| 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 | 35.7 | Very low | 38.9 | Very low | 246 Ų | 246 | 137.5 Ų | 137.5 | 100% | 1.212 | 68% | 0.678 | S | S | * | * | 0 | 110.3 | 0 | -77.5 | -179.2 | -128.3 | 0 | 0 | 108.1 | |||||
| 2 | L | 35.6 | Very low | 39.3 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | trans | -78.6 | 141 | 166.2 | -79.6 | 163.1 | 0 | 0 | 0 | 108.1 | ||||
| 3 | P | 38.5 | Very low | 39.2 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 62% | 0.617 | 65% | 0.647 | S | S | * | * | trans | -64 | 139.6 | -174.2 | 23.4 | -30.9 | 0 | 0 | 0 | 111.2 | G5 V6 | P3-G5 PolarHBondContact O-N 3.31Å; P3-V6 PolarHBondContact O-N 2.62Å | ||
| 4 | F | 43 | Very low | 39.6 | Very low | 204 Ų | 204 | 125.9 Ų | 125.9 | 90% | 0.895 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | -3.7 | 179.7 | -98.9 | -96.9 | 0 | 0 | 0 | 116.1 | ||
| 5 | G | 37.1 | Very low | 39.8 | Very low | 44 Ų | 44 | 126.7 Ų | 126.7 | 45% | 0.454 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -87.5 | -20.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116 | P3 R9 | P3-G5 PolarHBondContact O-N 3.31Å; G5-R9 PolarHBondContact O-N 2.72Å |
| 6 | V | 38.4 | Very low | 39.7 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 41% | 0.412 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.7 | -34.9 | -177 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | P3 R8 R9 L10 | P3-V6 PolarHBondContact O-N 2.62Å; V6-R8 PolarHBondContact O-N 3.23Å; V6-R9 PolarHBondContact O-N 2.84Å; V6-L10 HydrophobicContact CG1-CD1 4.27Å; V6-L10 PolarHBondContact O-N 3.42Å |
| 7 | H | 40 | Very low | 39.5 | Very low | 159 Ų | 159 | 120.4 Ų | 120.4 | 74% | 0.736 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.4 | -36.8 | 175.1 | -91.5 | -65.1 | 0 | 0 | 0 | 113.3 | L10 S11 | H7-L10 PolarHBondContact O-N 2.99Å; H7-S11 PolarHBondContact O-N 3.48Å |
| 8 | R | 40.7 | Very low | 39.6 | Very low | 204 Ų | 204 | 119.4 Ų | 119.4 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68 | -36.1 | 174.7 | -83.8 | -173 | 178.4 | 179.6 | 0.1 | 112.4 | V6 A12 | V6-R8 PolarHBondContact O-N 3.23Å; R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.47Å |
| 9 | R | 40.5 | Very low | 39.5 | Very low | 208 Ų | 208 | 116.5 Ų | 116.5 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.6 | -38.1 | 175.9 | -79.7 | -175.2 | 168.7 | -174.2 | -3.1 | 112.2 | G5 V6 L13 | G5-R9 PolarHBondContact O-N 2.72Å; V6-R9 PolarHBondContact O-N 2.84Å; R9-L13 WeakPolarHBondContact O-CB 3.33Å; R9-L13 PolarHBondContact O-N 3.34Å |
| 10 | L | 39.8 | Very low | 39.3 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.4 | -44.4 | 172.7 | -97.6 | 153.5 | 0 | 0 | 0 | 112.2 | V6 H7 A12 L13 Q14 | V6-L10 HydrophobicContact CG1-CD1 4.27Å; V6-L10 PolarHBondContact O-N 3.42Å; H7-L10 PolarHBondContact O-N 2.99Å; L10-A12 PolarHBondContact O-N 2.9Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-Q14 VanDerWaalsContact O-CB 3.27Å; L10-Q14 WeakPolarHBondContact O-CB 3Å; L10-Q14 PolarHBondContact O-N 2.85Å |
| 11 | S | 39.1 | Very low | 39.2 | Very low | 54 Ų | 54 | 113 Ų | 113 | 38% | 0.378 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.5 | -34.1 | 177.8 | 93.8 | 0 | 0 | 0 | 0 | 112.5 | H7 Q14 Q15 | H7-S11 PolarHBondContact O-N 3.48Å; S11-Q14 PolarHBondContact O-N 3.25Å; S11-Q15 WeakPolarHBondContact O-CB 3.4Å; S11-Q15 WeakPolarHBondContact O-CG 3.42Å; S11-Q15 PolarHBondContact O-N 3.41Å |
| 12 | A | 42.7 | Very low | 39.1 | Very low | 46 Ų | 46 | 105.6 Ų | 105.6 | 38% | 0.38 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.3 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R8 L10 Q14 Q15 T16 | R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 3.47Å; L10-A12 PolarHBondContact O-N 2.9Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q15 PolarHBondContact O-N 3.28Å; A12-T16 WeakPolarHBondContact O-CB 3.45Å; A12-T16 PolarHBondContact O-N 3.05Å; A12-T16 PolarHBondContact O-OG1 3.4Å |
| 13 | L | 39 | Very low | 38.9 | Very low | 108 Ų | 108 | 102.8 Ų | 102.8 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.4 | -43.1 | 172.6 | -155.7 | 89.9 | 0 | 0 | 0 | 110.4 | R9 L10 T16 L17 | R9-L13 WeakPolarHBondContact O-CB 3.33Å; R9-L13 PolarHBondContact O-N 3.34Å; L10-L13 PolarHBondContact O-N 3.46Å; L13-T16 PolarHBondContact O-N 3.46Å; L13-L17 HydrophobicContact CD2-CD1 4.12Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.41Å |
| 14 | Q | 44.3 | Very low | 38.6 | Very low | 97 Ų | 97 | 102.7 Ų | 102.7 | 45% | 0.453 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -44.4 | 178 | -158.6 | 171.7 | 4.2 | 0 | 0 | 111.5 | L10 S11 A12 L17 H18 | L10-Q14 VanDerWaalsContact O-CB 3.27Å; L10-Q14 WeakPolarHBondContact O-CB 3Å; L10-Q14 PolarHBondContact O-N 2.85Å; S11-Q14 PolarHBondContact O-N 3.25Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; Q14-L17 PolarHBondContact O-N 3.49Å; Q14-H18 WeakPolarHBondContact O-CB 3.26Å; Q14-H18 PolarHBondContact O-CD2 2.84Å; Q14-H18 PolarHBondContact O-N 3.24Å |
| 15 | Q | 42.3 | Very low | 38.1 | Very low | 138 Ų | 138 | 98 Ų | 98 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -37.7 | 174.5 | -77.4 | 178.6 | -17.8 | 0 | 0 | 112.9 | S11 A12 H18 A19 | S11-Q15 WeakPolarHBondContact O-CB 3.4Å; S11-Q15 WeakPolarHBondContact O-CG 3.42Å; S11-Q15 PolarHBondContact O-N 3.41Å; A12-Q15 PolarHBondContact O-N 3.28Å; Q15-H18 PolarHBondContact O-N 2.7Å; Q15-A19 WeakPolarHBondContact O-CB 3.27Å; Q15-A19 PolarHBondContact O-N 3.48Å |
| 16 | T | 38.8 | Very low | 37.8 | Very low | 80 Ų | 80 | 99.1 Ų | 99.1 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 176 | -50.6 | 0 | 0 | 0 | 0 | 111 | A12 L13 A19 N20 | A12-T16 WeakPolarHBondContact O-CB 3.45Å; A12-T16 PolarHBondContact O-N 3.05Å; A12-T16 PolarHBondContact O-OG1 3.4Å; L13-T16 PolarHBondContact O-N 3.46Å; T16-A19 PolarHBondContact O-N 2.99Å; T16-N20 WeakPolarHBondContact O-CB 3.43Å; T16-N20 VanDerWaalsContact O-CG 3.28Å; T16-N20 PolarHBondContact O-N 3.31Å; T16-N20 PolarHBondContact O-ND2 3.26Å |
| 17 | L | 36.6 | Very low | 37.6 | Very low | 65 Ų | 65 | 102.7 Ų | 102.7 | 34% | 0.34 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -38.7 | 172.5 | -73.7 | 164 | 0 | 0 | 0 | 111.5 | L13 Q14 N20 A21 N295 | L13-L17 HydrophobicContact CD2-CD1 4.12Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.41Å; Q14-L17 PolarHBondContact O-N 3.49Å; L17-N20 PolarHBondContact O-N 2.83Å; L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.36Å; L17-N295 WeakPolarHBondContact CD1-ND2 3.08Å |
| 18 | H | 40.9 | Very low | 37.6 | Very low | 104 Ų | 104 | 102.3 Ų | 102.3 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -40.1 | 173.5 | -81.7 | -68.2 | 0 | 0 | 0 | 112.6 | Q14 Q15 A22 | Q14-H18 WeakPolarHBondContact O-CB 3.26Å; Q14-H18 PolarHBondContact O-CD2 2.84Å; Q14-H18 PolarHBondContact O-N 3.24Å; Q15-H18 PolarHBondContact O-N 2.7Å; H18-A22 WeakPolarHBondContact O-CB 3.34Å; H18-A22 PolarHBondContact O-N 3.33Å |
| 19 | A | 36.8 | Very low | 37.5 | Very low | 64 Ų | 64 | 100.6 Ų | 100.6 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.9 | -35.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q15 T16 | Q15-A19 WeakPolarHBondContact O-CB 3.27Å; Q15-A19 PolarHBondContact O-N 3.48Å; T16-A19 PolarHBondContact O-N 2.99Å |
| 20 | N | 36.4 | Very low | 37.7 | Very low | 107 Ų | 107 | 95.9 Ų | 95.9 | 57% | 0.572 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -82.6 | -30.6 | 178.6 | -69.8 | -21.1 | 0 | 0 | 0 | 113.1 | T16 L17 A22 S23 | T16-N20 WeakPolarHBondContact O-CB 3.43Å; T16-N20 VanDerWaalsContact O-CG 3.28Å; T16-N20 PolarHBondContact O-N 3.31Å; T16-N20 PolarHBondContact O-ND2 3.26Å; L17-N20 PolarHBondContact O-N 2.83Å; N20-A22 VanDerWaalsContact C-N 3.31Å; N20-S23 PolarHBondContact O-N 2.9Å; N20-S23 PolarHBondContact O-OG 2.84Å |
| 21 | A | 36.7 | Very low | 37.8 | Very low | 53 Ų | 53 | 94.3 Ų | 94.3 | 44% | 0.438 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.7 | -23.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L17 S23 I25 | L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.36Å; A21-S23 VanDerWaalsContact C-N 3.27Å; A21-S23 PolarHBondContact O-N 2.82Å; A21-I25 VanDerWaalsContact O-CD1 3.27Å; A21-I25 WeakPolarHBondContact O-CD1 3.1Å |
| 22 | A | 34 | Very low | 37.9 | Very low | 89 Ų | 89 | 97.2 Ų | 97.2 | 74% | 0.736 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -3.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H18 N20 | H18-A22 WeakPolarHBondContact O-CB 3.34Å; H18-A22 PolarHBondContact O-N 3.33Å; N20-A22 VanDerWaalsContact C-N 3.31Å |
| 23 | S | 31.3 | Very low | 38 | Very low | 82 Ų | 82 | 96.2 Ų | 96.2 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -119.1 | -8.6 | -171.3 | 57.6 | 0 | 0 | 0 | 0 | 117.2 | N20 A21 | N20-S23 PolarHBondContact O-N 2.9Å; N20-S23 PolarHBondContact O-OG 2.84Å; A21-S23 VanDerWaalsContact C-N 3.27Å; A21-S23 PolarHBondContact O-N 2.82Å |
| 24 | V | 32 | Very low | 38.1 | Very low | 92 Ų | 92 | 95 Ų | 95 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | trans | -153.6 | 75.2 | 176.7 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 25 | I | 32.1 | Very low | 37.9 | Very low | 105 Ų | 105 | 99.2 Ų | 99.2 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | trans | -123.5 | 84.2 | 167.4 | -55.7 | 177.7 | 0 | 0 | 0 | 107.5 | A21 | A21-I25 VanDerWaalsContact O-CD1 3.27Å; A21-I25 WeakPolarHBondContact O-CD1 3.1Å | ||
| 26 | S | 32.4 | Very low | 38 | Very low | 69 Ų | 69 | 93.3 Ų | 93.3 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | trans | -80.3 | 118.3 | 153.5 | 61.3 | 0 | 0 | 0 | 0 | 106.6 | D28 R29 | S26-D28 PolarHBondContact O-N 2.93Å; S26-R29 PolarHBondContact OG-NE 3.3Å | ||
| 27 | N | 34 | Very low | 38.1 | Very low | 143 Ų | 143 | 95.5 Ų | 95.5 | 77% | 0.765 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -44.7 | 133.3 | 165.9 | -63.4 | -31.2 | 0 | 0 | 0 | 109.3 | ||
| 28 | D | 38.9 | Very low | 38.5 | Very low | 150 Ų | 150 | 96.3 Ų | 96.3 | 80% | 0.802 | 54% | 0.539 | S | S | * | . | trans | 72.5 | 62.9 | 172.9 | -54.9 | -32.7 | 0 | 0 | 0 | 118.8 | S26 V30 | S26-D28 PolarHBondContact O-N 2.93Å; D28-V30 PolarHBondContact O-N 3.48Å | ||
| 29 | R | 39.7 | Very low | 38.9 | Very low | 168 Ų | 168 | 98.5 Ų | 98.5 | 63% | 0.634 | 55% | 0.55 | S | S | * | . | trans | -84.7 | 81.9 | 157.4 | -67.7 | -170.3 | 179.8 | -166.4 | -2 | 110.4 | S26 | S26-R29 PolarHBondContact OG-NE 3.3Š| ||
| 30 | V | 43.9 | Very low | 39.6 | Very low | 109 Ų | 109 | 100.3 Ų | 100.3 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | trans | -63.5 | 130.4 | 165.9 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | D28 D32 | D28-V30 PolarHBondContact O-N 3.48Å; V30-D32 PolarHBondContact O-N 3.01Å; V30-D32 VanDerWaalsContact O-N 3.14Å | ||
| 31 | L | 42.9 | Very low | 40.7 | Very low | 57 Ų | 57 | 95.6 Ų | 95.6 | 30% | 0.298 | 52% | 0.521 | S | S | . | . | trans | -64.2 | 110.3 | 166.3 | -112.8 | 156.9 | 0 | 0 | 0 | 105.9 | I33 I307 | L31-I33 HydrophobicContact CB-CD1 4.16Å; L31-I33 HydrophobicContact CB-CG1 4.06Å; L31-I33 HydrophobicContact CD2-CD1 4.36Å; L31-I33 HydrophobicContact CD2-CG1 4.13Å; L31-I33 PolarHBondContact O-N 2.94Å; L31-I307 HydrophobicContact CD1-CD1 4.01Å; L31-I307 HydrophobicContact CG-CD1 4.35Å | ||
| 32 | D | 40.7 | Very low | 42.6 | Very low | 115 Ų | 115 | 95.1 Ų | 95.1 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | trans | -75.4 | 69.9 | 180 | -153.8 | 5.9 | 0 | 0 | 0 | 108.7 | V30 P71 | V30-D32 PolarHBondContact O-N 3.01Å; V30-D32 VanDerWaalsContact O-N 3.14Å; D32-P71 HydrophobicContact CB-CB 4.32Å | ||
| 33 | I | 44.7 | Very low | 44.6 | Very low | 26 Ų | 26 | 91.9 Ų | 91.9 | 13% | 0.133 | 48% | 0.481 | C | S | . | . | trans | -88.1 | 117.8 | 170.3 | -50.8 | 171.2 | 0 | 0 | 0 | 104.1 | L31 E35 L36 L52 A73 | L31-I33 HydrophobicContact CB-CD1 4.16Å; L31-I33 HydrophobicContact CB-CG1 4.06Å; L31-I33 HydrophobicContact CD2-CD1 4.36Å; L31-I33 HydrophobicContact CD2-CG1 4.13Å; L31-I33 PolarHBondContact O-N 2.94Å; I33-E35 PolarHBondContact O-N 3.48Å; I33-L36 HydrophobicContact CB-CD1 4.39Å; I33-L36 HydrophobicContact CG2-CD1 3.41Å; I33-L36 VanDerWaalsContact CG2-CD1 3.41Å; I33-L36 HydrophobicContact CG2-CD2 3.91Å; I33-L36 HydrophobicContact CG2-CG 3.56Å; I33-L52 HydrophobicContact CD1-CD2 4.21Å; I33-A73 HydrophobicContact CG1-CB 4.36Å | ||
| 34 | P | 40.7 | Very low | 47.1 | Very low | 83 Ų | 83 | 88.2 Ų | 88.2 | 54% | 0.539 | 46% | 0.455 | S | S | . | . | trans | -50.3 | 133.4 | -177 | 18.8 | -30.1 | 0 | 0 | 0 | 108.5 | L36 | P34-L36 VanDerWaalsContact C-N 3.25Å; P34-L36 WeakPolarHBondContact O-CA 3.4Å; P34-L36 WeakPolarHBondContact O-CG 3.17Å; P34-L36 PolarHBondContact O-N 3Å | ||
| 35 | E | 41.3 | Very low | 49.6 | Very low | 185 Ų | 185 | 85.5 Ų | 85.5 | 86% | 0.864 | 44% | 0.437 | S | S | * | . | trans | -30.8 | 92.1 | -175.2 | -76.1 | -176.6 | 156.6 | 0 | 0 | 109.8 | I33 D37 F38 | I33-E35 PolarHBondContact O-N 3.48Å; E35-D37 PolarHBondContact O-N 3.5Å; E35-F38 HydrophobicContact CB-CE2 3.98Å; E35-F38 HydrophobicContact CG-CE2 4.13Å | ||
| 36 | L | 43.9 | Very low | 52.2 | Low | 13 Ų | 13 | 81 Ų | 81 | 7% | 0.068 | 41% | 0.414 | C | S | . | . | trans | -73.6 | 131.3 | 177.6 | -68.1 | 179.2 | 0 | 0 | 0 | 103.1 | I33 P34 F38 Y64 | I33-L36 HydrophobicContact CB-CD1 4.39Å; I33-L36 HydrophobicContact CG2-CD1 3.41Å; I33-L36 VanDerWaalsContact CG2-CD1 3.41Å; I33-L36 HydrophobicContact CG2-CD2 3.91Å; I33-L36 HydrophobicContact CG2-CG 3.56Å; P34-L36 VanDerWaalsContact C-N 3.25Å; P34-L36 WeakPolarHBondContact O-CA 3.4Å; P34-L36 WeakPolarHBondContact O-CG 3.17Å; P34-L36 PolarHBondContact O-N 3Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 HydrophobicContact CB-CD1 4.49Å; L36-F38 HydrophobicContact CB-CE1 4.26Å; L36-F38 VanDerWaalsContact O-CA 3.28Å; L36-F38 WeakPolarHBondContact O-CA 3.27Å; L36-F38 WeakPolarHBondContact O-CD1 3.34Å; L36-F38 WeakPolarHBondContact O-CD2 3.27Å; L36-F38 VanDerWaalsContact O-CE2 3.24Å; L36-F38 WeakPolarHBondContact O-CE2 2.88Å; L36-F38 WeakPolarHBondContact O-CG 3.35Å; L36-F38 PolarHBondContact O-N 3.3Å; L36-Y64 HydrophobicContact CD2-CE1 4.48Å; L36-Y64 WeakPolarHBondContact CD2-OH 3.29Å | ||
| 37 | D | 40.2 | Very low | 54.7 | Low | 126 Ų | 126 | 80.7 Ų | 80.7 | 67% | 0.674 | 41% | 0.411 | S | S | * | . | trans | -46.4 | 104.8 | 169.2 | -86.9 | -43.1 | 0 | 0 | 0 | 108.1 | E35 E39 | E35-D37 PolarHBondContact O-N 3.5Å; D37-E39 PolarHBondContact O-N 3.25Å | ||
| 38 | F | 46.3 | Very low | 57.1 | Low | 83 Ų | 83 | 77.2 Ų | 77.2 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | trans | -84.9 | 8.1 | -157.5 | -75.1 | -71.7 | 0 | 0 | 0 | 111.8 | E35 L36 E40 F41 Y300 | E35-F38 HydrophobicContact CB-CE2 3.98Å; E35-F38 HydrophobicContact CG-CE2 4.13Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 HydrophobicContact CB-CD1 4.49Å; L36-F38 HydrophobicContact CB-CE1 4.26Å; L36-F38 VanDerWaalsContact O-CA 3.28Å; L36-F38 WeakPolarHBondContact O-CA 3.27Å; L36-F38 WeakPolarHBondContact O-CD1 3.34Å; L36-F38 WeakPolarHBondContact O-CD2 3.27Å; L36-F38 VanDerWaalsContact O-CE2 3.24Å; L36-F38 WeakPolarHBondContact O-CE2 2.88Å; L36-F38 WeakPolarHBondContact O-CG 3.35Å; L36-F38 PolarHBondContact O-N 3.3Å; F38-E40 PolarHBondContact O-N 2.75Å; F38-F41 AromaticContact CD1-CE1 3.84Å; F38-F41 HydrophobicContact CD1-CE1 3.84Å; F38-F41 HydrophobicContact CD1-CZ 4.5Å; F38-Y300 PolarHBondContact O-OH 2.78Å | ||
| 39 | E | 47.6 | Very low | 59 | Low | 149 Ų | 149 | 71.6 Ų | 71.6 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -79.8 | 111.9 | 176.5 | -62 | -171.4 | 170.6 | 0 | 0 | 108.1 | D37 S57 | D37-E39 PolarHBondContact O-N 3.25Å; E39-S57 WeakPolarHBondContact O-CB 3.48Å; E39-S57 PolarHBondContact O-OG 3.21Å |
| 40 | E | 52.2 | Low | 61 | Low | 103 Ų | 103 | 66.2 Ų | 66.2 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 52.7 | 67.8 | 165.9 | -56.3 | -172 | 160.9 | 0 | 0 | 115.7 | F38 S57 Y302 | F38-E40 PolarHBondContact O-N 2.75Å; E40-S57 PolarHBondContact O-N 3.24Å; E40-Y302 HydrophobicContact CG-CE1 3.71Å; E40-Y302 PolarHBondContact OE1-OH 2.78Å |
| 41 | F | 59.4 | Low | 62.9 | Low | 7 Ų | 7 | 62.1 Ų | 62.1 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | trans | -108.1 | 143.8 | 169.3 | 72.7 | -84.5 | 0 | 0 | 0 | 114 | F38 I43 A55 Y300 | F38-F41 AromaticContact CD1-CE1 3.84Å; F38-F41 HydrophobicContact CD1-CE1 3.84Å; F38-F41 HydrophobicContact CD1-CZ 4.5Å; F41-I43 HydrophobicContact CD2-CG2 3.46Å; F41-I43 VanDerWaalsContact CD2-CG2 3.46Å; F41-I43 HydrophobicContact CE2-CG2 3.43Å; F41-I43 VanDerWaalsContact CE2-CG2 3.43Å; F41-A55 CarbonylContact C-O 3.57Å; F41-A55 WeakPolarHBondContact CA-O 3.35Å; F41-A55 WeakPolarHBondContact CB-O 3.31Å; F41-Y300 HydrophobicContact CD1-CE1 4.26Å; F41-Y300 AromaticContact CD1-CE2 3.96Å; F41-Y300 HydrophobicContact CD1-CE2 3.96Å; F41-Y300 AromaticContact CD1-CZ 3.58Å; F41-Y300 VanDerWaalsContact CD1-OH 3.25Å; F41-Y300 WeakPolarHBondContact CD1-OH 3.33Å; F41-Y300 AromaticContact CE1-CD2 3.89Å; F41-Y300 HydrophobicContact CE1-CD2 3.89Å; F41-Y300 HydrophobicContact CE1-CE1 4.07Å; F41-Y300 AromaticContact CE1-CE2 3.04Å; F41-Y300 HydrophobicContact CE1-CE2 3.04Å; F41-Y300 AromaticContact CE1-CZ 3.15Å; F41-Y300 WeakPolarHBondContact CE1-OH 3.34Å; F41-Y300 HydrophobicContact CE2-CD2 4.19Å; F41-Y300 HydrophobicContact CE2-CE2 4.1Å; F41-Y300 HydrophobicContact CE2-CG 4.49Å; F41-Y300 HydrophobicContact CZ-CD1 4.49Å; F41-Y300 AromaticContact CZ-CD2 3.45Å; F41-Y300 HydrophobicContact CZ-CD2 3.45Å; F41-Y300 VanDerWaalsContact CZ-CD2 3.45Å; F41-Y300 HydrophobicContact CZ-CE1 4.2Å; F41-Y300 AromaticContact CZ-CE2 3.13Å; F41-Y300 HydrophobicContact CZ-CE2 3.13Å; F41-Y300 HydrophobicContact CZ-CG 4.16Å; F41-Y300 AromaticContact CZ-CZ 3.56Å; F41-Y300 VanDerWaalsContact O-CE1 3.26Å; F41-Y300 WeakPolarHBondContact O-CE1 3.36Å | ||
| 42 | M | 75.8 | Confident | 64.8 | Low | 44 Ų | 44 | 60 Ų | 60 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.7 | 171 | -58.2 | 176.1 | -71.1 | 0 | 0 | 109.5 | C54 A55 P91 C93 | M42-C54 CarbonylContact O-C 3.59Å; M42-C54 VanDerWaalsContact O-CA 3.31Å; M42-C54 WeakPolarHBondContact O-CA 3.5Å; M42-A55 HydrophobicContact CB-CB 4.2Å; M42-A55 HydrophobicContact CE-CB 3.78Å; M42-A55 PolarHBondContact N-O 3.48Å; M42-A55 PolarHBondContact O-N 3.39Å; M42-P91 VanDerWaalsContact CE-C 3.42Å; M42-P91 HydrophobicContact CE-CB 3.67Å; M42-P91 HydrophobicContact CE-CG 3.76Å; M42-P91 WeakPolarHBondContact CE-O 3.34Å; M42-C93 WeakPolarHBondContact SD-CA 3.27Å |
