619 PolarHBondContact O-N 3.21Š| ||
| 620 | S | 28.7 | Very low | 30.1 | Very low | 97 Ų | 97 | 158.3 Ų | 158.3 | 68% | 0.678 | 83% | 0.833 | S | S | * | * | trans | -70.6 | 135.7 | 175.1 | 44.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 621 | L | 28.2 | Very low | 30 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | trans | -108.2 | 116.5 | 178.3 | -94 | 167.8 | 0 | 0 | 0 | 111.4 | L623 | L621-L623 PolarHBondContact O-N 3.39Š| ||
| 622 | T | 30.1 | Very low | 30.2 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -77.1 | 106.6 | 179.2 | -33.7 | 0 | 0 | 0 | 0 | 110.3 | R624 | T622-R624 PolarHBondContact O-N 3.33Š| ||
| 623 | L | 29.2 | Very low | 30.3 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -82.5 | 85.8 | -174.7 | -151.2 | 162.3 | 0 | 0 | 0 | 111.8 | L621 R625 | L621-L623 PolarHBondContact O-N 3.39Å; L623-R625 PolarHBondContact O-N 3.31Å | ||
| 624 | R | 29.7 | Very low | 30.6 | Very low | 234 Ų | 234 | 156 Ų | 156 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -68.6 | 118.9 | 169.1 | -167.1 | -173.7 | -153.6 | 170.7 | 5.8 | 108.9 | T622 | T622-R624 PolarHBondContact O-N 3.33Š| ||
| 625 | R | 31.6 | Very low | 30.7 | Very low | 230 Ų | 230 | 159.1 Ų | 159.1 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | -102.1 | 112.7 | 179.6 | -162.5 | 172.9 | -166.3 | 158 | 4.8 | 110.6 | L623 | L623-R625 PolarHBondContact O-N 3.31Š| ||
| 626 | E | 28.5 | Very low | 31 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -69.9 | 150.7 | 167.7 | -74.8 | 174.1 | 127.7 | 0 | 0 | 110.6 | ||||
| 627 | A | 29.5 | Very low | 31.3 | Very low | 104 Ų | 104 | 153.7 Ų | 153.7 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -92.1 | 144.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 628 | T | 32.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | trans | -117.2 | 132.1 | 172.5 | -48.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 629 | E | 31.3 | Very low | 32.1 | Very low | 188 Ų | 188 | 146.9 Ų | 146.9 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 141.6 | -174.9 | -64.7 | -178.7 | 117.8 | 0 | 0 | 112.7 | ||
| 630 | P | 35.8 | Very low | 32.8 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 155.6 | 162.3 | 35.2 | -32.7 | 0 | 0 | 0 | 111.5 | ||
| 631 | P | 36.8 | Very low | 33 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 158.4 | -179.3 | 31.3 | -36.2 | 0 | 0 | 0 | 113.3 | ||
| 632 | P | 35 | Very low | 33.4 | Very low | 132 Ų | 132 | 143 Ų | 143 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 142.7 | -172.8 | 32.4 | -36 | 0 | 0 | 0 | 114.1 | ||
| 633 | S | 31.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -104.6 | 154.1 | 164.3 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 634 | Q | 36.4 | Very low | 33.9 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -106.4 | 168.4 | 178.6 | -72.1 | -169.1 | -39.3 | 0 | 0 | 112.4 | ||||
| 635 | E | 30.9 | Very low | 34 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | 68.7 | 143.8 | 176.4 | -48.4 | -171.3 | 143.6 | 0 | 0 | 114.7 | ||||
| 636 | G | 32.6 | Very low | 34.2 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | cis | -151.8 | -175.1 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 637 | P | 37.3 | Very low | 34.4 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 147.9 | -163.7 | 28.8 | -35.8 | 0 | 0 | 0 | 115.8 | ||
| 638 | S | 34.6 | Very low | 34.7 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 139.5 | -179.2 | -178 | 0 | 0 | 0 | 0 | 113.4 | ||
| 639 | P | 37.4 | Very low | 35 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 136.8 | 165.6 | 34 | -31.6 | 0 | 0 | 0 | 111.7 | ||
| 640 | A | 40.5 | Very low | 35.2 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86 | 142.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 641 | V | 33.6 | Very low | 35.6 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | -134.6 | 134.6 | 169.8 | -178 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 642 | P | 36.5 | Very low | 35.5 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -82.7 | 150.3 | -161 | 31.5 | -36.7 | 0 | 0 | 0 | 115 | ||||
| 643 | S | 32 | Very low | 35.6 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 67% | 0.671 | 83% | 0.829 | S | S | * | * | trans | -75.9 | 135.2 | 165 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 644 | I | 37.3 | Very low | 35.8 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 77% | 0.774 | 83% | 0.829 | S | S | * | * | trans | -122.5 | 113.5 | 166.2 | -62.5 | 179.6 | 0 | 0 | 0 | 107.6 | ||||
| 645 | Y | 31.4 | Very low | 35.8 | Very low | 207 Ų | 207 | 138.4 Ų | 138.4 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -77.4 | 136.5 | 168 | -83.6 | -103.5 | 0 | 0 | 0 | 109.9 | ||||
| 646 | A | 36.6 | Very low | 36.1 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -113.5 | 107.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 647 | T | 33.3 | Very low | 36.3 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | trans | -79.7 | 147.7 | 177.4 | 12 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 648 | L | 35.3 | Very low | 36.2 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -65.6 | 144.1 | 168.6 | -69.8 | 99.8 | 0 | 0 | 0 | 111 | ||||
| 649 | A | 38.3 | Very low | 36.3 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -123.7 | 133.2 | 158 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 650 | I | 35.4 | Very low | 36.2 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 80% | 0.795 | 84% | 0.838 | S | S | * | * | trans | -99.7 | 135.7 | 177.7 | -63.1 | 168.5 | 0 | 0 | 0 | 107.9 | ||||
| 651 | H | 44.6 | Very low | 35.9 | Very low | 260 Ų | 260 | 147.5 Ų | 147.5 | 100% | 1.204 | 84% | 0.836 | S | S | * | * | trans | -150.1 | 0 | 154.3 | -106.5 | -49.6 | 0 | 0 | 0 | 111.1 |
Retrieved 651 of 651 residues in 300.4 ms
(Link to these results)