| 43 | I | 77.6 | Confident | 66.8 | Low | 20 Ų | 20 | 54.5 Ų | 54.5 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145.5 | 179.2 | 54.4 | 170.3 | 0 | 0 | 0 | 112.2 | F41 L52 L53 C54 R242 I289 | F41-I43 HydrophobicContact CD2-CG2 3.46Å; F41-I43 VanDerWaalsContact CD2-CG2 3.46Å; F41-I43 HydrophobicContact CE2-CG2 3.43Å; F41-I43 VanDerWaalsContact CE2-CG2 3.43Å; I43-L52 HydrophobicContact CB-CD1 4.07Å; I43-L52 HydrophobicContact CG2-CD1 4.34Å; I43-L53 CarbonylContact C-O 3.57Å; I43-L53 VanDerWaalsContact CA-O 3.3Å; I43-L53 WeakPolarHBondContact CA-O 3.3Å; I43-C54 HydrophobicContact CG2-CB 4.46Å; I43-R242 PolarHBondContact O-NH1 3Å; I43-I289 HydrophobicContact CD1-CD1 3.79Å; I43-I289 HydrophobicContact CG1-CD1 3.81Å |
| 44 | D | 83.5 | Confident | 68.5 | Low | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 148.2 | 164.3 | -161.8 | 17.5 | 0 | 0 | 0 | 113.1 | L53 L94 Q95 W96 R242 | D44-L53 PolarHBondContact N-O 2.66Å; D44-L53 PolarHBondContact O-N 3.33Å; D44-L94 HydrophobicContact CB-CD2 4.03Å; D44-L94 HydrophobicContact CB-CG 4.25Å; D44-Q95 WeakPolarHBondContact OD2-CA 3.21Å; D44-W96 PolarHBondContact O-NE1 3.33Å; D44-W96 PolarHBondContact OD2-N 2.8Å; D44-R242 VanDerWaalsContact CA-NH1 3.35Å; D44-R242 VanDerWaalsContact CB-NH1 3.34Å; D44-R242 IonicContact OD1-CZ 3.76Å; D44-R242 IonicContact OD1-NH1 2.99Å; D44-R242 PolarHBondContact OD1-NH1 2.86Å; D44-R242 IonicContact OD1-NH2 3.71Å; D44-R242 PolarHBondContact OD1-NH2 3.49Å |
| 45 | L | 83.8 | Confident | 70.3 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 18% | 0.183 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.6 | 176 | -70 | 171.5 | 0 | 0 | 0 | 109.7 | L51 L52 L66 W96 I289 L298 | L45-L51 WeakPolarHBondContact CA-O 3.19Å; L45-L52 HydrophobicContact CD2-CB 4.02Å; L45-L52 HydrophobicContact CD2-CD1 3.76Å; L45-L52 HydrophobicContact CG-CD1 4.32Å; L45-L66 HydrophobicContact CD2-CD1 3.54Å; L45-W96 VanDerWaalsContact O-CD1 3.22Å; L45-I289 HydrophobicContact CD1-CG2 4.39Å; L45-L298 HydrophobicContact CD1-CD1 4.45Å |
| 46 | D | 87.8 | Confident | 71.8 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | trans | -69.6 | 171.8 | 175.2 | 84.7 | -41.6 | 0 | 0 | 0 | 112 | T48 G49 D50 L51 W96 N101 | D46-T48 PolarHBondContact O-N 3.34Å; D46-T48 PolarHBondContact OD1-N 2.83Å; D46-T48 PolarHBondContact OD1-OG1 2.97Å; D46-T48 WeakPolarHBondContact OD2-CB 3.39Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.18Å; D46-T48 PolarHBondContact OD2-N 2.99Å; D46-T48 PolarHBondContact OD2-OG1 3.17Å; D46-G49 PolarHBondContact O-N 2.99Å; D46-G49 VanDerWaalsContact O-N 3.08Å; D46-G49 WeakPolarHBondContact OD1-CA 3.43Å; D46-G49 PolarHBondContact OD1-N 2.81Å; D46-D50 PolarHBondContact OD1-N 3.42Å; D46-L51 HydrophobicContact CB-CB 3.94Å; D46-L51 PolarHBondContact N-O 2.81Å; D46-L51 PolarHBondContact OD1-N 2.84Å; D46-W96 HydrophobicContact CB-CD2 3.66Å; D46-W96 HydrophobicContact CB-CE3 3.95Å; D46-W96 HydrophobicContact CB-CG 4.02Å; D46-W96 HydrophobicContact CB-CH2 4.38Å; D46-W96 HydrophobicContact CB-CZ2 4.11Å; D46-W96 HydrophobicContact CB-CZ3 4.31Å; D46-N101 HydrophobicContact CB-CB 4.24Å; D46-N101 VanDerWaalsContact OD2-CB 3.26Å; D46-N101 WeakPolarHBondContact OD2-CB 3.36Å | ||
| 47 | C | 84.5 | Confident | 72.9 | Confident | 64 Ų | 64 | 42.5 Ų | 42.5 | 43% | 0.432 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.4 | -178.3 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | P98 | C47-P98 WeakPolarHBondContact CB-O 3.49Š|
| 48 | T | 83.6 | Confident | 74.3 | Confident | 69 Ų | 69 | 39.9 Ų | 39.9 | 42% | 0.423 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -24.9 | 174.9 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | D46 D50 N101 | D46-T48 PolarHBondContact O-N 3.34Å; D46-T48 PolarHBondContact OD1-N 2.83Å; D46-T48 PolarHBondContact OD1-OG1 2.97Å; D46-T48 WeakPolarHBondContact OD2-CB 3.39Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.18Å; D46-T48 PolarHBondContact OD2-N 2.99Å; D46-T48 PolarHBondContact OD2-OG1 3.17Å; T48-D50 WeakPolarHBondContact OG1-CB 3.4Å; T48-D50 PolarHBondContact OG1-N 3.25Å; T48-D50 VanDerWaalsContact OG1-N 3.15Å; T48-N101 HydrophobicContact CG2-CB 4.48Å |
| 49 | G | 79.9 | Confident | 75.7 | Confident | 32 Ų | 32 | 36.5 Ų | 36.5 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 76.9 | 8.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D46 | D46-G49 PolarHBondContact O-N 2.99Å; D46-G49 VanDerWaalsContact O-N 3.08Å; D46-G49 WeakPolarHBondContact OD1-CA 3.43Å; D46-G49 PolarHBondContact OD1-N 2.81Å |
| 50 | D | 81.1 | Confident | 77.2 | Confident | 55 Ų | 55 | 29.6 Ų | 29.6 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -94.8 | -15.5 | 179.7 | -65.3 | -31.1 | 0 | 0 | 0 | 111.9 | D46 T48 L66 | D46-D50 PolarHBondContact OD1-N 3.42Å; T48-D50 WeakPolarHBondContact OG1-CB 3.4Å; T48-D50 PolarHBondContact OG1-N 3.25Å; T48-D50 VanDerWaalsContact OG1-N 3.15Å; D50-L66 PolarHBondContact O-N 3.22Å |
| 51 | L | 83.5 | Confident | 78.6 | Confident | 23 Ų | 23 | 24.7 Ų | 24.7 | 12% | 0.12 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.9 | 177.8 | -56.7 | 176.5 | 0 | 0 | 0 | 111.1 | L45 D46 M63 Y64 Q65 I76 W96 | L45-L51 WeakPolarHBondContact CA-O 3.19Å; D46-L51 HydrophobicContact CB-CB 3.94Å; D46-L51 PolarHBondContact N-O 2.81Å; D46-L51 PolarHBondContact OD1-N 2.84Å; L51-M63 HydrophobicContact CD1-SD 4.07Å; L51-Y64 WeakPolarHBondContact CA-O 3.2Å; L51-Q65 HydrophobicContact CD2-CB 4.42Å; L51-Q65 HydrophobicContact CD2-CG 4.49Å; L51-I76 HydrophobicContact CD2-CD1 3.78Å; L51-W96 HydrophobicContact CB-CH2 4.38Å; L51-W96 HydrophobicContact CB-CZ2 4.07Å; L51-W96 HydrophobicContact CD1-CH2 4.01Å |
| 52 | L | 82.1 | Confident | 79.7 | Confident | 12 Ų | 12 | 26.9 Ų | 26.9 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.3 | 170.2 | 174.3 | 70.6 | 0 | 0 | 0 | 108.6 | I33 I43 L45 M63 Y64 L66 | I33-L52 HydrophobicContact CD1-CD2 4.21Å; I43-L52 HydrophobicContact CB-CD1 4.07Å; I43-L52 HydrophobicContact CG2-CD1 4.34Å; L45-L52 HydrophobicContact CD2-CB 4.02Å; L45-L52 HydrophobicContact CD2-CD1 3.76Å; L45-L52 HydrophobicContact CG-CD1 4.32Å; L52-M63 CarbonylContact O-C 3.4Å; L52-M63 WeakPolarHBondContact O-CA 3.37Å; L52-Y64 HydrophobicContact CD2-CD2 4.5Å; L52-Y64 PolarHBondContact N-O 3.09Å; L52-Y64 PolarHBondContact O-N 3.12Å; L52-L66 HydrophobicContact CB-CD1 4.07Å; L52-L66 HydrophobicContact CB-CD2 3.89Å; L52-L66 HydrophobicContact CB-CG 3.96Å; L52-L66 HydrophobicContact CD2-CD2 4.26Å |
| 53 | L | 83.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.7 | 174.4 | -174.5 | 62.1 | 0 | 0 | 0 | 108.9 | I43 D44 M63 L94 W96 F104 F121 | I43-L53 CarbonylContact C-O 3.57Å; I43-L53 VanDerWaalsContact CA-O 3.3Å; I43-L53 WeakPolarHBondContact CA-O 3.3Å; D44-L53 PolarHBondContact N-O 2.66Å; D44-L53 PolarHBondContact O-N 3.33Å; L53-M63 HydrophobicContact CD1-CB 4.04Å; L53-L94 HydrophobicContact CB-CD2 3.88Å; L53-L94 HydrophobicContact CD2-CD1 3.28Å; L53-L94 HydrophobicContact CD2-CD2 3.62Å; L53-L94 HydrophobicContact CD2-CG 3.89Å; L53-L94 HydrophobicContact CG-CD1 4.06Å; L53-L94 HydrophobicContact CG-CD2 3.49Å; L53-L94 VanDerWaalsContact CG-CD2 3.49Å; L53-L94 HydrophobicContact CG-CG 4.32Å; L53-W96 HydrophobicContact CB-CZ2 3.82Å; L53-W96 HydrophobicContact CD2-CZ2 4.12Å; L53-F104 HydrophobicContact CD1-CZ 4.39Å; L53-F104 HydrophobicContact CD2-CB 4.07Å; L53-F104 HydrophobicContact CD2-CD1 3.81Å; L53-F104 HydrophobicContact CD2-CD2 3.4Å; L53-F104 HydrophobicContact CD2-CE1 4.04Å; L53-F104 HydrophobicContact CD2-CE2 3.64Å; L53-F104 HydrophobicContact CD2-CG 3.47Å; L53-F104 VanDerWaalsContact CD2-CG 3.47Å; L53-F104 HydrophobicContact CD2-CZ 3.95Å; L53-F121 HydrophobicContact CD1-CE2 4.04Å; L53-F121 HydrophobicContact CD1-CZ 3.87Å |
| 54 | C | 80.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.7 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | M42 I43 H56 L61 R62 Y64 | M42-C54 CarbonylContact O-C 3.59Å; M42-C54 VanDerWaalsContact O-CA 3.31Å; M42-C54 WeakPolarHBondContact O-CA 3.5Å; I43-C54 HydrophobicContact CG2-CB 4.46Å; C54-H56 VanDerWaalsContact CB-NE2 3.26Å; C54-H56 WeakPolarHBondContact CB-NE2 3.19Å; C54-H56 PolarHBondContact O-CD2 2.99Å; C54-L61 CarbonylContact O-C 3.58Å; C54-L61 WeakPolarHBondContact O-CA 3.33Å; C54-R62 PolarHBondContact N-O 2.96Å; C54-R62 PolarHBondContact O-N 2.86Å; C54-Y64 HydrophobicContact CB-CE2 3.91Å; C54-Y64 VanDerWaalsContact SG-CE2 3.56Å |
| 55 | A | 78 | Confident | 80.1 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | F41 M42 L61 P91 | F41-A55 CarbonylContact C-O 3.57Å; F41-A55 WeakPolarHBondContact CA-O 3.35Å; F41-A55 WeakPolarHBondContact CB-O 3.31Å; M42-A55 HydrophobicContact CB-CB 4.2Å; M42-A55 HydrophobicContact CE-CB 3.78Å; M42-A55 PolarHBondContact N-O 3.48Å; M42-A55 PolarHBondContact O-N 3.39Å; A55-L61 HydrophobicContact CB-CD2 3.61Å; A55-P91 HydrophobicContact CB-CB 4.25Å; A55-P91 HydrophobicContact CB-CG 3.39Å |
| 56 | H | 73.8 | Confident | 79.5 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 2% | 0.023 | 17% | 0.167 | C | C | . | . | trans | -113.7 | 160 | -170.9 | -66.6 | -104.6 | 0 | 0 | 0 | 112.3 | C54 D58 A59 C60 R62 | C54-H56 VanDerWaalsContact CB-NE2 3.26Å; C54-H56 WeakPolarHBondContact CB-NE2 3.19Å; C54-H56 PolarHBondContact O-CD2 2.99Å; H56-D58 WeakPolarHBondContact CB-OD1 3.44Å; H56-D58 PolarHBondContact O-N 3.03Å; H56-A59 PolarHBondContact O-N 3.09Å; H56-A59 VanDerWaalsContact O-N 3.14Å; H56-C60 PolarHBondContact N-O 2.71Å; H56-R62 VanDerWaalsContact CB-NH1 3.31Å; H56-R62 PolarHBondContact CD2-NH1 2.96Å; H56-R62 WeakPolarHBondContact NE2-CD 3.35Å | ||
| 57 | S | 66.3 | Low | 78.4 | Confident | 49 Ų | 49 | 30.2 Ų | 30.2 | 34% | 0.343 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.9 | 175.2 | 49.8 | 0 | 0 | 0 | 0 | 114 | E39 E40 A59 | E39-S57 WeakPolarHBondContact O-CB 3.48Å; E39-S57 PolarHBondContact O-OG 3.21Å; E40-S57 PolarHBondContact O-N 3.24Å; S57-A59 PolarHBondContact O-N 2.83Å |
| 58 | D | 70.6 | Confident | 77 | Confident | 71 Ų | 71 | 37.4 Ų | 37.4 | 38% | 0.38 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 18.3 | 175.1 | 76.9 | -27.1 | 0 | 0 | 0 | 114 | H56 C60 R62 | H56-D58 WeakPolarHBondContact CB-OD1 3.44Å; H56-D58 PolarHBondContact O-N 3.03Å; D58-C60 PolarHBondContact O-N 3.28Å; D58-C60 PolarHBondContact O-SG 3.29Å; D58-C60 VanDerWaalsContact O-SG 3.38Å; D58-C60 VanDerWaalsContact OD1-CB 3.24Å; D58-C60 WeakPolarHBondContact OD1-CB 3.18Å; D58-C60 PolarHBondContact OD1-N 2.9Å; D58-C60 PolarHBondContact OD2-SG 3.32Å; D58-C60 VanDerWaalsContact OD2-SG 3.42Å; D58-R62 IonicContact OD1-CZ 3.23Å; D58-R62 IonicContact OD1-NH1 2.82Å; D58-R62 PolarHBondContact OD1-NH1 2.97Å; D58-R62 IonicContact OD1-NH2 2.74Å; D58-R62 IonicContact OD2-CZ 3.76Å; D58-R62 IonicContact OD2-NH1 2.89Å; D58-R62 PolarHBondContact OD2-NH1 3.22Å; D58-R62 IonicContact OD2-NH2 3.7Å; D58-R62 PolarHBondContact OD2-NH2 3.34Å |
| 59 | A | 74.3 | Confident | 74.9 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 10% | 0.099 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 52.4 | 35.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H56 S57 F81 | H56-A59 PolarHBondContact O-N 3.09Å; H56-A59 VanDerWaalsContact O-N 3.14Å; S57-A59 PolarHBondContact O-N 2.83Å; A59-F81 WeakPolarHBondContact O-CD2 3.49Å; A59-F81 PolarHBondContact O-N 2.8Å |
| 60 | C | 78.7 | Confident | 73.1 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.6 | 174.5 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | H56 D58 L78 A79 | H56-C60 PolarHBondContact N-O 2.71Å; D58-C60 PolarHBondContact O-N 3.28Å; D58-C60 PolarHBondContact O-SG 3.29Å; D58-C60 VanDerWaalsContact O-SG 3.38Å; D58-C60 VanDerWaalsContact OD1-CB 3.24Å; D58-C60 WeakPolarHBondContact OD1-CB 3.18Å; D58-C60 PolarHBondContact OD1-N 2.9Å; D58-C60 PolarHBondContact OD2-SG 3.32Å; D58-C60 VanDerWaalsContact OD2-SG 3.42Å; C60-L78 HydrophobicContact CB-CD1 3.86Å; C60-A79 WeakPolarHBondContact CA-O 3.28Å |
| 61 | L | 82.1 | Confident | 71.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.8 | 162.8 | -60.2 | 176.5 | 0 | 0 | 0 | 108.5 | C54 A55 L78 A79 F81 P91 F104 T106 W116 F121 | C54-L61 CarbonylContact O-C 3.58Å; C54-L61 WeakPolarHBondContact O-CA 3.33Å; A55-L61 HydrophobicContact CB-CD2 3.61Å; L61-L78 WeakPolarHBondContact O-CA 3.36Å; L61-A79 HydrophobicContact CB-CB 4.49Å; L61-A79 PolarHBondContact N-O 3.38Å; L61-A79 PolarHBondContact O-N 3.01Å; L61-F81 HydrophobicContact CD1-CE2 3.93Å; L61-F81 HydrophobicContact CD1-CZ 3.95Å; L61-F81 HydrophobicContact CD2-CE2 3.8Å; L61-F81 HydrophobicContact CD2-CZ 4.15Å; L61-F81 HydrophobicContact CG-CD2 4.46Å; L61-F81 HydrophobicContact CG-CE2 3.54Å; L61-F81 HydrophobicContact CG-CZ 4.03Å; L61-P91 HydrophobicContact CD2-CG 4.16Å; L61-F104 HydrophobicContact CD1-CE2 3.74Å; L61-F104 HydrophobicContact CD1-CZ 4.06Å; L61-T106 HydrophobicContact CD1-CG2 4.14Å; L61-T106 HydrophobicContact CD2-CG2 4.23Å; L61-W116 HydrophobicContact CD1-CD2 3.98Å; L61-W116 HydrophobicContact CD1-CE3 4.21Å; L61-W116 HydrophobicContact CD1-CH2 3.86Å; L61-W116 HydrophobicContact CD1-CZ2 3.6Å; L61-W116 HydrophobicContact CD1-CZ3 4.15Å; L61-F121 HydrophobicContact CB-CE1 3.99Å; L61-F121 HydrophobicContact CB-CZ 3.79Å; L61-F121 WeakPolarHBondContact O-CE1 3.43Å |
| 62 | R | 82.4 | Confident | 69.6 | Low | 53 Ų | 53 | 50.5 Ų | 50.5 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.9 | 175.5 | -63.6 | -176.1 | 179.7 | 70.8 | 1.2 | 108.6 | C54 H56 D58 Y64 R77 L78 | C54-R62 PolarHBondContact N-O 2.96Å; C54-R62 PolarHBondContact O-N 2.86Å; H56-R62 VanDerWaalsContact CB-NH1 3.31Å; H56-R62 PolarHBondContact CD2-NH1 2.96Å; H56-R62 WeakPolarHBondContact NE2-CD 3.35Å; D58-R62 IonicContact OD1-CZ 3.23Å; D58-R62 IonicContact OD1-NH1 2.82Å; D58-R62 PolarHBondContact OD1-NH1 2.97Å; D58-R62 IonicContact OD1-NH2 2.74Å; D58-R62 IonicContact OD2-CZ 3.76Å; D58-R62 IonicContact OD2-NH1 2.89Å; D58-R62 PolarHBondContact OD2-NH1 3.22Å; D58-R62 IonicContact OD2-NH2 3.7Å; D58-R62 PolarHBondContact OD2-NH2 3.34Å; R62-Y64 HydrophobicContact CB-CE2 3.6Å; R62-Y64 WeakPolarHBondContact CD-OH 3.32Å; R62-R77 WeakPolarHBondContact CA-O 3.48Å; R62-L78 HydrophobicContact CG-CD1 3.69Å |
| 63 | M | 84.1 | Confident | 68.3 | Low | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.4 | 174.3 | -175.7 | 169.7 | 64.3 | 0 | 0 | 109.4 | L51 L52 L53 A75 I76 R77 W96 T118 F121 | L51-M63 HydrophobicContact CD1-SD 4.07Å; L52-M63 CarbonylContact O-C 3.4Å; L52-M63 WeakPolarHBondContact O-CA 3.37Å; L53-M63 HydrophobicContact CD1-CB 4.04Å; M63-A75 CarbonylContact O-C 3.47Å; M63-A75 WeakPolarHBondContact O-CA 3.2Å; M63-I76 HydrophobicContact CB-CG1 4.17Å; M63-I76 HydrophobicContact CE-CD1 3.44Å; M63-I76 VanDerWaalsContact CE-CD1 3.44Å; M63-I76 HydrophobicContact CE-CG1 3.81Å; M63-I76 HydrophobicContact CG-CD1 3.97Å; M63-I76 HydrophobicContact CG-CG1 3.95Å; M63-I76 VanDerWaalsContact O-CG1 3.26Å; M63-I76 WeakPolarHBondContact O-CG1 3.45Å; M63-I76 PolarHBondContact O-N 2.98Å; M63-I76 HydrophobicContact SD-CD1 4.19Å; M63-R77 HydrophobicContact CB-CB 4.18Å; M63-R77 HydrophobicContact CE-CB 4.03Å; M63-R77 HydrophobicContact CE-CG 3.44Å; M63-R77 VanDerWaalsContact CE-CG 3.44Å; M63-R77 PolarHBondContact N-O 2.9Å; M63-R77 PolarHBondContact O-N 3.42Å; M63-W96 HydrophobicContact SD-CH2 3.71Å; M63-W96 HydrophobicContact SD-CZ2 4.08Å; M63-T118 HydrophobicContact CE-CG2 3.63Å; M63-T118 HydrophobicContact SD-CG2 3.54Å; M63-T118 VanDerWaalsContact SD-CG2 3.54Å; M63-F121 HydrophobicContact CB-CE2 4.1Å; M63-F121 HydrophobicContact CB-CZ 4.11Å |
| 64 | Y | 81 | Confident | 67 | Low | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.6 | 179.1 | -56.9 | -92.7 | 0 | 0 | 0 | 110.2 | L36 L51 L52 C54 R62 A73 K74 A75 | L36-Y64 HydrophobicContact CD2-CE1 4.48Å; L36-Y64 WeakPolarHBondContact CD2-OH 3.29Å; L51-Y64 WeakPolarHBondContact CA-O 3.2Å; L52-Y64 HydrophobicContact CD2-CD2 4.5Å; L52-Y64 PolarHBondContact N-O 3.09Å; L52-Y64 PolarHBondContact O-N 3.12Å; C54-Y64 HydrophobicContact CB-CE2 3.91Å; C54-Y64 VanDerWaalsContact SG-CE2 3.56Å; R62-Y64 HydrophobicContact CB-CE2 3.6Å; R62-Y64 WeakPolarHBondContact CD-OH 3.32Å; Y64-A73 HydrophobicContact CD1-CB 3.89Å; Y64-A73 HydrophobicContact CG-CB 4.15Å; Y64-K74 CarbonylContact C-O 3.58Å; Y64-K74 VanDerWaalsContact CA-O 3.25Å; Y64-K74 WeakPolarHBondContact CA-O 3.21Å; Y64-A75 HydrophobicContact CD1-CB 4.02Å; Y64-A75 HydrophobicContact CE1-CB 3.77Å |
| 65 | Q | 80.5 | Confident | 66.3 | Low | 104 Ų | 104 | 60.6 Ų | 60.6 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.2 | 165 | -171.4 | 171.1 | 10.8 | 0 | 0 | 108.8 | L51 K74 I76 | L51-Q65 HydrophobicContact CD2-CB 4.42Å; L51-Q65 HydrophobicContact CD2-CG 4.49Å; Q65-K74 PolarHBondContact N-O 3.28Å; Q65-K74 PolarHBondContact O-N 3.24Å; Q65-I76 HydrophobicContact CB-CD1 4.35Å; Q65-I76 HydrophobicContact CB-CG2 4.09Å |
| 66 | L | 71.6 | Confident | 66.1 | Low | 30 Ų | 30 | 62.7 Ų | 62.7 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 125.7 | 174.5 | -60.3 | -175.6 | 0 | 0 | 0 | 109.3 | L45 D50 L52 A73 | L45-L66 HydrophobicContact CD2-CD1 3.54Å; D50-L66 PolarHBondContact O-N 3.22Å; L52-L66 HydrophobicContact CB-CD1 4.07Å; L52-L66 HydrophobicContact CB-CD2 3.89Å; L52-L66 HydrophobicContact CB-CG 3.96Å; L52-L66 HydrophobicContact CD2-CD2 4.26Å; L66-A73 HydrophobicContact CD2-CB 4.28Å |
| 67 | G | 63.8 | Low | 65.9 | Low | 37 Ų | 37 | 68.1 Ų | 68.1 | 38% | 0.381 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 141.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L69 | G67-L69 PolarHBondContact O-N 2.9Š|
| 68 | R | 55.4 | Low | 66.1 | Low | 215 Ų | 215 | 70.8 Ų | 70.8 | 81% | 0.811 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -60.6 | -26.2 | 173.9 | -70.2 | -176.4 | 175.6 | 178.7 | 1.9 | 112.9 | ||
| 69 | L | 40.2 | Very low | 66 | Low | 177 Ų | 177 | 67.9 Ų | 67.9 | 93% | 0.927 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -145.7 | 0.9 | -172 | -66.8 | 172.5 | 0 | 0 | 0 | 114 | G67 | G67-L69 PolarHBondContact O-N 2.9Š|
| 70 | A | 41.1 | Very low | 65.7 | Low | 52 Ų | 52 | 74.3 Ų | 74.3 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | trans | -106.9 | 136.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | E72 | A70-E72 PolarHBondContact O-N 2.68Š| ||
| 71 | P | 44.6 | Very low | 65 | Low | 76 Ų | 76 | 74.8 Ų | 74.8 | 49% | 0.494 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -68.6 | -8.3 | 175.3 | 29.2 | -33.7 | 0 | 0 | 0 | 112.8 | D32 | D32-P71 HydrophobicContact CB-CB 4.32Š|
| 72 | E | 47.9 | Very low | 63.5 | Low | 148 Ų | 148 | 85.6 Ų | 85.6 | 69% | 0.692 | 42% | 0.418 | S | S | * | . | trans | -79.4 | 121.5 | -176.3 | -62.4 | 176.4 | -169 | 0 | 0 | 111.8 | A70 | A70-E72 PolarHBondContact O-N 2.68Š| ||
| 73 | A | 53.8 | Low | 61.9 | Low | 12 Ų | 12 | 89.1 Ų | 89.1 | 10% | 0.099 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | I33 Y64 L66 | I33-A73 HydrophobicContact CG1-CB 4.36Å; Y64-A73 HydrophobicContact CD1-CB 3.89Å; Y64-A73 HydrophobicContact CG-CB 4.15Å; L66-A73 HydrophobicContact CD2-CB 4.28Å |
| 74 | K | 57.3 | Low | 60.1 | Low | 151 Ų | 151 | 91 Ų | 91 | 66% | 0.657 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118 | 175.8 | -176 | 176 | -179.6 | 176.5 | 0 | 110 | Y64 Q65 I76 | Y64-K74 CarbonylContact C-O 3.58Å; Y64-K74 VanDerWaalsContact CA-O 3.25Å; Y64-K74 WeakPolarHBondContact CA-O 3.21Å; Q65-K74 PolarHBondContact N-O 3.28Å; Q65-K74 PolarHBondContact O-N 3.24Å; K74-I76 HydrophobicContact CG-CG2 4.39Å; K74-I76 PolarHBondContact O-N 3.04Å |
| 75 | A | 64.4 | Low | 58.3 | Low | 62 Ų | 62 | 97 Ų | 97 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 119 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | M63 Y64 | M63-A75 CarbonylContact O-C 3.47Å; M63-A75 WeakPolarHBondContact O-CA 3.2Å; Y64-A75 HydrophobicContact CD1-CB 4.02Å; Y64-A75 HydrophobicContact CE1-CB 3.77Å |
| 76 | I | 73.6 | Confident | 56.8 | Low | 46 Ų | 46 | 98 Ų | 98 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -20.8 | -176.8 | 55 | 168 | 0 | 0 | 0 | 113.3 | L51 M63 Q65 K74 | L51-I76 HydrophobicContact CD2-CD1 3.78Å; M63-I76 HydrophobicContact CB-CG1 4.17Å; M63-I76 HydrophobicContact CE-CD1 3.44Å; M63-I76 VanDerWaalsContact CE-CD1 3.44Å; M63-I76 HydrophobicContact CE-CG1 3.81Å; M63-I76 HydrophobicContact CG-CD1 3.97Å; M63-I76 HydrophobicContact CG-CG1 3.95Å; M63-I76 VanDerWaalsContact O-CG1 3.26Å; M63-I76 WeakPolarHBondContact O-CG1 3.45Å; M63-I76 PolarHBondContact O-N 2.98Å; M63-I76 HydrophobicContact SD-CD1 4.19Å; Q65-I76 HydrophobicContact CB-CD1 4.35Å; Q65-I76 HydrophobicContact CB-CG2 4.09Å; K74-I76 HydrophobicContact CG-CG2 4.39Å; K74-I76 PolarHBondContact O-N 3.04Å |
| 77 | R | 70.1 | Confident | 55.7 | Low | 119 Ų | 119 | 99.1 Ų | 99.1 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.3 | 177.4 | -62.8 | -67.8 | -175.8 | -94.6 | 3 | 111.3 | R62 M63 F121 | R62-R77 WeakPolarHBondContact CA-O 3.48Å; M63-R77 HydrophobicContact CB-CB 4.18Å; M63-R77 HydrophobicContact CE-CB 4.03Å; M63-R77 HydrophobicContact CE-CG 3.44Å; M63-R77 VanDerWaalsContact CE-CG 3.44Å; M63-R77 PolarHBondContact N-O 2.9Å; M63-R77 PolarHBondContact O-N 3.42Å; R77-F121 HydrophobicContact CB-CB 4.16Å; R77-F121 HydrophobicContact CB-CD1 3.55Å; R77-F121 HydrophobicContact CB-CD2 3.98Å; R77-F121 HydrophobicContact CB-CE1 3.8Å; R77-F121 HydrophobicContact CB-CE2 4.22Å; R77-F121 HydrophobicContact CB-CG 3.65Å; R77-F121 HydrophobicContact CB-CZ 4.14Å; R77-F121 HydrophobicContact CG-CB 4.2Å; R77-F121 HydrophobicContact CG-CD1 4.47Å; R77-F121 HydrophobicContact CG-CD2 4.32Å; R77-F121 HydrophobicContact CG-CG 4.12Å |
| 78 | L | 71.3 | Confident | 55.2 | Low | 105 Ų | 105 | 102.6 Ų | 102.6 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 129.1 | 173.9 | 179.4 | 75 | 0 | 0 | 0 | 108.6 | C60 L61 R62 | C60-L78 HydrophobicContact CB-CD1 3.86Å; L61-L78 WeakPolarHBondContact O-CA 3.36Å; R62-L78 HydrophobicContact CG-CD1 3.69Å |
| 79 | A | 68.7 | Low | 55.6 | Low | 10 Ų | 10 | 92.5 Ų | 92.5 | 8% | 0.083 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | C60 L61 W116 F121 | C60-A79 WeakPolarHBondContact CA-O 3.28Å; L61-A79 HydrophobicContact CB-CB 4.49Å; L61-A79 PolarHBondContact N-O 3.38Å; L61-A79 PolarHBondContact O-N 3.01Å; A79-W116 HydrophobicContact CB-CH2 4.37Å; A79-W116 HydrophobicContact CB-CZ3 3.83Å; A79-F121 HydrophobicContact CB-CD1 3.32Å; A79-F121 HydrophobicContact CB-CE1 3.47Å; A79-F121 VanDerWaalsContact CB-CE1 3.47Å; A79-F121 HydrophobicContact CB-CG 4.3Å; A79-F121 VanDerWaalsContact N-CE1 3.26Å |
| 80 | K | 66.8 | Low | 57.1 | Low | 146 Ų | 146 | 88.5 Ų | 88.5 | 64% | 0.635 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 141.3 | 164.6 | -60.6 | -166.1 | 172.6 | -169.6 | 0 | 107.8 | R82 | K80-R82 VanDerWaalsContact C-N 3.3Å; K80-R82 PolarHBondContact O-N 3.18Å |
| 81 | F | 64 | Low | 59 | Low | 15 Ų | 15 | 86.4 Ų | 86.4 | 7% | 0.066 | 45% | 0.446 | C | S | . | . | trans | -64.4 | 92.8 | 169.3 | -80.7 | -99.5 | 0 | 0 | 0 | 109.5 | A59 L61 N83 A89 P91 T106 D108 W116 | A59-F81 WeakPolarHBondContact O-CD2 3.49Å; A59-F81 PolarHBondContact O-N 2.8Å; L61-F81 HydrophobicContact CD1-CE2 3.93Å; L61-F81 HydrophobicContact CD1-CZ 3.95Å; L61-F81 HydrophobicContact CD2-CE2 3.8Å; L61-F81 HydrophobicContact CD2-CZ 4.15Å; L61-F81 HydrophobicContact CG-CD2 4.46Å; L61-F81 HydrophobicContact CG-CE2 3.54Å; L61-F81 HydrophobicContact CG-CZ 4.03Å; F81-N83 PolarHBondContact O-N 2.83Å; F81-A89 HydrophobicContact CB-CB 4.2Å; F81-A89 WeakPolarHBondContact CB-O 3.26Å; F81-A89 WeakPolarHBondContact CG-O 3.47Å; F81-P91 HydrophobicContact CE2-CB 4.06Å; F81-P91 VanDerWaalsContact CE2-CD 3.47Å; F81-P91 HydrophobicContact CE2-CG 3.76Å; F81-P91 HydrophobicContact CZ-CB 3.68Å; F81-P91 HydrophobicContact CZ-CG 3.93Å; F81-T106 HydrophobicContact CZ-CG2 4.27Å; F81-D108 HydrophobicContact CE1-CB 4.48Å; F81-W116 HydrophobicContact CD1-CZ2 4.12Å; F81-W116 HydrophobicContact CE1-CH2 4.42Å; F81-W116 AromaticContact CE1-CZ2 3.62Å; F81-W116 HydrophobicContact CE1-CZ2 3.62Å; F81-W116 HydrophobicContact CE2-CZ2 4.41Å; F81-W116 AromaticContact CZ-CZ2 3.76Å; F81-W116 HydrophobicContact CZ-CZ2 3.76Å | ||
| 82 | R | 51.7 | Low | 60.7 | Low | 227 Ų | 227 | 83.6 Ų | 83.6 | 86% | 0.857 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 91.2 | 178.7 | -71.6 | -174.7 | -177.9 | -174.1 | 1.1 | 108.7 | K80 | K80-R82 VanDerWaalsContact C-N 3.3Å; K80-R82 PolarHBondContact O-N 3.18Å |
| 83 | N | 48.4 | Very low | 62.5 | Low | 126 Ų | 126 | 77 Ų | 77 | 67% | 0.674 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 164.7 | 16.2 | 158.1 | -83.6 | -22.1 | 0 | 0 | 0 | 111.8 | F81 V85 K110 | F81-N83 PolarHBondContact O-N 2.83Å; N83-V85 PolarHBondContact O-N 3.18Å; N83-K110 PolarHBondContact O-NZ 3.15Å |
| 84 | S | 44.9 | Very low | 64.1 | Low | 45 Ų | 45 | 77.2 Ų | 77.2 | 32% | 0.315 | 40% | 0.396 | S | S | . | . | trans | -77.1 | 75.1 | 168.6 | 72.5 | 0 | 0 | 0 | 0 | 109.7 | D86 G87 | S84-D86 PolarHBondContact O-N 2.99Å; S84-D86 VanDerWaalsContact O-N 3.12Å; S84-G87 VanDerWaalsContact CB-CA 3.5Å; S84-G87 PolarHBondContact O-N 3.03Å; S84-G87 VanDerWaalsContact O-N 3.1Å; S84-G87 WeakPolarHBondContact OG-CA 3.41Å | ||
| 85 | V | 44.2 | Very low | 65.8 | Low | 135 Ų | 135 | 71.6 Ų | 71.6 | 82% | 0.818 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.8 | 167 | -179.2 | 0 | 0 | 0 | 0 | 110 | N83 | N83-V85 PolarHBondContact O-N 3.18Š|
| 86 | D | 48.2 | Very low | 67.1 | Low | 125 Ų | 125 | 68.9 Ų | 68.9 | 67% | 0.668 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 8.7 | 177.7 | -47.4 | -50.2 | 0 | 0 | 0 | 114.5 | S84 L88 | S84-D86 PolarHBondContact O-N 2.99Å; S84-D86 VanDerWaalsContact O-N 3.12Å; D86-L88 VanDerWaalsContact C-N 3.26Å; D86-L88 HydrophobicContact CB-CD1 4.2Å; D86-L88 HydrophobicContact CB-CG 4.48Å; D86-L88 WeakPolarHBondContact O-CG 3.47Å; D86-L88 PolarHBondContact O-N 3.35Å |
| 87 | G | 48.3 | Very low | 68 | Low | 52 Ų | 52 | 66.8 Ų | 66.8 | 54% | 0.536 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 74.7 | 1.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S84 | S84-G87 VanDerWaalsContact CB-CA 3.5Å; S84-G87 PolarHBondContact O-N 3.03Å; S84-G87 VanDerWaalsContact O-N 3.1Å; S84-G87 WeakPolarHBondContact OG-CA 3.41Å |
| 88 | L | 53.9 | Low | 68.9 | Low | 110 Ų | 110 | 62.8 Ų | 62.8 | 58% | 0.576 | 33% | 0.327 | S | S | * | . | trans | -100.1 | 1.4 | -166.2 | -66.9 | 168.1 | 0 | 0 | 0 | 117.2 | D86 Y90 V109 | D86-L88 VanDerWaalsContact C-N 3.26Å; D86-L88 HydrophobicContact CB-CD1 4.2Å; D86-L88 HydrophobicContact CB-CG 4.48Å; D86-L88 WeakPolarHBondContact O-CG 3.47Å; D86-L88 PolarHBondContact O-N 3.35Å; L88-Y90 VanDerWaalsContact C-N 3.35Å; L88-Y90 VanDerWaalsContact O-CD1 3.22Å; L88-Y90 WeakPolarHBondContact O-CD1 3.31Å; L88-Y90 PolarHBondContact O-N 2.99Å; L88-V109 WeakPolarHBondContact O-CG2 3.33Å | ||
| 89 | A | 63.9 | Low | 69.7 | Low | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | trans | -84.9 | 73.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F81 | F81-A89 HydrophobicContact CB-CB 4.2Å; F81-A89 WeakPolarHBondContact CB-O 3.26Å; F81-A89 WeakPolarHBondContact CG-O 3.47Å | ||
| 90 | Y | 72.8 | Confident | 70.7 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | trans | -93.7 | 151 | 171.8 | 60.6 | -87.4 | 0 | 0 | 0 | 110.8 | L88 L92 V109 | L88-Y90 VanDerWaalsContact C-N 3.35Å; L88-Y90 VanDerWaalsContact O-CD1 3.22Å; L88-Y90 WeakPolarHBondContact O-CD1 3.31Å; L88-Y90 PolarHBondContact O-N 2.99Å; Y90-L92 HydrophobicContact CD2-CD2 4.4Å; Y90-L92 HydrophobicContact CE2-CD2 3.8Å; Y90-V109 HydrophobicContact CD1-CG1 4.23Å; Y90-V109 HydrophobicContact CD2-CG1 4.26Å; Y90-V109 HydrophobicContact CE1-CG1 3.73Å; Y90-V109 HydrophobicContact CE2-CG1 3.79Å; Y90-V109 HydrophobicContact CG-CG1 4.46Å; Y90-V109 VanDerWaalsContact CZ-CG1 3.5Å | ||
| 91 | P | 80.1 | Confident | 71.7 | Confident | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 142.4 | 178.1 | 28.3 | -33.4 | 0 | 0 | 0 | 111.1 | M42 A55 L61 F81 T106 S107 | M42-P91 VanDerWaalsContact CE-C 3.42Å; M42-P91 HydrophobicContact CE-CB 3.67Å; M42-P91 HydrophobicContact CE-CG 3.76Å; M42-P91 WeakPolarHBondContact CE-O 3.34Å; A55-P91 HydrophobicContact CB-CB 4.25Å; A55-P91 HydrophobicContact CB-CG 3.39Å; L61-P91 HydrophobicContact CD2-CG 4.16Å; F81-P91 HydrophobicContact CE2-CB 4.06Å; F81-P91 VanDerWaalsContact CE2-CD 3.47Å; F81-P91 HydrophobicContact CE2-CG 3.76Å; F81-P91 HydrophobicContact CZ-CB 3.68Å; F81-P91 HydrophobicContact CZ-CG 3.93Å; P91-T106 HydrophobicContact CB-CG2 4.33Å; P91-S107 CarbonylContact C-O 3.58Å; P91-S107 WeakPolarHBondContact CA-O 3.34Å |
| 92 | L | 81 | Confident | 73.1 | Confident | 17 Ų | 17 | 66 Ų | 66 | 9% | 0.089 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -26 | 176.1 | -69.3 | 176.7 | 0 | 0 | 0 | 113.3 | Y90 S107 V109 D132 F134 A240 | Y90-L92 HydrophobicContact CD2-CD2 4.4Å; Y90-L92 HydrophobicContact CE2-CD2 3.8Å; L92-S107 WeakPolarHBondContact CB-OG 3.4Å; L92-S107 PolarHBondContact N-O 3.39Å; L92-V109 HydrophobicContact CD1-CG1 4.13Å; L92-V109 HydrophobicContact CD2-CG1 3.77Å; L92-V109 HydrophobicContact CG-CG1 3.91Å; L92-D132 HydrophobicContact CD1-CB 3.74Å; L92-F134 HydrophobicContact CD2-CE1 4.35Å; L92-A240 WeakPolarHBondContact O-CB 3.26Å |
| 93 | C | 85.5 | Confident | 75 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.054 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 164.7 | 166.8 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | M42 T106 S107 A133 F134 I136 | M42-C93 WeakPolarHBondContact SD-CA 3.27Å; C93-T106 VanDerWaalsContact O-CA 3.25Å; C93-T106 WeakPolarHBondContact O-CA 3.28Å; C93-S107 PolarHBondContact N-OG 3.25Å; C93-S107 VanDerWaalsContact N-OG 3.07Å; C93-S107 PolarHBondContact O-N 2.79Å; C93-S107 VanDerWaalsContact O-N 3.14Å; C93-S107 PolarHBondContact SG-OG 3.5Å; C93-A133 PolarHBondContact SG-O 2.84Å; C93-F134 WeakPolarHBondContact CB-O 3.35Å; C93-I136 VanDerWaalsContact SG-CG1 3.56Å; C93-I136 VanDerWaalsContact SG-CG2 3.57Å |
| 94 | L | 88 | Confident | 77.1 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 137.5 | -177.8 | 172.5 | 71.2 | 0 | 0 | 0 | 110 | D44 L53 F104 M105 T106 | D44-L94 HydrophobicContact CB-CD2 4.03Å; D44-L94 HydrophobicContact CB-CG 4.25Å; L53-L94 HydrophobicContact CB-CD2 3.88Å; L53-L94 HydrophobicContact CD2-CD1 3.28Å; L53-L94 HydrophobicContact CD2-CD2 3.62Å; L53-L94 HydrophobicContact CD2-CG 3.89Å; L53-L94 HydrophobicContact CG-CD1 4.06Å; L53-L94 HydrophobicContact CG-CD2 3.49Å; L53-L94 VanDerWaalsContact CG-CD2 3.49Å; L53-L94 HydrophobicContact CG-CG 4.32Å; L94-F104 HydrophobicContact CD1-CD2 3.61Å; L94-F104 HydrophobicContact CD1-CE2 4.14Å; L94-F104 HydrophobicContact CD1-CG 4.45Å; L94-M105 WeakPolarHBondContact CA-O 3.18Å; L94-M105 WeakPolarHBondContact CD1-O 3.34Å; L94-T106 HydrophobicContact CD1-CG2 3.48Å; L94-T106 VanDerWaalsContact CD1-CG2 3.48Å |
| 95 | Q | 91.3 | Very high | 79.3 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 134.6 | 171.3 | -161 | -167.5 | 4 | 0 | 0 | 113.2 | D44 F104 M105 I136 | D44-Q95 WeakPolarHBondContact OD2-CA 3.21Å; Q95-F104 CarbonylContact O-C 3.55Å; Q95-F104 WeakPolarHBondContact O-CA 3.32Å; Q95-F104 WeakPolarHBondContact O-CB 3.12Å; Q95-M105 PolarHBondContact N-O 2.85Å; Q95-M105 PolarHBondContact O-N 3.22Å; Q95-I136 HydrophobicContact CB-CD1 3.71Å; Q95-I136 HydrophobicContact CB-CG1 3.67Å; Q95-I136 PolarHBondContact OE1-O 3.2Å |
| 96 | W | 91.6 | Very high | 81.6 | Confident | 6 Ų | 6 | 44 Ų | 44 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 150.5 | 166.2 | -73.6 | 100.2 | 0 | 0 | 0 | 112.2 | D44 L45 D46 L51 L53 M63 N101 F104 T118 | D44-W96 PolarHBondContact O-NE1 3.33Å; D44-W96 PolarHBondContact OD2-N 2.8Å; L45-W96 VanDerWaalsContact O-CD1 3.22Å; D46-W96 HydrophobicContact CB-CD2 3.66Å; D46-W96 HydrophobicContact CB-CE3 3.95Å; D46-W96 HydrophobicContact CB-CG 4.02Å; D46-W96 HydrophobicContact CB-CH2 4.38Å; D46-W96 HydrophobicContact CB-CZ2 4.11Å; D46-W96 HydrophobicContact CB-CZ3 4.31Å; L51-W96 HydrophobicContact CB-CH2 4.38Å; L51-W96 HydrophobicContact CB-CZ2 4.07Å; L51-W96 HydrophobicContact CD1-CH2 4.01Å; L53-W96 HydrophobicContact CB-CZ2 3.82Å; L53-W96 HydrophobicContact CD2-CZ2 4.12Å; M63-W96 HydrophobicContact SD-CH2 3.71Å; M63-W96 HydrophobicContact SD-CZ2 4.08Å; W96-N101 WeakPolarHBondContact CZ3-O 3.34Å; W96-F104 HydrophobicContact CD2-CB 3.99Å; W96-F104 HydrophobicContact CE3-CB 3.85Å; W96-F104 HydrophobicContact CE3-CD1 4.39Å; W96-F104 HydrophobicContact CG-CB 4.37Å; W96-F104 HydrophobicContact CH2-CD1 4.13Å; W96-F104 HydrophobicContact CZ3-CB 4.32Å; W96-F104 HydrophobicContact CZ3-CD1 4Å; W96-T118 HydrophobicContact CH2-CG2 3.84Å; W96-T118 HydrophobicContact CZ3-CG2 4.06Å; W96-T118 WeakPolarHBondContact CZ3-OG1 3.48Å |
| 97 | F | 92.5 | Very high | 83.5 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 130.3 | 168 | -80 | -109.9 | 0 | 0 | 0 | 109.3 | N99 D100 R103 M105 I115 I138 G143 L159 | F97-N99 PolarHBondContact O-N 2.83Å; F97-D100 HydrophobicContact CB-CB 3.81Å; F97-D100 PolarHBondContact O-N 2.83Å; F97-D100 VanDerWaalsContact O-N 3.11Å; F97-R103 HydrophobicContact CD2-CB 3.59Å; F97-R103 WeakPolarHBondContact CD2-O 3.44Å; F97-R103 HydrophobicContact CE2-CB 3.84Å; F97-R103 HydrophobicContact CG-CB 4.17Å; F97-R103 PolarHBondContact N-O 3.32Å; F97-R103 VanDerWaalsContact N-O 3.17Å; F97-M105 HydrophobicContact CE2-CB 4.36Å; F97-M105 HydrophobicContact CE2-CE 4.45Å; F97-M105 HydrophobicContact CZ-CE 4.09Å; F97-I115 HydrophobicContact CE2-CG2 4.22Å; F97-I115 HydrophobicContact CZ-CG2 4.31Å; F97-I138 HydrophobicContact CD1-CD1 4Å; F97-I138 HydrophobicContact CD1-CG2 4.41Å; F97-I138 HydrophobicContact CD2-CD1 3.82Å; F97-I138 HydrophobicContact CE1-CD1 4.11Å; F97-I138 HydrophobicContact CE2-CD1 3.95Å; F97-I138 HydrophobicContact CG-CD1 3.86Å; F97-I138 HydrophobicContact CZ-CD1 4.09Å; F97-G143 WeakPolarHBondContact CD1-O 3.5Å; F97-L159 HydrophobicContact CE1-CD1 4.01Å; F97-L159 HydrophobicContact CZ-CD1 4.17Å |
| 98 | P | 88.9 | Confident | 85.3 | Confident | 35 Ų | 35 | 36 Ų | 36 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.3 | -164 | 19.2 | -31 | 0 | 0 | 0 | 114.8 | C47 I138 P140 | C47-P98 WeakPolarHBondContact CB-O 3.49Å; P98-I138 HydrophobicContact CG-CB 4.46Å; P98-I138 HydrophobicContact CG-CG2 4.1Å; P98-P140 HydrophobicContact CB-CB 4.07Å; P98-P140 HydrophobicContact CG-CB 4.27Å |
| 99 | N | 88.4 | Confident | 86.6 | Confident | 119 Ų | 119 | 32.8 Ų | 32.8 | 64% | 0.636 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 18 | 178.7 | -54.9 | -51.2 | 0 | 0 | 0 | 112.2 | F97 P140 | F97-N99 PolarHBondContact O-N 2.83Å; N99-P140 PolarHBondContact ND2-O 2.78Å |
| 100 | D | 89.7 | Confident | 87.6 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 104.4 | -173.7 | -178.1 | 8.2 | 0 | 0 | 0 | 110.4 | F97 K102 R103 | F97-D100 HydrophobicContact CB-CB 3.81Å; F97-D100 PolarHBondContact O-N 2.83Å; F97-D100 VanDerWaalsContact O-N 3.11Å; D100-K102 PolarHBondContact O-N 2.84Å; D100-K102 WeakPolarHBondContact OD1-CA 3.5Å; D100-K102 WeakPolarHBondContact OD1-CB 3.44Å; D100-K102 WeakPolarHBondContact OD1-CG 3.15Å; D100-K102 PolarHBondContact OD1-N 3Å; D100-R103 IonicContact OD2-CZ 2.95Å; D100-R103 VanDerWaalsContact OD2-CZ 3.23Å; D100-R103 IonicContact OD2-NE 2.7Å; D100-R103 PolarHBondContact OD2-NE 2.87Å; D100-R103 IonicContact OD2-NH2 2.62Å; D100-R103 PolarHBondContact OD2-NH2 2.9Å |
| 101 | N | 89.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 36.8 Ų | 36.8 | 32% | 0.316 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 6.5 | 175.5 | 70 | -12.8 | 0 | 0 | 0 | 113.3 | D46 T48 W96 T118 | D46-N101 HydrophobicContact CB-CB 4.24Å; D46-N101 VanDerWaalsContact OD2-CB 3.26Å; D46-N101 WeakPolarHBondContact OD2-CB 3.36Å; T48-N101 HydrophobicContact CG2-CB 4.48Å; W96-N101 WeakPolarHBondContact CZ3-O 3.34Å; N101-T118 PolarHBondContact O-OG1 2.87Å |
| 102 | K | 91.9 | Very high | 88.7 | Confident | 142 Ų | 142 | 40.7 Ų | 40.7 | 62% | 0.617 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -12.3 | 174.1 | -54.6 | -179.3 | 179.9 | 179.9 | 0 | 112 | D100 T118 | D100-K102 PolarHBondContact O-N 2.84Å; D100-K102 WeakPolarHBondContact OD1-CA 3.5Å; D100-K102 WeakPolarHBondContact OD1-CB 3.44Å; D100-K102 WeakPolarHBondContact OD1-CG 3.15Å; D100-K102 PolarHBondContact OD1-N 3Å; K102-T118 VanDerWaalsContact O-CB 3.25Å; K102-T118 WeakPolarHBondContact O-CB 3.23Å; K102-T118 PolarHBondContact O-N 2.89Å; K102-T118 PolarHBondContact O-OG1 2.87Å |
| 103 | R | 92.4 | Very high | 89.2 | Confident | 71 Ų | 71 | 39.9 Ų | 39.9 | 27% | 0.268 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.5 | -178.1 | -68.6 | 178.4 | -69.3 | -179.8 | -1.5 | 112.1 | F97 D100 W116 T118 | F97-R103 HydrophobicContact CD2-CB 3.59Å; F97-R103 WeakPolarHBondContact CD2-O 3.44Å; F97-R103 HydrophobicContact CE2-CB 3.84Å; F97-R103 HydrophobicContact CG-CB 4.17Å; F97-R103 PolarHBondContact N-O 3.32Å; F97-R103 VanDerWaalsContact N-O 3.17Å; D100-R103 IonicContact OD2-CZ 2.95Å; D100-R103 VanDerWaalsContact OD2-CZ 3.23Å; D100-R103 IonicContact OD2-NE 2.7Å; D100-R103 PolarHBondContact OD2-NE 2.87Å; D100-R103 IonicContact OD2-NH2 2.62Å; D100-R103 PolarHBondContact OD2-NH2 2.9Å; R103-W116 VanDerWaalsContact CA-O 3.27Å; R103-W116 WeakPolarHBondContact CA-O 3.29Å; R103-T118 PolarHBondContact N-OG1 3.06Å |
| 104 | F | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 169.8 | 167.8 | 63.2 | -91.2 | 0 | 0 | 0 | 109 | L53 L61 L94 Q95 W96 T106 W116 F121 | L53-F104 HydrophobicContact CD1-CZ 4.39Å; L53-F104 HydrophobicContact CD2-CB 4.07Å; L53-F104 HydrophobicContact CD2-CD1 3.81Å; L53-F104 HydrophobicContact CD2-CD2 3.4Å; L53-F104 HydrophobicContact CD2-CE1 4.04Å; L53-F104 HydrophobicContact CD2-CE2 3.64Å; L53-F104 HydrophobicContact CD2-CG 3.47Å; L53-F104 VanDerWaalsContact CD2-CG 3.47Å; L53-F104 HydrophobicContact CD2-CZ 3.95Å; L61-F104 HydrophobicContact CD1-CE2 3.74Å; L61-F104 HydrophobicContact CD1-CZ 4.06Å; L94-F104 HydrophobicContact CD1-CD2 3.61Å; L94-F104 HydrophobicContact CD1-CE2 4.14Å; L94-F104 HydrophobicContact CD1-CG 4.45Å; Q95-F104 CarbonylContact O-C 3.55Å; Q95-F104 WeakPolarHBondContact O-CA 3.32Å; Q95-F104 WeakPolarHBondContact O-CB 3.12Å; W96-F104 HydrophobicContact CD2-CB 3.99Å; W96-F104 HydrophobicContact CE3-CB 3.85Å; W96-F104 HydrophobicContact CE3-CD1 4.39Å; W96-F104 HydrophobicContact CG-CB 4.37Å; W96-F104 HydrophobicContact CH2-CD1 4.13Å; W96-F104 HydrophobicContact CZ3-CB 4.32Å; W96-F104 HydrophobicContact CZ3-CD1 4Å; F104-T106 HydrophobicContact CD2-CG2 4.38Å; F104-T106 HydrophobicContact CE2-CG2 4.27Å; F104-W116 HydrophobicContact CD1-CB 3.91Å; F104-W116 HydrophobicContact CD2-CB 3.74Å; F104-W116 AromaticContact CD2-CD1 3.68Å; F104-W116 AromaticContact CD2-CG 3.81Å; F104-W116 HydrophobicContact CD2-CG 3.81Å; F104-W116 HydrophobicContact CE1-CB 3.5Å; F104-W116 VanDerWaalsContact CE1-CB 3.5Å; F104-W116 HydrophobicContact CE1-CG 4.23Å; F104-W116 HydrophobicContact CE2-CB 3.31Å; F104-W116 AromaticContact CE2-CD1 3.3Å; F104-W116 AromaticContact CE2-CD2 3.76Å; F104-W116 HydrophobicContact CE2-CD2 3.76Å; F104-W116 AromaticContact CE2-CG 3.15Å; F104-W116 HydrophobicContact CE2-CG 3.15Å; F104-W116 AromaticContact CE2-NE1 3.94Å; F104-W116 HydrophobicContact CG-CB 4.03Å; F104-W116 HydrophobicContact CZ-CB 3.19Å; F104-W116 AromaticContact CZ-CD2 3.85Å; F104-W116 HydrophobicContact CZ-CD2 3.85Å; F104-W116 HydrophobicContact CZ-CE3 4.21Å; F104-W116 AromaticContact CZ-CG 3.41Å; F104-W116 HydrophobicContact CZ-CG 3.41Å; F104-W116 VanDerWaalsContact CZ-CG 3.41Å; F104-W116 PolarHBondContact N-O 3.07Å; F104-W116 PolarHBondContact O-N 2.97Å; F104-F121 AromaticContact CE1-CD2 3.9Å; F104-F121 HydrophobicContact CE1-CD2 3.9Å; F104-F121 AromaticContact CE1-CE2 3.53Å; F104-F121 HydrophobicContact CE1-CE2 3.53Å; F104-F121 HydrophobicContact CZ-CD2 4.03Å; F104-F121 AromaticContact CZ-CE2 3.49Å; F104-F121 HydrophobicContact CZ-CE2 3.49Å; F104-F121 VanDerWaalsContact CZ-CE2 3.49Å; F104-F121 HydrophobicContact CZ-CZ 4.18Å |
| 105 | M | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143 | -178.1 | -172.4 | 178.8 | -71.3 | 0 | 0 | 110.4 | L94 Q95 F97 L113 N114 I115 I136 L147 L159 | L94-M105 WeakPolarHBondContact CA-O 3.18Å; L94-M105 WeakPolarHBondContact CD1-O 3.34Å; Q95-M105 PolarHBondContact N-O 2.85Å; Q95-M105 PolarHBondContact O-N 3.22Å; F97-M105 HydrophobicContact CE2-CB 4.36Å; F97-M105 HydrophobicContact CE2-CE 4.45Å; F97-M105 HydrophobicContact CZ-CE 4.09Å; M105-L113 HydrophobicContact CG-CD2 4.44Å; M105-L113 HydrophobicContact SD-CB 4.48Å; M105-L113 HydrophobicContact SD-CD1 4.35Å; M105-L113 HydrophobicContact SD-CD2 4.15Å; M105-N114 CarbonylContact C-O 3.57Å; M105-N114 VanDerWaalsContact CA-O 3.22Å; M105-N114 WeakPolarHBondContact CA-O 3.08Å; M105-N114 WeakPolarHBondContact CG-O 3.3Å; M105-I115 HydrophobicContact CE-CD1 4.05Å; M105-I115 HydrophobicContact CE-CG1 3.65Å; M105-I136 HydrophobicContact CB-CD1 3.79Å; M105-I136 HydrophobicContact CG-CD1 3.81Å; M105-I136 WeakPolarHBondContact O-CD1 3.2Å; M105-I136 HydrophobicContact SD-CD1 4.13Å; M105-L147 HydrophobicContact CE-CD2 4.19Å; M105-L147 HydrophobicContact SD-CD1 4.14Å; M105-L147 HydrophobicContact SD-CD2 3.51Å; M105-L147 VanDerWaalsContact SD-CD2 3.51Å; M105-L147 HydrophobicContact SD-CG 4.42Å; M105-L159 HydrophobicContact CE-CD1 3.92Å; M105-L159 HydrophobicContact CE-CD2 3.72Å |
| 106 | T | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 154.1 | 167.9 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | L61 F81 P91 C93 L94 F104 L113 N114 W116 | L61-T106 HydrophobicContact CD1-CG2 4.14Å; L61-T106 HydrophobicContact CD2-CG2 4.23Å; F81-T106 HydrophobicContact CZ-CG2 4.27Å; P91-T106 HydrophobicContact CB-CG2 4.33Å; C93-T106 VanDerWaalsContact O-CA 3.25Å; C93-T106 WeakPolarHBondContact O-CA 3.28Å; L94-T106 HydrophobicContact CD1-CG2 3.48Å; L94-T106 VanDerWaalsContact CD1-CG2 3.48Å; F104-T106 HydrophobicContact CD2-CG2 4.38Å; F104-T106 HydrophobicContact CE2-CG2 4.27Å; T106-L113 WeakPolarHBondContact O-CA 3.43Å; T106-N114 PolarHBondContact N-O 3.14Å; T106-N114 PolarHBondContact O-N 3Å; T106-W116 PolarHBondContact OG1-NE1 2.76Å |
| 107 | S | 89 | Confident | 89.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 159.1 | 154.5 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | P91 L92 C93 R112 A133 | P91-S107 CarbonylContact C-O 3.58Å; P91-S107 WeakPolarHBondContact CA-O 3.34Å; L92-S107 WeakPolarHBondContact CB-OG 3.4Å; L92-S107 PolarHBondContact N-O 3.39Å; C93-S107 PolarHBondContact N-OG 3.25Å; C93-S107 VanDerWaalsContact N-OG 3.07Å; C93-S107 PolarHBondContact O-N 2.79Å; C93-S107 VanDerWaalsContact O-N 3.14Å; C93-S107 PolarHBondContact SG-OG 3.5Å; S107-R112 VanDerWaalsContact CA-O 3.25Å; S107-R112 WeakPolarHBondContact CA-O 3.07Å; S107-A133 WeakPolarHBondContact CB-O 3.26Å; S107-A133 PolarHBondContact OG-O 2.78Å |
| 108 | D | 86.1 | Confident | 89.6 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 168.3 | 173.9 | 61.2 | 37.2 | 0 | 0 | 0 | 111.5 | F81 K110 E111 R112 N114 | F81-D108 HydrophobicContact CE1-CB 4.48Å; D108-K110 PolarHBondContact O-N 3.32Å; D108-K110 VanDerWaalsContact O-N 3.12Å; D108-K110 WeakPolarHBondContact OD1-CA 3.18Å; D108-K110 WeakPolarHBondContact OD1-CB 3.24Å; D108-K110 PolarHBondContact OD1-N 3.09Å; D108-E111 PolarHBondContact O-N 2.99Å; D108-E111 VanDerWaalsContact O-N 3.13Å; D108-E111 PolarHBondContact OD1-N 2.91Å; D108-R112 PolarHBondContact N-O 3.03Å; D108-R112 VanDerWaalsContact N-O 3.16Å; D108-R112 WeakPolarHBondContact OD1-CB 3.42Å; D108-R112 PolarHBondContact OD1-N 3.1Å; D108-R112 VanDerWaalsContact OD1-N 3.16Å; D108-N114 PolarHBondContact OD2-ND2 3Å |
| 109 | V | 81.7 | Confident | 89.5 | Confident | 44 Ų | 44 | 43 Ų | 43 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -3.4 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 114.3 | L88 Y90 L92 | L88-V109 WeakPolarHBondContact O-CG2 3.33Å; Y90-V109 HydrophobicContact CD1-CG1 4.23Å; Y90-V109 HydrophobicContact CD2-CG1 4.26Å; Y90-V109 HydrophobicContact CE1-CG1 3.73Å; Y90-V109 HydrophobicContact CE2-CG1 3.79Å; Y90-V109 HydrophobicContact CG-CG1 4.46Å; Y90-V109 VanDerWaalsContact CZ-CG1 3.5Å; L92-V109 HydrophobicContact CD1-CG1 4.13Å; L92-V109 HydrophobicContact CD2-CG1 3.77Å; L92-V109 HydrophobicContact CG-CG1 3.91Å |
| 110 | K | 83.5 | Confident | 89.5 | Confident | 97 Ų | 97 | 40.6 Ų | 40.6 | 42% | 0.422 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 16.2 | 172.3 | -62.9 | -170.1 | 171.3 | -167.4 | 0 | 111.2 | N83 D108 R112 | N83-K110 PolarHBondContact O-NZ 3.15Å; D108-K110 PolarHBondContact O-N 3.32Å; D108-K110 VanDerWaalsContact O-N 3.12Å; D108-K110 WeakPolarHBondContact OD1-CA 3.18Å; D108-K110 WeakPolarHBondContact OD1-CB 3.24Å; D108-K110 PolarHBondContact OD1-N 3.09Å; K110-R112 VanDerWaalsContact C-N 3.25Å; K110-R112 HydrophobicContact CB-CG 4.25Å; K110-R112 WeakPolarHBondContact O-CG 3.35Å; K110-R112 PolarHBondContact O-N 2.6Å |
| 111 | E | 87.8 | Confident | 89.4 | Confident | 83 Ų | 83 | 40 Ų | 40 | 39% | 0.388 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 39 | 179.4 | -51 | 178.6 | 174.7 | 0 | 0 | 111.9 | D108 P128 I129 G130 G131 | D108-E111 PolarHBondContact O-N 2.99Å; D108-E111 VanDerWaalsContact O-N 3.13Å; D108-E111 PolarHBondContact OD1-N 2.91Å; E111-P128 WeakPolarHBondContact O-CA 3.5Å; E111-I129 HydrophobicContact CB-CG1 4.49Å; E111-I129 WeakPolarHBondContact O-CG1 2.91Å; E111-I129 PolarHBondContact O-N 3.13Å; E111-G130 VanDerWaalsContact OE2-CA 3.27Å; E111-G130 WeakPolarHBondContact OE2-CA 3.39Å; E111-G131 PolarHBondContact OE2-N 3.16Å |
| 112 | R | 88.9 | Confident | 89.3 | Confident | 90 Ų | 90 | 40.9 Ų | 40.9 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 147.9 | 178.1 | -52.6 | -176.1 | 68 | 96.3 | 1.8 | 111.2 | S107 D108 K110 S126 F127 | S107-R112 VanDerWaalsContact CA-O 3.25Å; S107-R112 WeakPolarHBondContact CA-O 3.07Å; D108-R112 PolarHBondContact N-O 3.03Å; D108-R112 VanDerWaalsContact N-O 3.16Å; D108-R112 WeakPolarHBondContact OD1-CB 3.42Å; D108-R112 PolarHBondContact OD1-N 3.1Å; D108-R112 VanDerWaalsContact OD1-N 3.16Å; K110-R112 VanDerWaalsContact C-N 3.25Å; K110-R112 HydrophobicContact CB-CG 4.25Å; K110-R112 WeakPolarHBondContact O-CG 3.35Å; K110-R112 PolarHBondContact O-N 2.6Å; R112-S126 PolarHBondContact NE-OG 3.13Å; R112-S126 PolarHBondContact NH2-O 3.2Å; R112-S126 VanDerWaalsContact NH2-O 3.16Å; R112-S126 PolarHBondContact NH2-OG 3.25Å; R112-S126 VanDerWaalsContact NH2-OG 3.07Å; R112-F127 WeakPolarHBondContact CA-O 3.34Å |
| 113 | L | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.7 | 159.9 | -72.5 | 175.6 | 0 | 0 | 0 | 109.3 | M105 T106 S126 F127 I129 I136 L147 A149 | M105-L113 HydrophobicContact CG-CD2 4.44Å; M105-L113 HydrophobicContact SD-CB 4.48Å; M105-L113 HydrophobicContact SD-CD1 4.35Å; M105-L113 HydrophobicContact SD-CD2 4.15Å; T106-L113 WeakPolarHBondContact O-CA 3.43Å; L113-S126 VanDerWaalsContact O-CA 3.28Å; L113-S126 WeakPolarHBondContact O-CA 3.5Å; L113-F127 HydrophobicContact CB-CD1 4.4Å; L113-F127 HydrophobicContact CB-CD2 4.32Å; L113-F127 HydrophobicContact CB-CE1 3.89Å; L113-F127 HydrophobicContact CB-CE2 3.82Å; L113-F127 HydrophobicContact CB-CZ 3.58Å; L113-F127 HydrophobicContact CD1-CE2 3.61Å; L113-F127 HydrophobicContact CD1-CZ 3.63Å; L113-F127 HydrophobicContact CG-CE2 4.26Å; L113-F127 HydrophobicContact CG-CZ 4.26Å; L113-F127 PolarHBondContact N-O 3.46Å; L113-F127 PolarHBondContact O-N 2.78Å; L113-I129 HydrophobicContact CB-CG2 4.27Å; L113-I129 HydrophobicContact CD1-CG2 3.54Å; L113-I129 HydrophobicContact CG-CD1 4.22Å; L113-I129 HydrophobicContact CG-CG2 3.61Å; L113-I136 HydrophobicContact CD2-CG2 3.69Å; L113-L147 HydrophobicContact CD1-CD2 3.35Å; L113-A149 HydrophobicContact CD1-CB 4.44Å |
| 114 | N | 91.1 | Very high | 89 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.5 | -178 | -58.3 | -68.9 | 0 | 0 | 0 | 109.1 | M105 T106 D108 W116 T123 S126 | M105-N114 CarbonylContact C-O 3.57Å; M105-N114 VanDerWaalsContact CA-O 3.22Å; M105-N114 WeakPolarHBondContact CA-O 3.08Å; M105-N114 WeakPolarHBondContact CG-O 3.3Å; T106-N114 PolarHBondContact N-O 3.14Å; T106-N114 PolarHBondContact O-N 3Å; D108-N114 PolarHBondContact OD2-ND2 3Å; N114-W116 VanDerWaalsContact O-CD1 3.3Å; N114-T123 HydrophobicContact CB-CG2 4.11Å; N114-S126 VanDerWaalsContact OD1-CB 3.29Å; N114-S126 WeakPolarHBondContact OD1-CB 2.87Å; N114-S126 PolarHBondContact OD1-OG 2.75Å |
| 115 | I | 91.9 | Very high | 88.9 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.7 | 170.8 | -60.2 | 174.7 | 0 | 0 | 0 | 107.3 | F97 M105 T123 A124 S125 F127 | F97-I115 HydrophobicContact CE2-CG2 4.22Å; F97-I115 HydrophobicContact CZ-CG2 4.31Å; M105-I115 HydrophobicContact CE-CD1 4.05Å; M105-I115 HydrophobicContact CE-CG1 3.65Å; I115-T123 CarbonylContact O-C 3.47Å; I115-T123 WeakPolarHBondContact O-CA 3.34Å; I115-A124 PolarHBondContact O-N 3.23Å; I115-S125 PolarHBondContact N-O 2.84Å; I115-S125 PolarHBondContact O-N 2.63Å; I115-F127 HydrophobicContact CD1-CE1 4.35Å |
| 116 | W | 92.8 | Very high | 88.8 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.7 | -177.2 | -63.5 | 81.5 | 0 | 0 | 0 | 110.7 | L61 A79 F81 R103 F104 T106 N114 V122 T123 | L61-W116 HydrophobicContact CD1-CD2 3.98Å; L61-W116 HydrophobicContact CD1-CE3 4.21Å; L61-W116 HydrophobicContact CD1-CH2 3.86Å; L61-W116 HydrophobicContact CD1-CZ2 3.6Å; L61-W116 HydrophobicContact CD1-CZ3 4.15Å; A79-W116 HydrophobicContact CB-CH2 4.37Å; A79-W116 HydrophobicContact CB-CZ3 3.83Å; F81-W116 HydrophobicContact CD1-CZ2 4.12Å; F81-W116 HydrophobicContact CE1-CH2 4.42Å; F81-W116 AromaticContact CE1-CZ2 3.62Å; F81-W116 HydrophobicContact CE1-CZ2 3.62Å; F81-W116 HydrophobicContact CE2-CZ2 4.41Å; F81-W116 AromaticContact CZ-CZ2 3.76Å; F81-W116 HydrophobicContact CZ-CZ2 3.76Å; R103-W116 VanDerWaalsContact CA-O 3.27Å; R103-W116 WeakPolarHBondContact CA-O 3.29Å; F104-W116 HydrophobicContact CD1-CB 3.91Å; F104-W116 HydrophobicContact CD2-CB 3.74Å; F104-W116 AromaticContact CD2-CD1 3.68Å; F104-W116 AromaticContact CD2-CG 3.81Å; F104-W116 HydrophobicContact CD2-CG 3.81Å; F104-W116 HydrophobicContact CE1-CB 3.5Å; F104-W116 VanDerWaalsContact CE1-CB 3.5Å; F104-W116 HydrophobicContact CE1-CG 4.23Å; F104-W116 HydrophobicContact CE2-CB 3.31Å; F104-W116 AromaticContact CE2-CD1 3.3Å; F104-W116 AromaticContact CE2-CD2 3.76Å; F104-W116 HydrophobicContact CE2-CD2 3.76Å; F104-W116 AromaticContact CE2-CG 3.15Å; F104-W116 HydrophobicContact CE2-CG 3.15Å; F104-W116 AromaticContact CE2-NE1 3.94Å; F104-W116 HydrophobicContact CG-CB 4.03Å; F104-W116 HydrophobicContact CZ-CB 3.19Å; F104-W116 AromaticContact CZ-CD2 3.85Å; F104-W116 HydrophobicContact CZ-CD2 3.85Å; F104-W116 HydrophobicContact CZ-CE3 4.21Å; F104-W116 AromaticContact CZ-CG 3.41Å; F104-W116 HydrophobicContact CZ-CG 3.41Å; F104-W116 VanDerWaalsContact CZ-CG 3.41Å; F104-W116 PolarHBondContact N-O 3.07Å; F104-W116 PolarHBondContact O-N 2.97Å; T106-W116 PolarHBondContact OG1-NE1 2.76Å; N114-W116 VanDerWaalsContact O-CD1 3.3Å; W116-V122 WeakPolarHBondContact CA-O 3.38Å; W116-T123 HydrophobicContact CD2-CG2 3.94Å; W116-T123 HydrophobicContact CE3-CG2 4.04Å; W116-T123 HydrophobicContact CH2-CG2 3.76Å; W116-T123 HydrophobicContact CZ2-CG2 3.63Å; W116-T123 HydrophobicContact CZ3-CG2 3.96Å |
| 117 | D | 90.9 | Very high | 88.8 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.5 | 166.2 | 175.7 | -96.9 | 0 | 0 | 0 | 109 | A119 S120 F121 V122 A124 | D117-A119 WeakPolarHBondContact OD1-CB 3.45Å; D117-A119 PolarHBondContact OD1-N 3.36Å; D117-S120 WeakPolarHBondContact CB-OG 3.37Å; D117-S120 WeakPolarHBondContact OD1-CB 3.23Å; D117-S120 PolarHBondContact OD1-N 2.95Å; D117-S120 PolarHBondContact OD1-OG 3.41Å; D117-F121 WeakPolarHBondContact O-CA 3.33Å; D117-F121 PolarHBondContact O-N 3.22Å; D117-V122 PolarHBondContact N-O 2.93Å; D117-A124 HydrophobicContact CB-CB 4.24Å |
| 118 | T | 90.6 | Very high | 88.8 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -30.5 | -173.4 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | M63 W96 N101 K102 R103 | M63-T118 HydrophobicContact CE-CG2 3.63Å; M63-T118 HydrophobicContact SD-CG2 3.54Å; M63-T118 VanDerWaalsContact SD-CG2 3.54Å; W96-T118 HydrophobicContact CH2-CG2 3.84Å; W96-T118 HydrophobicContact CZ3-CG2 4.06Å; W96-T118 WeakPolarHBondContact CZ3-OG1 3.48Å; N101-T118 PolarHBondContact O-OG1 2.87Å; K102-T118 VanDerWaalsContact O-CB 3.25Å; K102-T118 WeakPolarHBondContact O-CB 3.23Å; K102-T118 PolarHBondContact O-N 2.89Å; K102-T118 PolarHBondContact O-OG1 2.87Å; R103-T118 PolarHBondContact N-OG1 3.06Å |
| 119 | A | 88 | Confident | 89 | Confident | 73 Ų | 73 | 46.2 Ų | 46.2 | 60% | 0.603 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -48.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D117 | D117-A119 WeakPolarHBondContact OD1-CB 3.45Å; D117-A119 PolarHBondContact OD1-N 3.36Å |
| 120 | S | 87.2 | Confident | 89.1 | Confident | 67 Ų | 67 | 47 Ų | 47 | 47% | 0.469 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19 | 178.7 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | D117 V122 | D117-S120 WeakPolarHBondContact CB-OG 3.37Å; D117-S120 WeakPolarHBondContact OD1-CB 3.23Å; D117-S120 PolarHBondContact OD1-N 2.95Å; D117-S120 PolarHBondContact OD1-OG 3.41Å; S120-V122 PolarHBondContact O-N 2.85Å; S120-V122 WeakPolarHBondContact OG-CG2 3.36Å |
| 121 | F | 87.8 | Confident | 89.2 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 39.8 | -177.3 | -145.4 | -123.6 | 0 | 0 | 0 | 113.2 | L53 L61 M63 R77 A79 F104 D117 | L53-F121 HydrophobicContact CD1-CE2 4.04Å; L53-F121 HydrophobicContact CD1-CZ 3.87Å; L61-F121 HydrophobicContact CB-CE1 3.99Å; L61-F121 HydrophobicContact CB-CZ 3.79Å; L61-F121 WeakPolarHBondContact O-CE1 3.43Å; M63-F121 HydrophobicContact CB-CE2 4.1Å; M63-F121 HydrophobicContact CB-CZ 4.11Å; R77-F121 HydrophobicContact CB-CB 4.16Å; R77-F121 HydrophobicContact CB-CD1 3.55Å; R77-F121 HydrophobicContact CB-CD2 3.98Å; R77-F121 HydrophobicContact CB-CE1 3.8Å; R77-F121 HydrophobicContact CB-CE2 4.22Å; R77-F121 HydrophobicContact CB-CG 3.65Å; R77-F121 HydrophobicContact CB-CZ 4.14Å; R77-F121 HydrophobicContact CG-CB 4.2Å; R77-F121 HydrophobicContact CG-CD1 4.47Å; R77-F121 HydrophobicContact CG-CD2 4.32Å; R77-F121 HydrophobicContact CG-CG 4.12Å; A79-F121 HydrophobicContact CB-CD1 3.32Å; A79-F121 HydrophobicContact CB-CE1 3.47Å; A79-F121 VanDerWaalsContact CB-CE1 3.47Å; A79-F121 HydrophobicContact CB-CG 4.3Å; A79-F121 VanDerWaalsContact N-CE1 3.26Å; F104-F121 AromaticContact CE1-CD2 3.9Å; F104-F121 HydrophobicContact CE1-CD2 3.9Å; F104-F121 AromaticContact CE1-CE2 3.53Å; F104-F121 HydrophobicContact CE1-CE2 3.53Å; F104-F121 HydrophobicContact CZ-CD2 4.03Å; F104-F121 AromaticContact CZ-CE2 3.49Å; F104-F121 HydrophobicContact CZ-CE2 3.49Å; F104-F121 VanDerWaalsContact CZ-CE2 3.49Å; F104-F121 HydrophobicContact CZ-CZ 4.18Å; D117-F121 WeakPolarHBondContact O-CA 3.33Å; D117-F121 PolarHBondContact O-N 3.22Å |
| 122 | V | 86.7 | Confident | 89 | Confident | 78 Ų | 78 | 41.9 Ų | 41.9 | 47% | 0.473 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 161.2 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | W116 D117 S120 A124 | W116-V122 WeakPolarHBondContact CA-O 3.38Å; D117-V122 PolarHBondContact N-O 2.93Å; S120-V122 PolarHBondContact O-N 2.85Å; S120-V122 WeakPolarHBondContact OG-CG2 3.36Å; V122-A124 PolarHBondContact O-N 3.36Å |
| 123 | T | 88.4 | Confident | 88.9 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 112.3 | 173.5 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | N114 I115 W116 | N114-T123 HydrophobicContact CB-CG2 4.11Å; I115-T123 CarbonylContact O-C 3.47Å; I115-T123 WeakPolarHBondContact O-CA 3.34Å; W116-T123 HydrophobicContact CD2-CG2 3.94Å; W116-T123 HydrophobicContact CE3-CG2 4.04Å; W116-T123 HydrophobicContact CH2-CG2 3.76Å; W116-T123 HydrophobicContact CZ2-CG2 3.63Å; W116-T123 HydrophobicContact CZ3-CG2 3.96Å |
| 124 | A | 90.1 | Very high | 88.6 | Confident | 69 Ų | 69 | 38.7 Ų | 38.7 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -31.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I115 D117 V122 | I115-A124 PolarHBondContact O-N 3.23Å; D117-A124 HydrophobicContact CB-CB 4.24Å; V122-A124 PolarHBondContact O-N 3.36Å |
| 125 | S | 89.9 | Confident | 88.5 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152.6 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 110 | I115 | I115-S125 PolarHBondContact N-O 2.84Å; I115-S125 PolarHBondContact O-N 2.63Å |
| 126 | S | 89.9 | Confident | 88.5 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 130.9 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | R112 L113 N114 | R112-S126 PolarHBondContact NE-OG 3.13Å; R112-S126 PolarHBondContact NH2-O 3.2Å; R112-S126 VanDerWaalsContact NH2-O 3.16Å; R112-S126 PolarHBondContact NH2-OG 3.25Å; R112-S126 VanDerWaalsContact NH2-OG 3.07Å; L113-S126 VanDerWaalsContact O-CA 3.28Å; L113-S126 WeakPolarHBondContact O-CA 3.5Å; N114-S126 VanDerWaalsContact OD1-CB 3.29Å; N114-S126 WeakPolarHBondContact OD1-CB 2.87Å; N114-S126 PolarHBondContact OD1-OG 2.75Å |
| 127 | F | 91 | Very high | 88.5 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 145.7 | -177.3 | 57.6 | -85.7 | 0 | 0 | 0 | 112.1 | R112 L113 I115 I129 W157 L159 T162 | R112-F127 WeakPolarHBondContact CA-O 3.34Å; L113-F127 HydrophobicContact CB-CD1 4.4Å; L113-F127 HydrophobicContact CB-CD2 4.32Å; L113-F127 HydrophobicContact CB-CE1 3.89Å; L113-F127 HydrophobicContact CB-CE2 3.82Å; L113-F127 HydrophobicContact CB-CZ 3.58Å; L113-F127 HydrophobicContact CD1-CE2 3.61Å; L113-F127 HydrophobicContact CD1-CZ 3.63Å; L113-F127 HydrophobicContact CG-CE2 4.26Å; L113-F127 HydrophobicContact CG-CZ 4.26Å; L113-F127 PolarHBondContact N-O 3.46Å; L113-F127 PolarHBondContact O-N 2.78Å; I115-F127 HydrophobicContact CD1-CE1 4.35Å; F127-I129 HydrophobicContact CD2-CG2 4.23Å; F127-I129 HydrophobicContact CE2-CG2 4.1Å; F127-W157 HydrophobicContact CD2-CE3 4.42Å; F127-W157 HydrophobicContact CD2-CZ3 4.35Å; F127-W157 HydrophobicContact CE2-CD2 4.22Å; F127-W157 HydrophobicContact CE2-CE3 4.05Å; F127-W157 HydrophobicContact CE2-CZ3 4.4Å; F127-L159 HydrophobicContact CE1-CD2 4.42Å; F127-L159 HydrophobicContact CZ-CD2 3.94Å; F127-T162 HydrophobicContact CD1-CG2 3.67Å; F127-T162 HydrophobicContact CD2-CG2 4.22Å; F127-T162 HydrophobicContact CE1-CG2 3.7Å; F127-T162 HydrophobicContact CE2-CG2 4.22Å; F127-T162 HydrophobicContact CG-CG2 3.95Å; F127-T162 HydrophobicContact CZ-CG2 3.97Å |
| 128 | P | 90.3 | Very high | 88.6 | Confident | 84 Ų | 84 | 36 Ų | 36 | 55% | 0.545 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 146.3 | 179.9 | 31.7 | -34.8 | 0 | 0 | 0 | 111.4 | E111 | E111-P128 WeakPolarHBondContact O-CA 3.5Å |
| 129 | I | 89.3 | Confident | 88.7 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | trans | -120.1 | -11.2 | 176.7 | 55.2 | 161.7 | 0 | 0 | 0 | 114.3 | E111 L113 F127 G131 A133 W157 | E111-I129 HydrophobicContact CB-CG1 4.49Å; E111-I129 WeakPolarHBondContact O-CG1 2.91Å; E111-I129 PolarHBondContact O-N 3.13Å; L113-I129 HydrophobicContact CB-CG2 4.27Å; L113-I129 HydrophobicContact CD1-CG2 3.54Å; L113-I129 HydrophobicContact CG-CD1 4.22Å; L113-I129 HydrophobicContact CG-CG2 3.61Å; F127-I129 HydrophobicContact CD2-CG2 4.23Å; F127-I129 HydrophobicContact CE2-CG2 4.1Å; I129-G131 WeakPolarHBondContact CD1-O 3.16Å; I129-G131 WeakPolarHBondContact CG1-O 3.28Å; I129-A133 HydrophobicContact CD1-CB 3.37Å; I129-W157 HydrophobicContact CB-CZ2 3.94Å; I129-W157 HydrophobicContact CG2-CH2 4.24Å; I129-W157 HydrophobicContact CG2-CZ2 3.64Å | ||
| 130 | G | 84 | Confident | 88.7 | Confident | 60 Ų | 60 | 33.3 Ų | 33.3 | 62% | 0.619 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 75.6 | 23.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E111 | E111-G130 VanDerWaalsContact OE2-CA 3.27Å; E111-G130 WeakPolarHBondContact OE2-CA 3.39Å |
| 131 | G | 85.3 | Confident | 88.7 | Confident | 9 Ų | 9 | 35.1 Ų | 35.1 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 174.8 | 167.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | E111 I129 A133 | E111-G131 PolarHBondContact OE2-N 3.16Å; I129-G131 WeakPolarHBondContact CD1-O 3.16Å; I129-G131 WeakPolarHBondContact CG1-O 3.28Å; G131-A133 PolarHBondContact O-N 2.94Å |
| 132 | D | 84.2 | Confident | 88.5 | Confident | 64 Ų | 64 | 36.1 Ų | 36.1 | 34% | 0.342 | 24% | 0.243 | S | C | . | . | trans | -69.2 | 119.7 | 178.7 | -68.3 | -34.3 | 0 | 0 | 0 | 111.4 | L92 F134 | L92-D132 HydrophobicContact CD1-CB 3.74Å; D132-F134 HydrophobicContact CB-CE2 3.94Å; D132-F134 HydrophobicContact CB-CZ 3.92Å | ||
| 133 | A | 87.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -96.1 | 101.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C93 S107 I129 G131 T135 A149 G150 | C93-A133 PolarHBondContact SG-O 2.84Å; S107-A133 WeakPolarHBondContact CB-O 3.26Å; S107-A133 PolarHBondContact OG-O 2.78Å; I129-A133 HydrophobicContact CD1-CB 3.37Å; G131-A133 PolarHBondContact O-N 2.94Å; A133-T135 VanDerWaalsContact C-N 3.28Å; A133-T135 PolarHBondContact O-N 3.38Å; A133-A149 HydrophobicContact CB-CB 4.16Å; A133-G150 VanDerWaalsContact CA-O 3.29Å; A133-G150 WeakPolarHBondContact CA-O 3.25Å | ||
| 134 | F | 84.2 | Confident | 86.4 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -78.4 | -12 | 176.5 | -62.3 | -73.3 | 0 | 0 | 0 | 113.2 | L92 C93 D132 G150 E238 A240 | L92-F134 HydrophobicContact CD2-CE1 4.35Å; C93-F134 WeakPolarHBondContact CB-O 3.35Å; D132-F134 HydrophobicContact CB-CE2 3.94Å; D132-F134 HydrophobicContact CB-CZ 3.92Å; F134-G150 PolarHBondContact N-O 2.8Å; F134-E238 WeakPolarHBondContact CE1-O 3.1Å; F134-A240 HydrophobicContact CB-CB 4.09Å; F134-A240 WeakPolarHBondContact O-CB 3.48Å |
| 135 | T | 88.5 | Confident | 85.3 | Confident | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 144.5 | 176.3 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | A133 A149 G150 V191 G194 | A133-T135 VanDerWaalsContact C-N 3.28Å; A133-T135 PolarHBondContact O-N 3.38Å; T135-A149 CarbonylContact O-C 3.55Å; T135-A149 WeakPolarHBondContact O-CA 3.43Å; T135-G150 PolarHBondContact O-N 3.05Å; T135-V191 HydrophobicContact CG2-CG1 3.6Å; T135-G194 PolarHBondContact OG1-N 2.91Å; T135-G194 PolarHBondContact OG1-O 2.75Å |
| 136 | I | 91.7 | Very high | 84.6 | Confident | 9 Ų | 9 | 33 Ų | 33 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.4 | 168.8 | 57.3 | -179.8 | 0 | 0 | 0 | 108.9 | C93 Q95 M105 L113 L147 V148 A149 | C93-I136 VanDerWaalsContact SG-CG1 3.56Å; C93-I136 VanDerWaalsContact SG-CG2 3.57Å; Q95-I136 HydrophobicContact CB-CD1 3.71Å; Q95-I136 HydrophobicContact CB-CG1 3.67Å; Q95-I136 PolarHBondContact OE1-O 3.2Å; M105-I136 HydrophobicContact CB-CD1 3.79Å; M105-I136 HydrophobicContact CG-CD1 3.81Å; M105-I136 WeakPolarHBondContact O-CD1 3.2Å; M105-I136 HydrophobicContact SD-CD1 4.13Å; L113-I136 HydrophobicContact CD2-CG2 3.69Å; I136-L147 HydrophobicContact CB-CD1 3.79Å; I136-L147 HydrophobicContact CG2-CD1 4.26Å; I136-L147 HydrophobicContact CG2-CD2 4.45Å; I136-V148 CarbonylContact C-O 3.46Å; I136-V148 WeakPolarHBondContact CA-O 3.21Å; I136-A149 HydrophobicContact CG2-CB 4.23Å |
| 137 | S | 92.4 | Very high | 84.2 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 117.6 | 169.3 | -154.6 | 0 | 0 | 0 | 0 | 110.7 | L147 V148 K195 F196 | S137-L147 WeakPolarHBondContact O-CA 3.35Å; S137-L147 WeakPolarHBondContact O-CD1 3.42Å; S137-V148 PolarHBondContact N-O 3.11Å; S137-V148 PolarHBondContact O-N 3.19Å; S137-K195 WeakPolarHBondContact OG-CA 3.09Å; S137-F196 WeakPolarHBondContact O-CD2 3.06Å; S137-F196 WeakPolarHBondContact O-CE2 3.41Å; S137-F196 WeakPolarHBondContact OG-CD2 3.47Å; S137-F196 PolarHBondContact OG-N 2.94Å |
| 138 | I | 92.7 | Very high | 83.4 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 132.5 | 174.1 | -57.9 | 166 | 0 | 0 | 0 | 109.4 | F97 P98 P140 L147 | F97-I138 HydrophobicContact CD1-CD1 4Å; F97-I138 HydrophobicContact CD1-CG2 4.41Å; F97-I138 HydrophobicContact CD2-CD1 3.82Å; F97-I138 HydrophobicContact CE1-CD1 4.11Å; F97-I138 HydrophobicContact CE2-CD1 3.95Å; F97-I138 HydrophobicContact CG-CD1 3.86Å; F97-I138 HydrophobicContact CZ-CD1 4.09Å; P98-I138 HydrophobicContact CG-CB 4.46Å; P98-I138 HydrophobicContact CG-CG2 4.1Å; I138-P140 WeakPolarHBondContact O-CD 3.3Å; I138-L147 HydrophobicContact CG1-CD1 3.73Å |
| 139 | C | 93 | Very high | 82.7 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | trans | -64.2 | 122.4 | 178.9 | 177.5 | 0 | 0 | 0 | 0 | 111 | V141 S142 G143 N146 F196 | C139-V141 VanDerWaalsContact C-N 3.32Å; C139-V141 PolarHBondContact O-N 3.33Å; C139-S142 WeakPolarHBondContact CB-OG 3.43Å; C139-G143 WeakPolarHBondContact O-CA 3.4Å; C139-G143 PolarHBondContact O-N 3.41Å; C139-N146 HydrophobicContact CB-CB 4.31Å; C139-N146 PolarHBondContact N-O 3.47Å; C139-F196 HydrophobicContact CB-CD1 4.44Å; C139-F196 HydrophobicContact CB-CD2 4.27Å; C139-F196 HydrophobicContact CB-CE1 4.18Å; C139-F196 HydrophobicContact CB-CE2 4Å; C139-F196 HydrophobicContact CB-CG 4.48Å; C139-F196 HydrophobicContact CB-CZ 3.96Å | ||
| 140 | P | 89.4 | Confident | 81.7 | Confident | 24 Ų | 24 | 26.2 Ų | 26.2 | 16% | 0.156 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.1 | -173 | 25.8 | -33.3 | 0 | 0 | 0 | 114.3 | P98 N99 I138 F196 T197 S198 | P98-P140 HydrophobicContact CB-CB 4.07Å; P98-P140 HydrophobicContact CG-CB 4.27Å; N99-P140 PolarHBondContact ND2-O 2.78Å; I138-P140 WeakPolarHBondContact O-CD 3.3Å; P140-F196 HydrophobicContact CG-CB 4.42Å; P140-T197 WeakPolarHBondContact CG-O 3.01Å; P140-S198 WeakPolarHBondContact CG-O 3.33Å |
| 141 | V | 87.2 | Confident | 81.2 | Confident | 105 Ų | 105 | 24.3 Ų | 24.3 | 64% | 0.636 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -43.1 | -178.6 | 177.7 | 0 | 0 | 0 | 0 | 112 | C139 G143 D199 | C139-V141 VanDerWaalsContact C-N 3.32Å; C139-V141 PolarHBondContact O-N 3.33Å; V141-G143 VanDerWaalsContact C-N 3.3Å; V141-D199 VanDerWaalsContact CG2-C 3.46Å; V141-D199 WeakPolarHBondContact CG2-O 3.44Å |
| 142 | S | 82.6 | Confident | 80.9 | Confident | 33 Ų | 33 | 26.5 Ų | 26.5 | 23% | 0.231 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -24.3 | 174.6 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | C139 Q144 | C139-S142 WeakPolarHBondContact CB-OG 3.43Å; S142-Q144 PolarHBondContact O-N 3.06Å |
| 143 | G | 66.5 | Low | 81 | Confident | 10 Ų | 10 | 25 Ų | 25 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 66.9 | -19.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | F97 C139 V141 | F97-G143 WeakPolarHBondContact CD1-O 3.5Å; C139-G143 WeakPolarHBondContact O-CA 3.4Å; C139-G143 PolarHBondContact O-N 3.41Å; V141-G143 VanDerWaalsContact C-N 3.3Å |
| 144 | Q | 63.7 | Low | 81.1 | Confident | 96 Ų | 96 | 25 Ų | 25 | 45% | 0.449 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -153.5 | -6 | -173.3 | -60.2 | -173.1 | 8.6 | 0 | 0 | 113.9 | S142 L159 | S142-Q144 PolarHBondContact O-N 3.06Å; Q144-L159 WeakPolarHBondContact O-CB 3.42Å |
| 145 | E | 67.7 | Low | 81.5 | Confident | 62 Ų | 62 | 24 Ų | 24 | 29% | 0.29 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -104.1 | -35.5 | -168 | -59.3 | -179.6 | 160.8 | 0 | 0 | 113 | D158 L159 R160 | E145-D158 CarbonylContact O-C 3.49Å; E145-D158 WeakPolarHBondContact O-CA 3.48Å; E145-L159 PolarHBondContact O-N 3.34Å; E145-R160 VanDerWaalsContact CD-NH1 3.33Å; E145-R160 IonicContact OE1-CZ 3.06Å; E145-R160 IonicContact OE1-NH1 3.13Å; E145-R160 PolarHBondContact OE1-NH1 2.98Å; E145-R160 IonicContact OE1-NH2 2.59Å; E145-R160 PolarHBondContact OE1-NH2 2.81Å |
| 146 | N | 75.8 | Confident | 81.7 | Confident | 32 Ų | 32 | 23.6 Ų | 23.6 | 17% | 0.171 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.3 | -167.7 | -68.8 | -74.1 | 0 | 0 | 0 | 111 | C139 W157 F217 | C139-N146 HydrophobicContact CB-CB 4.31Å; C139-N146 PolarHBondContact N-O 3.47Å; N146-W157 WeakPolarHBondContact CA-O 3.49Å; N146-F217 HydrophobicContact CB-CE2 3.99Å; N146-F217 HydrophobicContact CB-CZ 3.65Å |
| 147 | L | 81.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.4 | 175.8 | 172.1 | 73.5 | 0 | 0 | 0 | 108.8 | M105 L113 I136 S137 I138 V156 W157 L159 | M105-L147 HydrophobicContact CE-CD2 4.19Å; M105-L147 HydrophobicContact SD-CD1 4.14Å; M105-L147 HydrophobicContact SD-CD2 3.51Å; M105-L147 VanDerWaalsContact SD-CD2 3.51Å; M105-L147 HydrophobicContact SD-CG 4.42Å; L113-L147 HydrophobicContact CD1-CD2 3.35Å; I136-L147 HydrophobicContact CB-CD1 3.79Å; I136-L147 HydrophobicContact CG2-CD1 4.26Å; I136-L147 HydrophobicContact CG2-CD2 4.45Å; S137-L147 WeakPolarHBondContact O-CA 3.35Å; S137-L147 WeakPolarHBondContact O-CD1 3.42Å; I138-L147 HydrophobicContact CG1-CD1 3.73Å; L147-V156 CarbonylContact O-C 3.56Å; L147-V156 WeakPolarHBondContact O-CA 3.29Å; L147-W157 HydrophobicContact CB-CB 4.33Å; L147-W157 PolarHBondContact N-O 2.59Å; L147-W157 PolarHBondContact O-N 3.13Å; L147-L159 HydrophobicContact CB-CD1 4.45Å; L147-L159 HydrophobicContact CB-CD2 3.97Å; L147-L159 HydrophobicContact CB-CG 4.22Å; L147-L159 HydrophobicContact CD2-CD2 4.17Å |
| 148 | V | 74.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.7 | 159.5 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | I136 S137 P154 V155 V156 F196 F203 M220 | I136-V148 CarbonylContact C-O 3.46Å; I136-V148 WeakPolarHBondContact CA-O 3.21Å; S137-V148 PolarHBondContact N-O 3.11Å; S137-V148 PolarHBondContact O-N 3.19Å; V148-P154 HydrophobicContact CG1-CB 3.8Å; V148-V155 CarbonylContact C-O 3.56Å; V148-V155 VanDerWaalsContact CA-O 3.31Å; V148-V155 WeakPolarHBondContact CA-O 3.16Å; V148-V156 HydrophobicContact CG2-CG1 4.38Å; V148-V156 HydrophobicContact CG2-CG2 4.16Å; V148-F196 HydrophobicContact CB-CE2 4.43Å; V148-F196 HydrophobicContact CG2-CE2 3.78Å; V148-F196 HydrophobicContact CG2-CZ 3.69Å; V148-F203 HydrophobicContact CB-CD1 4.03Å; V148-F203 HydrophobicContact CB-CD2 4.26Å; V148-F203 HydrophobicContact CB-CE1 3.64Å; V148-F203 HydrophobicContact CB-CE2 3.93Å; V148-F203 HydrophobicContact CB-CG 4.32Å; V148-F203 HydrophobicContact CB-CZ 3.6Å; V148-F203 HydrophobicContact CG1-CD1 3.79Å; V148-F203 HydrophobicContact CG1-CE1 3.17Å; V148-F203 HydrophobicContact CG1-CE2 4.34Å; V148-F203 HydrophobicContact CG1-CZ 3.51Å; V148-F203 HydrophobicContact CG2-CD1 3.99Å; V148-F203 HydrophobicContact CG2-CD2 4.31Å; V148-F203 HydrophobicContact CG2-CE1 4.13Å; V148-F203 HydrophobicContact CG2-CE2 4.48Å; V148-F203 HydrophobicContact CG2-CG 4.08Å; V148-F203 HydrophobicContact CG2-CZ 4.39Å; V148-M220 HydrophobicContact CG2-CE 3.45Å; V148-M220 VanDerWaalsContact CG2-CE 3.45Å |
| 149 | A | 74.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L113 A133 T135 I136 V155 | L113-A149 HydrophobicContact CD1-CB 4.44Å; A133-A149 HydrophobicContact CB-CB 4.16Å; T135-A149 CarbonylContact O-C 3.55Å; T135-A149 WeakPolarHBondContact O-CA 3.43Å; I136-A149 HydrophobicContact CG2-CB 4.23Å; A149-V155 PolarHBondContact N-O 3.34Å; A149-V155 PolarHBondContact O-N 2.96Å |
| 150 | G | 68.2 | Low | 81.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 103.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A133 F134 T135 | A133-G150 VanDerWaalsContact CA-O 3.29Å; A133-G150 WeakPolarHBondContact CA-O 3.25Å; F134-G150 PolarHBondContact N-O 2.8Å; T135-G150 PolarHBondContact O-N 3.05Å |
| 151 | I | 74.8 | Confident | 81 | Confident | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.108 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -92.7 | -154 | 165.6 | -51.6 | 179.1 | 0 | 0 | 0 | 106.3 | H153 V155 V191 | I151-H153 PolarHBondContact N-O 2.81Å; I151-H153 PolarHBondContact O-N 3.4Å; I151-V155 HydrophobicContact CB-CG2 4.42Å; I151-V155 HydrophobicContact CD1-CB 4.38Å; I151-V155 HydrophobicContact CD1-CG2 3.73Å; I151-V155 HydrophobicContact CG1-CG2 4.1Å; I151-V191 WeakPolarHBondContact O-CB 3.34Å; I151-V191 WeakPolarHBondContact O-CG2 3.18Å; I151-V191 PolarHBondContact O-N 3.25Å |
| 152 | S | 78.9 | Confident | 81 | Confident | 55 Ų | 55 | 39 Ų | 39 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -48.9 | -16.6 | 159.9 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 153 | H | 85.6 | Confident | 81.2 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 15% | 0.148 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -149.6 | 159.5 | 170.1 | 52.4 | -80 | 0 | 0 | 0 | 109.8 | I151 V155 L169 F170 | I151-H153 PolarHBondContact N-O 2.81Å; I151-H153 PolarHBondContact O-N 3.4Å; H153-V155 PolarHBondContact O-N 2.99Å; H153-L169 WeakPolarHBondContact CB-O 3.45Å; H153-F170 HydrophobicContact CB-CD1 4.47Å; H153-F170 HydrophobicContact CB-CE1 4.39Å; H153-F170 AromaticContact CD2-CE1 3.92Å; H153-F170 AromaticContact CD2-CZ 3.98Å; H153-F170 AromaticContact CG-CE1 3.88Å; H153-F170 AromaticContact NE2-CZ 3.97Å |
| 154 | P | 90.3 | Very high | 82.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.5 | 175.9 | -17.8 | 30.1 | 0 | 0 | 0 | 111.7 | V148 L169 V191 F203 V205 | V148-P154 HydrophobicContact CG1-CB 3.8Å; P154-L169 HydrophobicContact CB-CB 4.08Å; P154-L169 HydrophobicContact CB-CD1 4.06Å; P154-L169 HydrophobicContact CB-CG 4.28Å; P154-L169 WeakPolarHBondContact CD-O 3.36Å; P154-L169 HydrophobicContact CG-CB 4.35Å; P154-L169 WeakPolarHBondContact O-CB 3.36Å; P154-L169 PolarHBondContact O-N 3.23Å; P154-V191 HydrophobicContact CG-CG2 3.88Å; P154-F203 HydrophobicContact CB-CE1 4.04Å; P154-V205 HydrophobicContact CB-CG2 4.38Å; P154-V205 HydrophobicContact CG-CB 4.45Å; P154-V205 HydrophobicContact CG-CG1 3.98Å; P154-V205 HydrophobicContact CG-CG2 3.81Å |
| 155 | V | 92.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.2 | 179.6 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | V148 A149 I151 H153 W157 P165 Q168 | V148-V155 CarbonylContact C-O 3.56Å; V148-V155 VanDerWaalsContact CA-O 3.31Å; V148-V155 WeakPolarHBondContact CA-O 3.16Å; A149-V155 PolarHBondContact N-O 3.34Å; A149-V155 PolarHBondContact O-N 2.96Å; I151-V155 HydrophobicContact CB-CG2 4.42Å; I151-V155 HydrophobicContact CD1-CB 4.38Å; I151-V155 HydrophobicContact CD1-CG2 3.73Å; I151-V155 HydrophobicContact CG1-CG2 4.1Å; H153-V155 PolarHBondContact O-N 2.99Å; V155-W157 HydrophobicContact CG1-CZ2 4.35Å; V155-P165 HydrophobicContact CG1-CB 3.3Å; V155-P165 HydrophobicContact CG1-CG 4.18Å; V155-Q168 HydrophobicContact CG1-CG 4.16Å; V155-Q168 HydrophobicContact CG2-CG 4.17Å |
| 156 | V | 92 | Very high | 84.6 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.2 | -178.9 | -167.1 | 0 | 0 | 0 | 0 | 109.2 | L147 V148 P165 A166 K167 L169 M220 | L147-V156 CarbonylContact O-C 3.56Å; L147-V156 WeakPolarHBondContact O-CA 3.29Å; V148-V156 HydrophobicContact CG2-CG1 4.38Å; V148-V156 HydrophobicContact CG2-CG2 4.16Å; V156-P165 CarbonylContact O-C 3.57Å; V156-A166 PolarHBondContact O-N 3.26Å; V156-K167 HydrophobicContact CB-CB 4.06Å; V156-K167 HydrophobicContact CG2-CB 4.04Å; V156-K167 PolarHBondContact N-O 3.37Å; V156-K167 PolarHBondContact O-N 3.1Å; V156-L169 HydrophobicContact CG2-CD1 4.07Å; V156-L169 HydrophobicContact CG2-CD2 4.19Å; V156-L169 HydrophobicContact CG2-CG 4.07Å; V156-M220 HydrophobicContact CB-CE 4.29Å; V156-M220 HydrophobicContact CG1-CE 3.78Å; V156-M220 HydrophobicContact CG2-CE 3.5Å; V156-M220 VanDerWaalsContact CG2-CE 3.5Å; V156-M220 HydrophobicContact CG2-CG 4.08Å; V156-M220 HydrophobicContact CG2-SD 4.4Å |
| 157 | W | 92 | Very high | 85.4 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.2 | 179.7 | -68.5 | 89.8 | 0 | 0 | 0 | 110.4 | F127 I129 N146 L147 V155 P165 | F127-W157 HydrophobicContact CD2-CE3 4.42Å; F127-W157 HydrophobicContact CD2-CZ3 4.35Å; F127-W157 HydrophobicContact CE2-CD2 4.22Å; F127-W157 HydrophobicContact CE2-CE3 4.05Å; F127-W157 HydrophobicContact CE2-CZ3 4.4Å; I129-W157 HydrophobicContact CB-CZ2 3.94Å; I129-W157 HydrophobicContact CG2-CH2 4.24Å; I129-W157 HydrophobicContact CG2-CZ2 3.64Å; N146-W157 WeakPolarHBondContact CA-O 3.49Å; L147-W157 HydrophobicContact CB-CB 4.33Å; L147-W157 PolarHBondContact N-O 2.59Å; L147-W157 PolarHBondContact O-N 3.13Å; V155-W157 HydrophobicContact CG1-CZ2 4.35Å; W157-P165 HydrophobicContact CD2-CB 4.33Å; W157-P165 HydrophobicContact CH2-CB 4.38Å; W157-P165 HydrophobicContact CZ2-CB 4.12Å |
| 158 | D | 90.3 | Very high | 85.8 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.4 | 162.7 | -179.1 | -13.9 | 0 | 0 | 0 | 107.7 | E145 R160 R161 | E145-D158 CarbonylContact O-C 3.49Å; E145-D158 WeakPolarHBondContact O-CA 3.48Å; D158-R160 PolarHBondContact O-N 3.21Å; D158-R160 VanDerWaalsContact O-N 3.13Å; D158-R160 VanDerWaalsContact OD1-CB 3.29Å; D158-R160 WeakPolarHBondContact OD1-CB 3.39Å; D158-R160 PolarHBondContact OD1-N 2.82Å; D158-R161 HydrophobicContact CB-CB 4.35Å; D158-R161 CarbonylContact O-C 3.17Å; D158-R161 WeakPolarHBondContact O-CA 3.18Å; D158-R161 PolarHBondContact O-N 3.28Å |
| 159 | L | 89.1 | Confident | 86.6 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.12 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -10.8 | -176.4 | -62.5 | -179 | 0 | 0 | 0 | 113.2 | F97 M105 F127 Q144 E145 L147 | F97-L159 HydrophobicContact CE1-CD1 4.01Å; F97-L159 HydrophobicContact CZ-CD1 4.17Å; M105-L159 HydrophobicContact CE-CD1 3.92Å; M105-L159 HydrophobicContact CE-CD2 3.72Å; F127-L159 HydrophobicContact CE1-CD2 4.42Å; F127-L159 HydrophobicContact CZ-CD2 3.94Å; Q144-L159 WeakPolarHBondContact O-CB 3.42Å; E145-L159 PolarHBondContact O-N 3.34Å; L147-L159 HydrophobicContact CB-CD1 4.45Å; L147-L159 HydrophobicContact CB-CD2 3.97Å; L147-L159 HydrophobicContact CB-CG 4.22Å; L147-L159 HydrophobicContact CD2-CD2 4.17Å |
| 160 | R | 86.7 | Confident | 87.3 | Confident | 169 Ų | 169 | 66.1 Ų | 66.1 | 64% | 0.638 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.5 | 169.8 | -59.3 | 177.5 | 170.3 | 151.2 | 3.2 | 112.7 | E145 D158 | E145-R160 VanDerWaalsContact CD-NH1 3.33Å; E145-R160 IonicContact OE1-CZ 3.06Å; E145-R160 IonicContact OE1-NH1 3.13Å; E145-R160 PolarHBondContact OE1-NH1 2.98Å; E145-R160 IonicContact OE1-NH2 2.59Å; E145-R160 PolarHBondContact OE1-NH2 2.81Å; D158-R160 PolarHBondContact O-N 3.21Å; D158-R160 VanDerWaalsContact O-N 3.13Å; D158-R160 VanDerWaalsContact OD1-CB 3.29Å; D158-R160 WeakPolarHBondContact OD1-CB 3.39Å; D158-R160 PolarHBondContact OD1-N 2.82Å |
| 161 | R | 87.6 | Confident | 88.2 | Confident | 189 Ų | 189 | 68 Ų | 68 | 71% | 0.713 | 32% | 0.318 | S | S | * | . | trans | -137.2 | 71.1 | -173.6 | -64 | -177.5 | 177.3 | -172.7 | -0.1 | 109.8 | D158 E163 | D158-R161 HydrophobicContact CB-CB 4.35Å; D158-R161 CarbonylContact O-C 3.17Å; D158-R161 WeakPolarHBondContact O-CA 3.18Å; D158-R161 PolarHBondContact O-N 3.28Å; R161-E163 PolarHBondContact O-N 2.9Å | ||
| 162 | T | 86.2 | Confident | 88.4 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 5.6 | -172.3 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | F127 | F127-T162 HydrophobicContact CD1-CG2 3.67Å; F127-T162 HydrophobicContact CD2-CG2 4.22Å; F127-T162 HydrophobicContact CE1-CG2 3.7Å; F127-T162 HydrophobicContact CE2-CG2 4.22Å; F127-T162 HydrophobicContact CG-CG2 3.95Å; F127-T162 HydrophobicContact CZ-CG2 3.97Å |
| 163 | E | 86.6 | Confident | 88.2 | Confident | 189 Ų | 189 | 81.7 Ų | 81.7 | 88% | 0.883 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -29.5 | -178.9 | -65.1 | 176.5 | 179.4 | 0 | 0 | 112.9 | R161 | R161-E163 PolarHBondContact O-N 2.9Š|
| 164 | R | 89.4 | Confident | 87.2 | Confident | 197 Ų | 197 | 82.8 Ų | 82.8 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -153.7 | 153.6 | -179 | 64.5 | -179.5 | -179.2 | 177.9 | -1.1 | 111.3 | ||
| 165 | P | 90.6 | Very high | 85.9 | Confident | 44 Ų | 44 | 92.7 Ų | 92.7 | 29% | 0.286 | 42% | 0.419 | S | S | . | . | trans | -63.7 | 143.4 | 175 | 27.9 | -35.8 | 0 | 0 | 0 | 111.1 | V155 V156 W157 | V155-P165 HydrophobicContact CG1-CB 3.3Å; V155-P165 HydrophobicContact CG1-CG 4.18Å; V156-P165 CarbonylContact O-C 3.57Å; W157-P165 HydrophobicContact CD2-CB 4.33Å; W157-P165 HydrophobicContact CH2-CB 4.38Å; W157-P165 HydrophobicContact CZ2-CB 4.12Å | ||
| 166 | A | 90.6 | Very high | 84.2 | Confident | 67 Ų | 67 | 100.7 Ų | 100.7 | 55% | 0.554 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -72.8 | -35.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V156 | V156-A166 PolarHBondContact O-N 3.26Š|
| 167 | K | 91.4 | Very high | 82.3 | Confident | 88 Ų | 88 | 106 Ų | 106 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 145.2 | 179.5 | -166.4 | 168.1 | 171.6 | 170.2 | 0 | 111.8 | V156 L169 T219 M220 | V156-K167 HydrophobicContact CB-CB 4.06Å; V156-K167 HydrophobicContact CG2-CB 4.04Å; V156-K167 PolarHBondContact N-O 3.37Å; V156-K167 PolarHBondContact O-N 3.1Å; K167-L169 HydrophobicContact CD-CD2 3.87Å; K167-L169 HydrophobicContact CG-CD2 3.82Å; K167-T219 PolarHBondContact NZ-O 3.46Å; K167-M220 HydrophobicContact CD-CB 3.86Å; K167-M220 HydrophobicContact CD-CG 4.38Å; K167-M220 PolarHBondContact NZ-O 2.7Å |
| 168 | Q | 90.8 | Very high | 80.5 | Confident | 95 Ų | 95 | 109.5 Ų | 109.5 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137 | 167.4 | -71.6 | 176.7 | -20.2 | 0 | 0 | 109.2 | V155 F170 | V155-Q168 HydrophobicContact CG1-CG 4.16Å; V155-Q168 HydrophobicContact CG2-CG 4.17Å; Q168-F170 HydrophobicContact CB-CE2 3.73Å; Q168-F170 HydrophobicContact CB-CZ 3.95Å |
| 169 | L | 91.4 | Very high | 78.7 | Confident | 2 Ų | 2 | 117.3 Ų | 117.3 | 1% | 0.01 | 54% | 0.542 | C | S | . | . | trans | -109.1 | 127.1 | -174.2 | -51.2 | -172.9 | 0 | 0 | 0 | 110.2 | H153 P154 V156 K167 W215 M220 | H153-L169 WeakPolarHBondContact CB-O 3.45Å; P154-L169 HydrophobicContact CB-CB 4.08Å; P154-L169 HydrophobicContact CB-CD1 4.06Å; P154-L169 HydrophobicContact CB-CG 4.28Å; P154-L169 WeakPolarHBondContact CD-O 3.36Å; P154-L169 HydrophobicContact CG-CB 4.35Å; P154-L169 WeakPolarHBondContact O-CB 3.36Å; P154-L169 PolarHBondContact O-N 3.23Å; V156-L169 HydrophobicContact CG2-CD1 4.07Å; V156-L169 HydrophobicContact CG2-CD2 4.19Å; V156-L169 HydrophobicContact CG2-CG 4.07Å; K167-L169 HydrophobicContact CD-CD2 3.87Å; K167-L169 HydrophobicContact CG-CD2 3.82Å; L169-W215 HydrophobicContact CB-CD2 4.39Å; L169-W215 HydrophobicContact CB-CE3 4.47Å; L169-W215 HydrophobicContact CB-CH2 3.82Å; L169-W215 HydrophobicContact CB-CZ2 3.71Å; L169-W215 HydrophobicContact CB-CZ3 4.2Å; L169-W215 HydrophobicContact CD1-CB 4.48Å; L169-W215 HydrophobicContact CD1-CD2 3.75Å; L169-W215 HydrophobicContact CD1-CE3 4.11Å; L169-W215 HydrophobicContact CD1-CG 3.9Å; L169-W215 HydrophobicContact CD2-CE3 4.35Å; L169-W215 HydrophobicContact CD2-CZ3 4.33Å; L169-M220 HydrophobicContact CD1-CB 4.27Å; L169-M220 HydrophobicContact CD1-CG 4.39Å; L169-M220 HydrophobicContact CD1-SD 4.06Å; L169-M220 HydrophobicContact CD2-CB 3.57Å; L169-M220 HydrophobicContact CD2-CG 4.2Å | ||
| 170 | F | 88.6 | Confident | 76.9 | Confident | 122 Ų | 122 | 122.3 Ų | 122.3 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | trans | -120.9 | 132.4 | 179.9 | -60.7 | -81.2 | 0 | 0 | 0 | 110.3 | H153 Q168 W215 | H153-F170 HydrophobicContact CB-CD1 4.47Å; H153-F170 HydrophobicContact CB-CE1 4.39Å; H153-F170 AromaticContact CD2-CE1 3.92Å; H153-F170 AromaticContact CD2-CZ 3.98Å; H153-F170 AromaticContact CG-CE1 3.88Å; H153-F170 AromaticContact NE2-CZ 3.97Å; Q168-F170 HydrophobicContact CB-CE2 3.73Å; Q168-F170 HydrophobicContact CB-CZ 3.95Å; F170-W215 WeakPolarHBondContact O-CH2 3.42Å | ||
| 171 | L | 86.2 | Confident | 75.2 | Confident | 39 Ų | 39 | 118.1 Ų | 118.1 | 20% | 0.204 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -57.9 | 144.2 | 171.9 | -67.7 | -178.1 | 0 | 0 | 0 | 110.4 | E189 Y207 A213 W215 Q225 | L171-E189 VanDerWaalsContact CD1-OE2 3.23Å; L171-E189 WeakPolarHBondContact CD1-OE2 3.47Å; L171-Y207 HydrophobicContact CD1-CD1 4.5Å; L171-Y207 HydrophobicContact CD1-CD2 4.18Å; L171-Y207 HydrophobicContact CD1-CE1 4.12Å; L171-Y207 HydrophobicContact CD1-CE2 3.78Å; L171-Y207 HydrophobicContact CD2-CE2 3.83Å; L171-Y207 WeakPolarHBondContact CD2-OH 3.32Å; L171-Y207 HydrophobicContact CG-CE1 4.35Å; L171-Y207 HydrophobicContact CG-CE2 4.1Å; L171-A213 HydrophobicContact CD2-CB 3.64Å; L171-W215 HydrophobicContact CD2-CZ2 4.46Å; L171-Q225 HydrophobicContact CD2-CG 4.3Å |
| 172 | Q | 80.5 | Confident | 73.4 | Confident | 131 Ų | 131 | 117.3 Ų | 117.3 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 135 | 172.2 | -68 | -176.2 | -6 | 0 | 0 | 108.4 | L222 Q225 | Q172-L222 HydrophobicContact CB-CD2 4.18Å; Q172-L222 HydrophobicContact CG-CD2 3.95Å; Q172-Q225 PolarHBondContact O-NE2 3.48Å; Q172-Q225 VanDerWaalsContact O-NE2 3.1Å; Q172-Q225 PolarHBondContact O-OE1 2.81Å |
| 173 | R | 73.7 | Confident | 71.8 | Confident | 233 Ų | 233 | 119.5 Ų | 119.5 | 88% | 0.879 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 131 | 167.1 | -70 | -173.8 | -179.4 | 178.3 | 0.5 | 108 | K175 | R173-K175 PolarHBondContact O-N 2.69Š|
| 174 | P | 64.2 | Low | 70 | Confident | 55 Ų | 55 | 118.3 Ų | 118.3 | 36% | 0.357 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 126 | 176.3 | 23 | -30.3 | 0 | 0 | 0 | 109 | K176 L178 W181 | P174-K176 PolarHBondContact O-N 3.49Å; P174-L178 HydrophobicContact CB-CD1 4.25Å; P174-W181 HydrophobicContact CG-CH2 4.33Å |
| 175 | K | 63.3 | Low | 67.9 | Low | 209 Ų | 209 | 115.5 Ų | 115.5 | 91% | 0.909 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -67.4 | -17.4 | -177.5 | -71.9 | -172.7 | 178.3 | -177.1 | 0 | 113.4 | R173 | R173-K175 PolarHBondContact O-N 2.69Š|
| 176 | K | 57.3 | Low | 66.1 | Low | 170 Ų | 170 | 117.3 Ų | 117.3 | 74% | 0.739 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -126 | 136.9 | 170.7 | -68.8 | -174.6 | 176.1 | -173.3 | 0 | 107.4 | P174 L178 | P174-K176 PolarHBondContact O-N 3.49Å; K176-L178 PolarHBondContact O-N 3.25Å |
| 177 | P | 52.1 | Low | 64.5 | Low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 59% | 0.591 | S | S | * | * | trans | -54.1 | 116.8 | 160.2 | 24.5 | -29.6 | 0 | 0 | 0 | 105.9 | E179 | P177-E179 PolarHBondContact O-N 3.43Š| ||
| 178 | L | 53.7 | Low | 63.2 | Low | 82 Ų | 82 | 123.3 Ų | 123.3 | 43% | 0.429 | 61% | 0.605 | S | S | . | * | trans | -64 | 129.5 | 169.5 | -96.9 | 111.2 | 0 | 0 | 0 | 105 | P174 K176 D180 W181 | P174-L178 HydrophobicContact CB-CD1 4.25Å; K176-L178 PolarHBondContact O-N 3.25Å; L178-D180 PolarHBondContact O-N 2.84Å; L178-W181 HydrophobicContact CB-CG 4.1Å; L178-W181 HydrophobicContact CD1-CZ2 4.18Å; L178-W181 VanDerWaalsContact O-CD1 3.23Å; L178-W181 PolarHBondContact O-N 3.36Å; L178-W181 VanDerWaalsContact O-N 3.09Å | ||
| 179 | E | 52.5 | Low | 62.5 | Low | 202 Ų | 202 | 120.8 Ų | 120.8 | 94% | 0.944 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 0.9 | -172.1 | -70.4 | 172 | 161 | 0 | 0 | 114.8 | P177 | P177-E179 PolarHBondContact O-N 3.43Š|
| 180 | D | 50.9 | Low | 62.1 | Low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 17.5 | 178.2 | -73.6 | -32.6 | 0 | 0 | 0 | 113.6 | L178 D182 | L178-D180 PolarHBondContact O-N 2.84Å; D180-D182 PolarHBondContact O-N 3Å |
| 181 | W | 51.2 | Low | 62.1 | Low | 81 Ų | 81 | 119.5 Ų | 119.5 | 31% | 0.307 | 58% | 0.584 | S | S | . | * | trans | -95.4 | 78.7 | -176.5 | -74.5 | 50 | 0 | 0 | 0 | 111.7 | P174 L178 E183 R211 | P174-W181 HydrophobicContact CG-CH2 4.33Å; L178-W181 HydrophobicContact CB-CG 4.1Å; L178-W181 HydrophobicContact CD1-CZ2 4.18Å; L178-W181 VanDerWaalsContact O-CD1 3.23Å; L178-W181 PolarHBondContact O-N 3.36Å; L178-W181 VanDerWaalsContact O-N 3.09Å; W181-E183 VanDerWaalsContact C-N 3.28Å; W181-R211 VanDerWaalsContact CH2-NH2 3.3Å | ||
| 182 | D | 50.4 | Low | 62 | Low | 172 Ų | 172 | 118.6 Ų | 118.6 | 92% | 0.92 | 58% | 0.58 | S | S | * | * | trans | -89.9 | 17.3 | 169 | -79.2 | -24.9 | 0 | 0 | 0 | 113 | D180 | D180-D182 PolarHBondContact O-N 3Š| ||
| 183 | E | 51.4 | Low | 62.4 | Low | 86 Ų | 86 | 112.4 Ų | 112.4 | 40% | 0.402 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -100.4 | 125.1 | 175 | -70.7 | -175.5 | 164.9 | 0 | 0 | 109.3 | W181 L186 R210 | W181-E183 VanDerWaalsContact C-N 3.28Å; E183-L186 HydrophobicContact CB-CD1 3.84Å; E183-L186 HydrophobicContact CG-CD1 4.45Å; E183-L186 WeakPolarHBondContact OE2-CD1 3Å; E183-R210 IonicContact OE1-NH2 3.13Å |
| 184 | E | 48.7 | Very low | 63.2 | Low | 164 Ų | 164 | 101.6 Ų | 101.6 | 77% | 0.766 | 51% | 0.512 | S | S | * | . | trans | -39.2 | 158.9 | 171.2 | -78.5 | -173.7 | 153.6 | 0 | 0 | 112 | L186 | E184-L186 WeakPolarHBondContact O-CG 3.33Å; E184-L186 PolarHBondContact O-N 2.81Å | ||
| 185 | P | 46.4 | Very low | 64.5 | Low | 137 Ų | 137 | 101.1 Ų | 101.1 | 89% | 0.89 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -59.2 | 87.9 | 171.5 | 26.1 | -33 | 0 | 0 | 0 | 109.2 | Q187 | P185-Q187 PolarHBondContact O-N 2.87Š|
| 186 | L | 53.8 | Low | 65.9 | Low | 82 Ų | 82 | 91.5 Ų | 91.5 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | trans | -67.6 | 137.6 | -168.8 | -86.3 | 160.9 | 0 | 0 | 0 | 108.4 | E183 E184 | E183-L186 HydrophobicContact CB-CD1 3.84Å; E183-L186 HydrophobicContact CG-CD1 4.45Å; E183-L186 WeakPolarHBondContact OE2-CD1 3Å; E184-L186 WeakPolarHBondContact O-CG 3.33Å; E184-L186 PolarHBondContact O-N 2.81Å | ||
| 187 | Q | 56.8 | Low | 67.6 | Low | 170 Ų | 170 | 83.5 Ų | 83.5 | 79% | 0.794 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -31.8 | 154.3 | 172.1 | -67.9 | 164.1 | -21.7 | 0 | 0 | 113.8 | P185 E189 | P185-Q187 PolarHBondContact O-N 2.87Å; Q187-E189 PolarHBondContact O-N 2.87Å |
| 188 | V | 63 | Low | 69.3 | Low | 112 Ų | 112 | 81 Ų | 81 | 68% | 0.679 | 41% | 0.413 | S | S | * | . | trans | -28.6 | 103.5 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | R190 | V188-R190 PolarHBondContact O-N 2.84Š| ||
| 189 | E | 77.4 | Confident | 71 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | trans | -65.7 | 125.4 | -178.9 | -67.8 | 177.5 | -154.1 | 0 | 0 | 108.6 | L171 Q187 Y207 S209 R211 | L171-E189 VanDerWaalsContact CD1-OE2 3.23Å; L171-E189 WeakPolarHBondContact CD1-OE2 3.47Å; Q187-E189 PolarHBondContact O-N 2.87Å; E189-Y207 HydrophobicContact CB-CD1 4.25Å; E189-S209 PolarHBondContact OE2-OG 3.33Å; E189-R211 VanDerWaalsContact CD-NH1 3.26Å; E189-R211 IonicContact OE1-CZ 2.75Å; E189-R211 IonicContact OE1-NE 3.6Å; E189-R211 IonicContact OE1-NH1 3.95Å; E189-R211 PolarHBondContact OE1-NH1 3.34Å; E189-R211 IonicContact OE1-NH2 3.85Å; E189-R211 PolarHBondContact OE1-NH2 3.33Å; E189-R211 IonicContact OE2-CZ 3.63Å; E189-R211 IonicContact OE2-NH1 2.94Å; E189-R211 PolarHBondContact OE2-NH1 2.67Å; E189-R211 VanDerWaalsContact OE2-NH1 3.13Å | ||
| 190 | R | 82.2 | Confident | 72.8 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 37% | 0.366 | 37% | 0.366 | S | S | . | . | trans | -104.2 | 139.6 | 179.4 | -68.6 | -175.2 | -88.2 | -173.1 | -6.8 | 110.6 | V188 I192 Y207 D208 E238 | V188-R190 PolarHBondContact O-N 2.84Å; R190-I192 PolarHBondContact O-N 2.82Å; R190-Y207 CarbonylContact O-C 3.58Å; R190-Y207 VanDerWaalsContact O-CA 3.23Å; R190-Y207 WeakPolarHBondContact O-CA 3.43Å; R190-D208 PolarHBondContact N-OD1 2.92Å; R190-D208 PolarHBondContact N-OD2 3.08Å; R190-D208 IonicContact NE-OD2 2.73Å; R190-D208 PolarHBondContact O-N 2.96Å; R190-E238 IonicContact CZ-OE1 3.46Å; R190-E238 IonicContact NH1-OE1 3.36Å; R190-E238 PolarHBondContact NH1-OE1 3.49Å; R190-E238 IonicContact NH2-OE1 2.67Å | ||
| 191 | V | 87.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | T135 I151 P154 V205 Y207 | T135-V191 HydrophobicContact CG2-CG1 3.6Å; I151-V191 WeakPolarHBondContact O-CB 3.34Å; I151-V191 WeakPolarHBondContact O-CG2 3.18Å; I151-V191 PolarHBondContact O-N 3.25Å; P154-V191 HydrophobicContact CG-CG2 3.88Å; V191-V205 HydrophobicContact CB-CG1 4.33Å; V191-V205 HydrophobicContact CG1-CG1 3.61Å; V191-V205 HydrophobicContact CG2-CG1 3.9Å; V191-Y207 HydrophobicContact CG2-CD1 4.04Å; V191-Y207 HydrophobicContact CG2-CE1 3.68Å |
| 192 | I | 85.3 | Confident | 76.7 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -19.5 | -179.3 | 57.7 | 169.4 | 0 | 0 | 0 | 112.6 | R190 M206 D208 M235 V241 | R190-I192 PolarHBondContact O-N 2.82Å; I192-M206 HydrophobicContact CD1-CE 3.71Å; I192-M206 HydrophobicContact CD1-CG 4.12Å; I192-M206 HydrophobicContact CG1-CB 4.34Å; I192-M206 HydrophobicContact CG1-CE 4.09Å; I192-M206 HydrophobicContact CG1-CG 4.21Å; I192-M206 WeakPolarHBondContact CG1-O 2.91Å; I192-M206 PolarHBondContact N-O 3.27Å; I192-D208 HydrophobicContact CG2-CB 3.8Å; I192-M235 HydrophobicContact CD1-CE 3.52Å; I192-V241 HydrophobicContact CB-CG2 3.98Å; I192-V241 HydrophobicContact CD1-CG2 3.87Å; I192-V241 HydrophobicContact CG1-CG2 3.86Å; I192-V241 WeakPolarHBondContact O-CG2 3.41Å; I192-V241 PolarHBondContact O-N 2.8Å |
| 193 | G | 87.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 147.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V205 M206 V241 | G193-V205 WeakPolarHBondContact O-CA 3.48Å; G193-M206 PolarHBondContact N-O 2.65Å; G193-M206 PolarHBondContact O-N 2.8Å; G193-V241 WeakPolarHBondContact CA-O 3.5Å |
| 194 | G | 90.8 | Very high | 80.8 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 139.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T135 I204 | T135-G194 PolarHBondContact OG1-N 2.91Å; T135-G194 PolarHBondContact OG1-O 2.75Å; G194-I204 CarbonylContact C-O 3.55Å; G194-I204 WeakPolarHBondContact CA-O 3.07Å |
| 195 | K | 91.9 | Very high | 82.8 | Confident | 45 Ų | 45 | 52 Ų | 52 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 133.9 | -180 | -169.4 | 161.1 | -173.5 | 166.4 | 0 | 113 | S137 I204 I243 E244 I245 | S137-K195 WeakPolarHBondContact OG-CA 3.09Å; K195-I204 PolarHBondContact N-O 2.7Å; K195-I204 PolarHBondContact O-N 3.24Å; K195-I243 HydrophobicContact CB-CD1 4.18Å; K195-I243 HydrophobicContact CB-CG1 3.99Å; K195-I243 WeakPolarHBondContact CD-O 3.43Å; K195-E244 IonicContact NZ-OE1 2.67Å; K195-E244 PolarHBondContact NZ-OE1 3.11Å; K195-E244 IonicContact NZ-OE2 2.7Å; K195-E244 PolarHBondContact NZ-OE2 3.04Å; K195-I245 HydrophobicContact CB-CD1 4.01Å; K195-I245 HydrophobicContact CD-CD1 4.4Å; K195-I245 HydrophobicContact CD-CG1 4.42Å; K195-I245 HydrophobicContact CG-CD1 3.98Å; K195-I245 HydrophobicContact CG-CG1 4.49Å |
| 196 | F | 92.5 | Very high | 84.9 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 143.7 | 165.5 | -85.1 | -77.7 | 0 | 0 | 0 | 111.5 | S137 C139 P140 V148 R202 F203 F217 M220 | S137-F196 WeakPolarHBondContact O-CD2 3.06Å; S137-F196 WeakPolarHBondContact O-CE2 3.41Å; S137-F196 WeakPolarHBondContact OG-CD2 3.47Å; S137-F196 PolarHBondContact OG-N 2.94Å; C139-F196 HydrophobicContact CB-CD1 4.44Å; C139-F196 HydrophobicContact CB-CD2 4.27Å; C139-F196 HydrophobicContact CB-CE1 4.18Å; C139-F196 HydrophobicContact CB-CE2 4Å; C139-F196 HydrophobicContact CB-CG 4.48Å; C139-F196 HydrophobicContact CB-CZ 3.96Å; P140-F196 HydrophobicContact CG-CB 4.42Å; V148-F196 HydrophobicContact CB-CE2 4.43Å; V148-F196 HydrophobicContact CG2-CE2 3.78Å; V148-F196 HydrophobicContact CG2-CZ 3.69Å; F196-R202 CarbonylContact C-O 3.47Å; F196-R202 WeakPolarHBondContact CA-O 3.13Å; F196-R202 WeakPolarHBondContact CD1-O 3.41Å; F196-F203 HydrophobicContact CD1-CB 4.02Å; F196-F203 HydrophobicContact CD1-CD2 4.43Å; F196-F203 AromaticContact CD2-CD2 3.97Å; F196-F203 HydrophobicContact CD2-CD2 3.97Å; F196-F203 HydrophobicContact CE1-CB 3.82Å; F196-F203 HydrophobicContact CE1-CG 4.5Å; F196-F203 HydrophobicContact CE2-CD2 4.08Å; F196-F203 HydrophobicContact CG-CD2 4.15Å; F196-F203 HydrophobicContact CZ-CB 4.19Å; F196-F203 HydrophobicContact CZ-CD2 4.37Å; F196-F203 HydrophobicContact CZ-CG 4.45Å; F196-F217 HydrophobicContact CE1-CB 4.06Å; F196-F217 HydrophobicContact CE1-CD1 4.5Å; F196-F217 AromaticContact CE1-CD2 3.68Å; F196-F217 HydrophobicContact CE1-CD2 3.68Å; F196-F217 HydrophobicContact CE1-CE2 4.29Å; F196-F217 AromaticContact CE1-CG 3.81Å; F196-F217 HydrophobicContact CE1-CG 3.81Å; F196-F217 AromaticContact CZ-CD2 3.92Å; F196-F217 HydrophobicContact CZ-CD2 3.92Å; F196-F217 HydrophobicContact CZ-CE2 4.15Å; F196-F217 HydrophobicContact CZ-CG 4.47Å; F196-M220 HydrophobicContact CZ-CE 4.26Å |
| 197 | T | 92.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | trans | -64.9 | 151 | 162.7 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | P140 D199 G200 R201 R202 I204 I245 E247 F251 | P140-T197 WeakPolarHBondContact CG-O 3.01Å; T197-D199 VanDerWaalsContact CB-OD1 3.29Å; T197-D199 WeakPolarHBondContact CB-OD1 2.97Å; T197-D199 PolarHBondContact O-N 3.25Å; T197-D199 PolarHBondContact OG1-OD1 2.9Å; T197-G200 WeakPolarHBondContact O-CA 3.38Å; T197-G200 PolarHBondContact O-N 3.05Å; T197-R201 PolarHBondContact OG1-N 2.91Å; T197-R202 HydrophobicContact CG2-CB 3.89Å; T197-R202 PolarHBondContact N-O 3.46Å; T197-R202 PolarHBondContact OG1-N 3.21Å; T197-R202 PolarHBondContact OG1-O 2.56Å; T197-I204 HydrophobicContact CG2-CD1 4.32Å; T197-I245 HydrophobicContact CG2-CD1 4.32Å; T197-E247 WeakPolarHBondContact CB-OE2 3.43Å; T197-F251 HydrophobicContact CG2-CD2 3.9Å; T197-F251 HydrophobicContact CG2-CE2 3.89Å | ||
| 198 | S | 87.8 | Confident | 87.7 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 46% | 0.462 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23 | -176.7 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | P140 G200 E247 | P140-S198 WeakPolarHBondContact CG-O 3.33Å; S198-G200 PolarHBondContact O-N 2.82Å; S198-E247 VanDerWaalsContact CB-OE1 3.3Å; S198-E247 WeakPolarHBondContact CB-OE1 3.4Å; S198-E247 PolarHBondContact N-OE1 2.6Å; S198-E247 PolarHBondContact N-OE2 2.94Å; S198-E247 PolarHBondContact OG-OE1 2.9Å; S198-E247 PolarHBondContact OG-OE2 3.25Å; S198-E247 VanDerWaalsContact OG-OE2 3.05Å |
| 199 | D | 90.1 | Very high | 88.5 | Confident | 62 Ų | 62 | 31.2 Ų | 31.2 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.8 | 169.4 | 74 | -5.1 | 0 | 0 | 0 | 113.9 | V141 T197 R201 | V141-D199 VanDerWaalsContact CG2-C 3.46Å; V141-D199 WeakPolarHBondContact CG2-O 3.44Å; T197-D199 VanDerWaalsContact CB-OD1 3.29Å; T197-D199 WeakPolarHBondContact CB-OD1 2.97Å; T197-D199 PolarHBondContact O-N 3.25Å; T197-D199 PolarHBondContact OG1-OD1 2.9Å; D199-R201 HydrophobicContact CB-CG 4.26Å; D199-R201 WeakPolarHBondContact O-CG 3.02Å; D199-R201 PolarHBondContact O-N 2.67Å; D199-R201 VanDerWaalsContact O-N 3.11Å; D199-R201 WeakPolarHBondContact OD1-CB 3.42Å; D199-R201 PolarHBondContact OD1-N 2.8Å; D199-R201 VanDerWaalsContact OD2-CD 3.29Å; D199-R201 WeakPolarHBondContact OD2-CD 3.44Å; D199-R201 WeakPolarHBondContact OD2-CG 3.43Å |
| 200 | G | 90.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 64.1 | 9.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | T197 S198 F217 | T197-G200 WeakPolarHBondContact O-CA 3.38Å; T197-G200 PolarHBondContact O-N 3.05Å; S198-G200 PolarHBondContact O-N 2.82Å; G200-F217 WeakPolarHBondContact O-CB 3.43Å; G200-F217 VanDerWaalsContact O-CD1 3.23Å; G200-F217 WeakPolarHBondContact O-CD1 3.43Å |
| 201 | R | 91.7 | Very high | 88.8 | Confident | 167 Ų | 167 | 28.7 Ų | 28.7 | 63% | 0.63 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -88.6 | -16.4 | -174.1 | -63.2 | -173.1 | 177.9 | 177.7 | -4.7 | 113.7 | T197 D199 F217 | T197-R201 PolarHBondContact OG1-N 2.91Å; D199-R201 HydrophobicContact CB-CG 4.26Å; D199-R201 WeakPolarHBondContact O-CG 3.02Å; D199-R201 PolarHBondContact O-N 2.67Å; D199-R201 VanDerWaalsContact O-N 3.11Å; D199-R201 WeakPolarHBondContact OD1-CB 3.42Å; D199-R201 PolarHBondContact OD1-N 2.8Å; D199-R201 VanDerWaalsContact OD2-CD 3.29Å; D199-R201 WeakPolarHBondContact OD2-CD 3.44Å; D199-R201 WeakPolarHBondContact OD2-CG 3.43Å; R201-F217 PolarHBondContact O-N 3.48Å |
| 202 | R | 92.7 | Very high | 88.9 | Confident | 73 Ų | 73 | 28.8 Ų | 28.8 | 28% | 0.275 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.9 | 179.5 | -65 | 176.7 | -174.3 | 76.9 | -1.2 | 111.4 | F196 T197 W215 | F196-R202 CarbonylContact C-O 3.47Å; F196-R202 WeakPolarHBondContact CA-O 3.13Å; F196-R202 WeakPolarHBondContact CD1-O 3.41Å; T197-R202 HydrophobicContact CG2-CB 3.89Å; T197-R202 PolarHBondContact N-O 3.46Å; T197-R202 PolarHBondContact OG1-N 3.21Å; T197-R202 PolarHBondContact OG1-O 2.56Å; R202-W215 CarbonylContact C-O 3.6Å; R202-W215 WeakPolarHBondContact CA-O 3.2Å |
| 203 | F | 93.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.5 | 168.6 | 178.2 | -117.2 | 0 | 0 | 0 | 109 | V148 P154 F196 V205 A214 W215 | V148-F203 HydrophobicContact CB-CD1 4.03Å; V148-F203 HydrophobicContact CB-CD2 4.26Å; V148-F203 HydrophobicContact CB-CE1 3.64Å; V148-F203 HydrophobicContact CB-CE2 3.93Å; V148-F203 HydrophobicContact CB-CG 4.32Å; V148-F203 HydrophobicContact CB-CZ 3.6Å; V148-F203 HydrophobicContact CG1-CD1 3.79Å; V148-F203 HydrophobicContact CG1-CE1 3.17Å; V148-F203 HydrophobicContact CG1-CE2 4.34Å; V148-F203 HydrophobicContact CG1-CZ 3.51Å; V148-F203 HydrophobicContact CG2-CD1 3.99Å; V148-F203 HydrophobicContact CG2-CD2 4.31Å; V148-F203 HydrophobicContact CG2-CE1 4.13Å; V148-F203 HydrophobicContact CG2-CE2 4.48Å; V148-F203 HydrophobicContact CG2-CG 4.08Å; V148-F203 HydrophobicContact CG2-CZ 4.39Å; P154-F203 HydrophobicContact CB-CE1 4.04Å; F196-F203 HydrophobicContact CD1-CB 4.02Å; F196-F203 HydrophobicContact CD1-CD2 4.43Å; F196-F203 AromaticContact CD2-CD2 3.97Å; F196-F203 HydrophobicContact CD2-CD2 3.97Å; F196-F203 HydrophobicContact CE1-CB 3.82Å; F196-F203 HydrophobicContact CE1-CG 4.5Å; F196-F203 HydrophobicContact CE2-CD2 4.08Å; F196-F203 HydrophobicContact CG-CD2 4.15Å; F196-F203 HydrophobicContact CZ-CB 4.19Å; F196-F203 HydrophobicContact CZ-CD2 4.37Å; F196-F203 HydrophobicContact CZ-CG 4.45Å; F203-V205 HydrophobicContact CD1-CG2 3.54Å; F203-V205 HydrophobicContact CE1-CB 4.49Å; F203-V205 HydrophobicContact CE1-CG2 3.04Å; F203-V205 HydrophobicContact CZ-CG2 3.67Å; F203-A214 WeakPolarHBondContact O-CA 3.26Å; F203-W215 HydrophobicContact CB-CB 4.49Å; F203-W215 PolarHBondContact N-O 2.91Å; F203-W215 PolarHBondContact O-N 3.11Å |
| 204 | I | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.8 | -178.6 | -55.3 | 176.5 | 0 | 0 | 0 | 108.1 | G194 K195 T197 A213 A214 I245 F251 L256 F269 | G194-I204 CarbonylContact C-O 3.55Å; G194-I204 WeakPolarHBondContact CA-O 3.07Å; K195-I204 PolarHBondContact N-O 2.7Å; K195-I204 PolarHBondContact O-N 3.24Å; T197-I204 HydrophobicContact CG2-CD1 4.32Å; I204-A213 CarbonylContact C-O 3.17Å; I204-A213 WeakPolarHBondContact CA-O 3.49Å; I204-A214 HydrophobicContact CG1-CB 4.32Å; I204-I245 HydrophobicContact CB-CD1 4.38Å; I204-I245 HydrophobicContact CD1-CD1 3.37Å; I204-I245 HydrophobicContact CD1-CG1 3.96Å; I204-I245 HydrophobicContact CD1-CG2 4.45Å; I204-I245 HydrophobicContact CG1-CD1 4.12Å; I204-F251 HydrophobicContact CD1-CE2 3.61Å; I204-F251 HydrophobicContact CD1-CZ 3.93Å; I204-F251 HydrophobicContact CG1-CE2 4.39Å; I204-F251 HydrophobicContact CG1-CZ 4.44Å; I204-L256 HydrophobicContact CG2-CD1 4.43Å; I204-F269 HydrophobicContact CD1-CE1 4.4Å; I204-F269 HydrophobicContact CD1-CE2 3.88Å; I204-F269 HydrophobicContact CD1-CZ 3.54Å; I204-F269 HydrophobicContact CG1-CZ 4.43Å; I204-F269 HydrophobicContact CG2-CZ 4.15Å |
| 205 | V | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 140.6 | -177.9 | -176.6 | 0 | 0 | 0 | 0 | 109 | P154 V191 G193 F203 Y207 I212 A213 | P154-V205 HydrophobicContact CB-CG2 4.38Å; P154-V205 HydrophobicContact CG-CB 4.45Å; P154-V205 HydrophobicContact CG-CG1 3.98Å; P154-V205 HydrophobicContact CG-CG2 3.81Å; V191-V205 HydrophobicContact CB-CG1 4.33Å; V191-V205 HydrophobicContact CG1-CG1 3.61Å; V191-V205 HydrophobicContact CG2-CG1 3.9Å; G193-V205 WeakPolarHBondContact O-CA 3.48Å; F203-V205 HydrophobicContact CD1-CG2 3.54Å; F203-V205 HydrophobicContact CE1-CB 4.49Å; F203-V205 HydrophobicContact CE1-CG2 3.04Å; F203-V205 HydrophobicContact CZ-CG2 3.67Å; V205-Y207 HydrophobicContact CB-CE2 4.12Å; V205-Y207 HydrophobicContact CG1-CD2 4.21Å; V205-Y207 HydrophobicContact CG1-CE1 4.14Å; V205-Y207 HydrophobicContact CG1-CE2 3.68Å; V205-I212 CarbonylContact O-C 3.4Å; V205-I212 WeakPolarHBondContact O-CA 3.49Å; V205-A213 PolarHBondContact N-O 2.86Å; V205-A213 PolarHBondContact O-N 2.85Å |
| 206 | M | 89.8 | Confident | 89.6 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.4 | 168.9 | -168.5 | 167.4 | 70.5 | 0 | 0 | 109.8 | I192 G193 R211 I212 M228 V241 I243 Y258 | I192-M206 HydrophobicContact CD1-CE 3.71Å; I192-M206 HydrophobicContact CD1-CG 4.12Å; I192-M206 HydrophobicContact CG1-CB 4.34Å; I192-M206 HydrophobicContact CG1-CE 4.09Å; I192-M206 HydrophobicContact CG1-CG 4.21Å; I192-M206 WeakPolarHBondContact CG1-O 2.91Å; I192-M206 PolarHBondContact N-O 3.27Å; G193-M206 PolarHBondContact N-O 2.65Å; G193-M206 PolarHBondContact O-N 2.8Å; M206-R211 WeakPolarHBondContact CA-O 3.2Å; M206-I212 HydrophobicContact CB-CG2 4.49Å; M206-I212 HydrophobicContact CG-CG2 4.25Å; M206-M228 HydrophobicContact CG-CE 4.14Å; M206-M228 HydrophobicContact SD-CE 3.77Å; M206-V241 HydrophobicContact CE-CB 4.41Å; M206-V241 HydrophobicContact CE-CG2 3.27Å; M206-I243 HydrophobicContact CB-CG2 4.47Å; M206-I243 HydrophobicContact CE-CG2 3.46Å; M206-I243 VanDerWaalsContact CE-CG2 3.46Å; M206-I243 HydrophobicContact SD-CG2 4.12Å; M206-Y258 HydrophobicContact CE-CD2 4.46Å; M206-Y258 HydrophobicContact SD-CD2 3.84Å; M206-Y258 HydrophobicContact SD-CG 3.95Å |
| 207 | Y | 87.4 | Confident | 89.6 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 154.3 | 178.8 | -58.2 | -94.5 | 0 | 0 | 0 | 110.5 | L171 E189 R190 V191 V205 S209 R210 R211 A213 | L171-Y207 HydrophobicContact CD1-CD1 4.5Å; L171-Y207 HydrophobicContact CD1-CD2 4.18Å; L171-Y207 HydrophobicContact CD1-CE1 4.12Å; L171-Y207 HydrophobicContact CD1-CE2 3.78Å; L171-Y207 HydrophobicContact CD2-CE2 3.83Å; L171-Y207 WeakPolarHBondContact CD2-OH 3.32Å; L171-Y207 HydrophobicContact CG-CE1 4.35Å; L171-Y207 HydrophobicContact CG-CE2 4.1Å; E189-Y207 HydrophobicContact CB-CD1 4.25Å; R190-Y207 CarbonylContact O-C 3.58Å; R190-Y207 VanDerWaalsContact O-CA 3.23Å; R190-Y207 WeakPolarHBondContact O-CA 3.43Å; V191-Y207 HydrophobicContact CG2-CD1 4.04Å; V191-Y207 HydrophobicContact CG2-CE1 3.68Å; V205-Y207 HydrophobicContact CB-CE2 4.12Å; V205-Y207 HydrophobicContact CG1-CD2 4.21Å; V205-Y207 HydrophobicContact CG1-CE1 4.14Å; V205-Y207 HydrophobicContact CG1-CE2 3.68Å; Y207-S209 PolarHBondContact O-N 3.19Å; Y207-R210 PolarHBondContact O-N 2.73Å; Y207-R211 HydrophobicContact CD2-CB 4.01Å; Y207-R211 WeakPolarHBondContact CD2-O 3.31Å; Y207-R211 PolarHBondContact N-O 3.34Å; Y207-A213 HydrophobicContact CE2-CB 3.94Å |
| 208 | D | 82.1 | Confident | 89.5 | Confident | 37 Ų | 37 | 32.9 Ų | 32.9 | 20% | 0.198 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.1 | 173.1 | 59.8 | -6 | 0 | 0 | 0 | 113 | R190 I192 R210 | R190-D208 PolarHBondContact N-OD1 2.92Å; R190-D208 PolarHBondContact N-OD2 3.08Å; R190-D208 IonicContact NE-OD2 2.73Å; R190-D208 PolarHBondContact O-N 2.96Å; I192-D208 HydrophobicContact CG2-CB 3.8Å; D208-R210 PolarHBondContact O-N 2.91Å |
| 209 | S | 78.8 | Confident | 89.7 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 11.6 | 171.6 | 67.6 | 0 | 0 | 0 | 0 | 114.8 | E189 Y207 R211 | E189-S209 PolarHBondContact OE2-OG 3.33Å; Y207-S209 PolarHBondContact O-N 3.19Å; S209-R211 PolarHBondContact O-N 3.15Å; S209-R211 VanDerWaalsContact O-N 3.13Å; S209-R211 WeakPolarHBondContact OG-CG 3.42Å |
| 210 | R | 79.5 | Confident | 89.8 | Confident | 55 Ų | 55 | 31 Ų | 31 | 21% | 0.208 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 60.7 | 21.5 | -179.3 | -46.7 | 175.2 | -140.6 | 156.2 | 18 | 113 | E183 Y207 D208 M228 I232 | E183-R210 IonicContact OE1-NH2 3.13Å; Y207-R210 PolarHBondContact O-N 2.73Å; D208-R210 PolarHBondContact O-N 2.91Å; R210-M228 WeakPolarHBondContact O-CB 3.48Å; R210-M228 PolarHBondContact O-N 2.74Å; R210-I232 WeakPolarHBondContact CD-O 3.25Å; R210-I232 PolarHBondContact NE-O 2.97Å; R210-I232 PolarHBondContact NH1-O 2.89Å |
| 211 | R | 86.8 | Confident | 89.9 | Confident | 31 Ų | 31 | 33.9 Ų | 33.9 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 148.1 | 173.1 | -65.8 | -174.9 | -171.6 | 158.2 | 20.4 | 110 | W181 E189 M206 Y207 S209 R226 | W181-R211 VanDerWaalsContact CH2-NH2 3.3Å; E189-R211 VanDerWaalsContact CD-NH1 3.26Å; E189-R211 IonicContact OE1-CZ 2.75Å; E189-R211 IonicContact OE1-NE 3.6Å; E189-R211 IonicContact OE1-NH1 3.95Å; E189-R211 PolarHBondContact OE1-NH1 3.34Å; E189-R211 IonicContact OE1-NH2 3.85Å; E189-R211 PolarHBondContact OE1-NH2 3.33Å; E189-R211 IonicContact OE2-CZ 3.63Å; E189-R211 IonicContact OE2-NH1 2.94Å; E189-R211 PolarHBondContact OE2-NH1 2.67Å; E189-R211 VanDerWaalsContact OE2-NH1 3.13Å; M206-R211 WeakPolarHBondContact CA-O 3.2Å; Y207-R211 HydrophobicContact CD2-CB 4.01Å; Y207-R211 WeakPolarHBondContact CD2-O 3.31Å; Y207-R211 PolarHBondContact N-O 3.34Å; S209-R211 PolarHBondContact O-N 3.15Å; S209-R211 VanDerWaalsContact O-N 3.13Å; S209-R211 WeakPolarHBondContact OG-CG 3.42Å; R211-R226 CarbonylContact C-O 3.47Å; R211-R226 WeakPolarHBondContact CA-O 3.23Å |
| 212 | I | 90.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 145.9 | 166.2 | 61.3 | 170.1 | 0 | 0 | 0 | 109.4 | V205 M206 L224 Q225 R226 M228 L256 F267 F269 | V205-I212 CarbonylContact O-C 3.4Å; V205-I212 WeakPolarHBondContact O-CA 3.49Å; M206-I212 HydrophobicContact CB-CG2 4.49Å; M206-I212 HydrophobicContact CG-CG2 4.25Å; I212-L224 HydrophobicContact CD1-CD2 4.06Å; I212-L224 HydrophobicContact CG1-CD2 4.12Å; I212-Q225 WeakPolarHBondContact O-CA 3.35Å; I212-R226 HydrophobicContact CD1-CB 4.42Å; I212-R226 HydrophobicContact CG1-CB 3.99Å; I212-R226 PolarHBondContact N-O 2.82Å; I212-R226 PolarHBondContact O-N 2.93Å; I212-M228 HydrophobicContact CG1-CG 4.49Å; I212-M228 HydrophobicContact CG2-CE 3.69Å; I212-M228 HydrophobicContact CG2-CG 4.17Å; I212-M228 HydrophobicContact CG2-SD 3.6Å; I212-L256 HydrophobicContact CD1-CD2 4.45Å; I212-L256 HydrophobicContact CG2-CD2 3.76Å; I212-F267 HydrophobicContact CD1-CD1 3.7Å; I212-F267 HydrophobicContact CD1-CD2 4.26Å; I212-F267 HydrophobicContact CD1-CE1 3.34Å; I212-F267 HydrophobicContact CD1-CE2 3.94Å; I212-F267 HydrophobicContact CD1-CG 4.16Å; I212-F267 HydrophobicContact CD1-CZ 3.48Å; I212-F267 VanDerWaalsContact CD1-CZ 3.48Å; I212-F269 HydrophobicContact CD1-CE1 4.13Å |
| 213 | A | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L171 I204 V205 Y207 L222 L224 | L171-A213 HydrophobicContact CD2-CB 3.64Å; I204-A213 CarbonylContact C-O 3.17Å; I204-A213 WeakPolarHBondContact CA-O 3.49Å; V205-A213 PolarHBondContact N-O 2.86Å; V205-A213 PolarHBondContact O-N 2.85Å; Y207-A213 HydrophobicContact CE2-CB 3.94Å; A213-L222 HydrophobicContact CB-CD1 3.9Å; A213-L224 CarbonylContact C-O 3.56Å; A213-L224 WeakPolarHBondContact CA-O 3.39Å |
| 214 | A | 93.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | F203 I204 K223 L224 F251 | F203-A214 WeakPolarHBondContact O-CA 3.26Å; I204-A214 HydrophobicContact CG1-CB 4.32Å; A214-K223 PolarHBondContact O-N 2.81Å; A214-L224 HydrophobicContact CB-CB 3.96Å; A214-L224 HydrophobicContact CB-CD2 4.44Å; A214-L224 PolarHBondContact N-O 2.92Å; A214-L224 PolarHBondContact O-N 3.17Å; A214-F251 HydrophobicContact CB-CZ 4.37Å |
| 215 | W | 93.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.5 | 179.9 | -59.9 | 89 | 0 | 0 | 0 | 109.3 | L169 F170 L171 R202 F203 M220 L222 | L169-W215 HydrophobicContact CB-CD2 4.39Å; L169-W215 HydrophobicContact CB-CE3 4.47Å; L169-W215 HydrophobicContact CB-CH2 3.82Å; L169-W215 HydrophobicContact CB-CZ2 3.71Å; L169-W215 HydrophobicContact CB-CZ3 4.2Å; L169-W215 HydrophobicContact CD1-CB 4.48Å; L169-W215 HydrophobicContact CD1-CD2 3.75Å; L169-W215 HydrophobicContact CD1-CE3 4.11Å; L169-W215 HydrophobicContact CD1-CG 3.9Å; L169-W215 HydrophobicContact CD2-CE3 4.35Å; L169-W215 HydrophobicContact CD2-CZ3 4.33Å; F170-W215 WeakPolarHBondContact O-CH2 3.42Å; L171-W215 HydrophobicContact CD2-CZ2 4.46Å; R202-W215 CarbonylContact C-O 3.6Å; R202-W215 WeakPolarHBondContact CA-O 3.2Å; F203-W215 HydrophobicContact CB-CB 4.49Å; F203-W215 PolarHBondContact N-O 2.91Å; F203-W215 PolarHBondContact O-N 3.11Å; W215-M220 HydrophobicContact CB-SD 4.19Å; W215-L222 HydrophobicContact CD2-CB 4.46Å; W215-L222 HydrophobicContact CD2-CD1 4.04Å; W215-L222 HydrophobicContact CE3-CB 3.89Å; W215-L222 HydrophobicContact CE3-CD1 4.32Å; W215-L222 VanDerWaalsContact CE3-N 3.33Å; W215-L222 HydrophobicContact CH2-CB 4Å; W215-L222 HydrophobicContact CH2-CD1 4.12Å; W215-L222 HydrophobicContact CH2-CG 4.49Å; W215-L222 HydrophobicContact CZ2-CD1 3.83Å; W215-L222 HydrophobicContact CZ3-CB 3.66Å; W215-L222 HydrophobicContact CZ3-CD1 4.36Å |
| 216 | A | 92.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 129.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T219 M220 T221 K223 | A216-T219 PolarHBondContact O-OG1 3.35Å; A216-M220 WeakPolarHBondContact O-CA 3.46Å; A216-M220 PolarHBondContact O-N 3.27Å; A216-T221 PolarHBondContact N-O 3.32Å; A216-T221 PolarHBondContact O-N 3.47Å; A216-K223 HydrophobicContact CB-CD 4.21Å; A216-K223 VanDerWaalsContact CB-CE 3.49Å; A216-K223 HydrophobicContact CB-CG 3.68Å |
| 217 | F | 91.1 | Very high | 89.2 | Confident | 37 Ų | 37 | 40 Ų | 40 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 142.2 | 175 | -172.8 | -93 | 0 | 0 | 0 | 110 | N146 F196 G200 R201 M220 | N146-F217 HydrophobicContact CB-CE2 3.99Å; N146-F217 HydrophobicContact CB-CZ 3.65Å; F196-F217 HydrophobicContact CE1-CB 4.06Å; F196-F217 HydrophobicContact CE1-CD1 4.5Å; F196-F217 AromaticContact CE1-CD2 3.68Å; F196-F217 HydrophobicContact CE1-CD2 3.68Å; F196-F217 HydrophobicContact CE1-CE2 4.29Å; F196-F217 AromaticContact CE1-CG 3.81Å; F196-F217 HydrophobicContact CE1-CG 3.81Å; F196-F217 AromaticContact CZ-CD2 3.92Å; F196-F217 HydrophobicContact CZ-CD2 3.92Å; F196-F217 HydrophobicContact CZ-CE2 4.15Å; F196-F217 HydrophobicContact CZ-CG 4.47Å; G200-F217 WeakPolarHBondContact O-CB 3.43Å; G200-F217 VanDerWaalsContact O-CD1 3.23Å; G200-F217 WeakPolarHBondContact O-CD1 3.43Å; R201-F217 PolarHBondContact O-N 3.48Å; F217-M220 HydrophobicContact CD2-CE 3.39Å; F217-M220 HydrophobicContact CD2-SD 3.88Å; F217-M220 HydrophobicContact CE2-CE 3.78Å |
| 218 | P | 90.2 | Very high | 88.9 | Confident | 99 Ų | 99 | 40 Ų | 40 | 64% | 0.643 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88.1 | -6.6 | 5.2 | 34.7 | -36.3 | 0 | 0 | 0 | 115.1 | M220 | P218-M220 PolarHBondContact O-N 3.1Å; P218-M220 VanDerWaalsContact O-N 3.1Å |
| 219 | T | 91.8 | Very high | 88.2 | Confident | 83 Ų | 83 | 42.1 Ų | 42.1 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19 | -174.2 | 65.6 | 0 | 0 | 0 | 0 | 113.4 | K167 A216 T221 | K167-T219 PolarHBondContact NZ-O 3.46Å; A216-T219 PolarHBondContact O-OG1 3.35Å; T219-T221 WeakPolarHBondContact CB-OG1 3.46Å; T219-T221 PolarHBondContact O-N 3.12Å; T219-T221 PolarHBondContact OG1-N 2.8Å; T219-T221 PolarHBondContact OG1-OG1 2.84Å |
| 220 | M | 92.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 49.8 | -170.1 | -61.6 | -63 | -155.1 | 0 | 0 | 111.2 | V148 V156 K167 L169 F196 W215 A216 F217 P218 | V148-M220 HydrophobicContact CG2-CE 3.45Å; V148-M220 VanDerWaalsContact CG2-CE 3.45Å; V156-M220 HydrophobicContact CB-CE 4.29Å; V156-M220 HydrophobicContact CG1-CE 3.78Å; V156-M220 HydrophobicContact CG2-CE 3.5Å; V156-M220 VanDerWaalsContact CG2-CE 3.5Å; V156-M220 HydrophobicContact CG2-CG 4.08Å; V156-M220 HydrophobicContact CG2-SD 4.4Å; K167-M220 HydrophobicContact CD-CB 3.86Å; K167-M220 HydrophobicContact CD-CG 4.38Å; K167-M220 PolarHBondContact NZ-O 2.7Å; L169-M220 HydrophobicContact CD1-CB 4.27Å; L169-M220 HydrophobicContact CD1-CG 4.39Å; L169-M220 HydrophobicContact CD1-SD 4.06Å; L169-M220 HydrophobicContact CD2-CB 3.57Å; L169-M220 HydrophobicContact CD2-CG 4.2Å; F196-M220 HydrophobicContact CZ-CE 4.26Å; W215-M220 HydrophobicContact CB-SD 4.19Å; A216-M220 WeakPolarHBondContact O-CA 3.46Å; A216-M220 PolarHBondContact O-N 3.27Å; F217-M220 HydrophobicContact CD2-CE 3.39Å; F217-M220 HydrophobicContact CD2-SD 3.88Å; F217-M220 HydrophobicContact CE2-CE 3.78Å; P218-M220 PolarHBondContact O-N 3.1Å; P218-M220 VanDerWaalsContact O-N 3.1Å |
| 221 | T | 92.8 | Very high | 85.9 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.5 | 173.3 | -50.6 | 0 | 0 | 0 | 0 | 108.3 | A216 T219 K223 | A216-T221 PolarHBondContact N-O 3.32Å; A216-T221 PolarHBondContact O-N 3.47Å; T219-T221 WeakPolarHBondContact CB-OG1 3.46Å; T219-T221 PolarHBondContact O-N 3.12Å; T219-T221 PolarHBondContact OG1-N 2.8Å; T219-T221 PolarHBondContact OG1-OG1 2.84Å; T221-K223 PolarHBondContact O-N 2.91Å |
| 222 | L | 92.8 | Very high | 84.3 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 123.7 | 175.3 | -173.4 | 64.7 | 0 | 0 | 0 | 109.6 | Q172 A213 W215 L224 Q225 | Q172-L222 HydrophobicContact CB-CD2 4.18Å; Q172-L222 HydrophobicContact CG-CD2 3.95Å; A213-L222 HydrophobicContact CB-CD1 3.9Å; W215-L222 HydrophobicContact CD2-CB 4.46Å; W215-L222 HydrophobicContact CD2-CD1 4.04Å; W215-L222 HydrophobicContact CE3-CB 3.89Å; W215-L222 HydrophobicContact CE3-CD1 4.32Å; W215-L222 VanDerWaalsContact CE3-N 3.33Å; W215-L222 HydrophobicContact CH2-CB 4Å; W215-L222 HydrophobicContact CH2-CD1 4.12Å; W215-L222 HydrophobicContact CH2-CG 4.49Å; W215-L222 HydrophobicContact CZ2-CD1 3.83Å; W215-L222 HydrophobicContact CZ3-CB 3.66Å; W215-L222 HydrophobicContact CZ3-CD1 4.36Å; L222-L224 WeakPolarHBondContact CD1-O 3.42Å; L222-Q225 HydrophobicContact CD2-CB 4.31Å |
| 223 | K | 92.6 | Very high | 82.6 | Confident | 138 Ų | 138 | 58 Ų | 58 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -28.5 | 179.1 | -66.5 | -56.3 | -174.8 | 179.8 | 0 | 112.8 | A214 A216 T221 | A214-K223 PolarHBondContact O-N 2.81Å; A216-K223 HydrophobicContact CB-CD 4.21Å; A216-K223 VanDerWaalsContact CB-CE 3.49Å; A216-K223 HydrophobicContact CB-CG 3.68Å; T221-K223 PolarHBondContact O-N 2.91Å |
| 224 | L | 90.7 | Very high | 80.7 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 137.5 | -176.6 | 179.3 | 144.4 | 0 | 0 | 0 | 108.7 | I212 A213 A214 L222 R226 F269 M272 | I212-L224 HydrophobicContact CD1-CD2 4.06Å; I212-L224 HydrophobicContact CG1-CD2 4.12Å; A213-L224 CarbonylContact C-O 3.56Å; A213-L224 WeakPolarHBondContact CA-O 3.39Å; A214-L224 HydrophobicContact CB-CB 3.96Å; A214-L224 HydrophobicContact CB-CD2 4.44Å; A214-L224 PolarHBondContact N-O 2.92Å; A214-L224 PolarHBondContact O-N 3.17Å; L222-L224 WeakPolarHBondContact CD1-O 3.42Å; L224-R226 HydrophobicContact CD2-CB 4.4Å; L224-F269 HydrophobicContact CD1-CD1 4.11Å; L224-F269 HydrophobicContact CD2-CE1 4.41Å; L224-M272 HydrophobicContact CD1-CE 3.51Å; L224-M272 HydrophobicContact CD1-SD 3.56Å; L224-M272 VanDerWaalsContact CD1-SD 3.56Å; L224-M272 HydrophobicContact CG-CE 3.96Å |
| 225 | Q | 90.1 | Very high | 78.9 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 124.8 | 169.8 | 179.2 | 176.9 | -26.4 | 0 | 0 | 106.8 | L171 Q172 I212 L222 | L171-Q225 HydrophobicContact CD2-CG 4.3Å; Q172-Q225 PolarHBondContact O-NE2 3.48Å; Q172-Q225 VanDerWaalsContact O-NE2 3.1Å; Q172-Q225 PolarHBondContact O-OE1 2.81Å; I212-Q225 WeakPolarHBondContact O-CA 3.35Å; L222-Q225 HydrophobicContact CD2-CB 4.31Å |
| 226 | R | 87.9 | Confident | 77 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 140.8 | -175.1 | -167 | 64.4 | 172.1 | 176 | 4 | 110.7 | R211 I212 L224 F267 M272 | R211-R226 CarbonylContact C-O 3.47Å; R211-R226 WeakPolarHBondContact CA-O 3.23Å; I212-R226 HydrophobicContact CD1-CB 4.42Å; I212-R226 HydrophobicContact CG1-CB 3.99Å; I212-R226 PolarHBondContact N-O 2.82Å; I212-R226 PolarHBondContact O-N 2.93Å; L224-R226 HydrophobicContact CD2-CB 4.4Å; R226-F267 HydrophobicContact CG-CE2 4.48Å; R226-F267 HydrophobicContact CG-CZ 4.4Å; R226-M272 HydrophobicContact CB-CE 4.18Å; R226-M272 HydrophobicContact CG-CE 4.09Å |
| 227 | C | 84.6 | Confident | 75.3 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 14% | 0.135 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 133 | 166.5 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | H229 | C227-H229 VanDerWaalsContact C-N 3.34Å; C227-H229 PolarHBondContact O-N 3.3Å; C227-H229 PolarHBondContact SG-CE1 2.75Å |
| 228 | M | 81.7 | Confident | 73.8 | Confident | 7 Ų | 7 | 80.3 Ų | 80.3 | 3% | 0.034 | 40% | 0.402 | C | S | . | . | trans | -87.1 | 74.8 | 172.5 | -58.1 | -173.4 | -65.1 | 0 | 0 | 108.6 | M206 R210 I212 Y258 F267 V274 | M206-M228 HydrophobicContact CG-CE 4.14Å; M206-M228 HydrophobicContact SD-CE 3.77Å; R210-M228 WeakPolarHBondContact O-CB 3.48Å; R210-M228 PolarHBondContact O-N 2.74Å; I212-M228 HydrophobicContact CG1-CG 4.49Å; I212-M228 HydrophobicContact CG2-CE 3.69Å; I212-M228 HydrophobicContact CG2-CG 4.17Å; I212-M228 HydrophobicContact CG2-SD 3.6Å; M228-Y258 HydrophobicContact CE-CD2 4.29Å; M228-Y258 HydrophobicContact CE-CE1 4.5Å; M228-Y258 HydrophobicContact CE-CE2 3.89Å; M228-Y258 HydrophobicContact SD-CD1 4.48Å; M228-Y258 HydrophobicContact SD-CE1 3.87Å; M228-Y258 HydrophobicContact SD-CE2 4.25Å; M228-F267 HydrophobicContact CG-CD2 3.98Å; M228-F267 HydrophobicContact CG-CE2 4.3Å; M228-F267 HydrophobicContact SD-CB 4.31Å; M228-F267 HydrophobicContact SD-CD2 4.11Å; M228-F267 HydrophobicContact SD-CG 4.36Å; M228-V274 HydrophobicContact CB-CG2 4.25Å | ||
| 229 | H | 67 | Low | 72.5 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 38% | 0.375 | 38% | 0.38 | S | S | . | . | trans | -68.7 | 150.8 | -179.3 | -75.4 | -61.4 | 0 | 0 | 0 | 113.1 | C227 | C227-H229 VanDerWaalsContact C-N 3.34Å; C227-H229 PolarHBondContact O-N 3.3Å; C227-H229 PolarHBondContact SG-CE1 2.75Å | ||
| 230 | R | 58.6 | Low | 71.5 | Confident | 222 Ų | 222 | 73.9 Ų | 73.9 | 84% | 0.838 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 82.5 | 115.6 | 176.8 | -59.1 | -175 | 177.7 | -172.5 | -1.1 | 116.6 | ||
| 231 | G | 51.3 | Low | 70.8 | Confident | 79 Ų | 79 | 73.9 Ų | 73.9 | 81% | 0.814 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 97.3 | -9.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 232 | I | 53.4 | Low | 70.2 | Confident | 20 Ų | 20 | 73.5 Ų | 73.5 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | trans | -103.5 | 114.8 | -175.9 | -57.5 | 158.6 | 0 | 0 | 0 | 108.3 | R210 Y258 V260 F277 | R210-I232 WeakPolarHBondContact CD-O 3.25Å; R210-I232 PolarHBondContact NE-O 2.97Å; R210-I232 PolarHBondContact NH1-O 2.89Å; I232-Y258 HydrophobicContact CD1-CE2 3.83Å; I232-Y258 WeakPolarHBondContact CD1-OH 3.38Å; I232-V260 HydrophobicContact CB-CG1 4.48Å; I232-V260 HydrophobicContact CD1-CG1 3.84Å; I232-V260 HydrophobicContact CG1-CB 4.46Å; I232-V260 HydrophobicContact CG1-CG1 3.9Å; I232-V260 HydrophobicContact CG2-CB 4.05Å; I232-V260 HydrophobicContact CG2-CG1 3.72Å; I232-F277 HydrophobicContact CD1-CE1 3.86Å; I232-F277 HydrophobicContact CD1-CZ 3.92Å; I232-F277 HydrophobicContact CG1-CE1 3.82Å; I232-F277 HydrophobicContact CG1-CZ 3.88Å | ||
| 233 | Q | 55 | Low | 70 | Confident | 114 Ų | 114 | 72.3 Ų | 72.3 | 53% | 0.533 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 136.7 | 166.7 | -79.5 | -174.3 | -0.4 | 0 | 0 | 108.7 | M235 | Q233-M235 PolarHBondContact O-N 3.34Š|
| 234 | P | 51.3 | Low | 69.7 | Low | 61 Ų | 61 | 66 Ų | 66 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 142.5 | 172.9 | 24.5 | -27.9 | 0 | 0 | 0 | 108.2 | K236 | P234-K236 PolarHBondContact O-N 3.21Š|
| 235 | M | 56.3 | Low | 69.5 | Low | 44 Ų | 44 | 64.9 Ų | 64.9 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 116.5 | 174.9 | -84.4 | -174.3 | -88.7 | 0 | 0 | 108.1 | I192 Q233 Y237 V241 | I192-M235 HydrophobicContact CD1-CE 3.52Å; Q233-M235 PolarHBondContact O-N 3.34Å; M235-Y237 PolarHBondContact O-N 2.95Å; M235-V241 HydrophobicContact CE-CB 4.07Å; M235-V241 HydrophobicContact CE-CG1 3.22Å; M235-V241 HydrophobicContact CE-CG2 3.72Å; M235-V241 HydrophobicContact SD-CG1 3.36Å; M235-V241 WeakPolarHBondContact SD-CG1 3.26Å |
| 236 | K | 53.2 | Low | 69.3 | Low | 166 Ų | 166 | 64.2 Ų | 64.2 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -70.5 | -12.5 | 175.9 | -74.9 | -173.1 | 175.8 | -178.7 | 0 | 112.3 | P234 | P234-K236 PolarHBondContact O-N 3.21Š|
| 237 | Y | 55.9 | Low | 69.1 | Low | 132 Ų | 132 | 60.8 Ų | 60.8 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -103.1 | 138.3 | -176.5 | -61.9 | -77.8 | 0 | 0 | 0 | 110.1 | M235 A239 Y284 | M235-Y237 PolarHBondContact O-N 2.95Å; Y237-A239 PolarHBondContact O-N 2.87Å; Y237-Y284 HydrophobicContact CD2-CE2 4.34Å; Y237-Y284 HydrophobicContact CE2-CD2 4.24Å; Y237-Y284 AromaticContact CE2-CE2 3.83Å; Y237-Y284 HydrophobicContact CE2-CE2 3.83Å |
| 238 | E | 59.6 | Low | 68.9 | Low | 134 Ų | 134 | 62.6 Ų | 62.6 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | trans | -72.7 | 51.2 | 173.6 | -55.8 | -170.7 | 140.7 | 0 | 0 | 110.5 | F134 R190 | F134-E238 WeakPolarHBondContact CE1-O 3.1Å; R190-E238 IonicContact CZ-OE1 3.46Å; R190-E238 IonicContact NH1-OE1 3.36Å; R190-E238 PolarHBondContact NH1-OE1 3.49Å; R190-E238 IonicContact NH2-OE1 2.67Å | ||
| 239 | A | 64.3 | Low | 68.7 | Low | 23 Ų | 23 | 68 Ų | 68 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | trans | -105.9 | 135.8 | -175 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y237 | Y237-A239 PolarHBondContact O-N 2.87Š| ||
| 240 | A | 70.3 | Confident | 69.4 | Low | 24 Ų | 24 | 67 Ų | 67 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | trans | -56.1 | 137.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L92 F134 | L92-A240 WeakPolarHBondContact O-CB 3.26Å; F134-A240 HydrophobicContact CB-CB 4.09Å; F134-A240 WeakPolarHBondContact O-CB 3.48Å | ||
| 241 | V | 77.7 | Confident | 70.5 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | trans | -116.7 | 131.5 | 165.8 | -74 | 0 | 0 | 0 | 0 | 111.9 | I192 G193 M206 M235 I243 P259 | I192-V241 HydrophobicContact CB-CG2 3.98Å; I192-V241 HydrophobicContact CD1-CG2 3.87Å; I192-V241 HydrophobicContact CG1-CG2 3.86Å; I192-V241 WeakPolarHBondContact O-CG2 3.41Å; I192-V241 PolarHBondContact O-N 2.8Å; G193-V241 WeakPolarHBondContact CA-O 3.5Å; M206-V241 HydrophobicContact CE-CB 4.41Å; M206-V241 HydrophobicContact CE-CG2 3.27Å; M235-V241 HydrophobicContact CE-CB 4.07Å; M235-V241 HydrophobicContact CE-CG1 3.22Å; M235-V241 HydrophobicContact CE-CG2 3.72Å; M235-V241 HydrophobicContact SD-CG1 3.36Å; M235-V241 WeakPolarHBondContact SD-CG1 3.26Å; V241-I243 PolarHBondContact O-N 3.03Å; V241-P259 HydrophobicContact CB-CG 4.13Å; V241-P259 HydrophobicContact CG1-CB 4.29Å; V241-P259 HydrophobicContact CG1-CG 4.25Å | ||
| 242 | R | 80.9 | Confident | 72.2 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 110.6 | 172.2 | -171.1 | 174.5 | 178.7 | 141.4 | 1.9 | 109.9 | I43 D44 E244 P259 Q286 S287 C288 | I43-R242 PolarHBondContact O-NH1 3Å; D44-R242 VanDerWaalsContact CA-NH1 3.35Å; D44-R242 VanDerWaalsContact CB-NH1 3.34Å; D44-R242 IonicContact OD1-CZ 3.76Å; D44-R242 IonicContact OD1-NH1 2.99Å; D44-R242 PolarHBondContact OD1-NH1 2.86Å; D44-R242 IonicContact OD1-NH2 3.71Å; D44-R242 PolarHBondContact OD1-NH2 3.49Å; R242-E244 IonicContact NE-OE1 3.6Å; R242-E244 IonicContact NH2-OE1 3.53Å; R242-P259 WeakPolarHBondContact O-CD 3.41Å; R242-P259 WeakPolarHBondContact O-CG 3.5Å; R242-Q286 PolarHBondContact N-O 2.85Å; R242-S287 WeakPolarHBondContact CB-OG 3.35Å; R242-S287 WeakPolarHBondContact CD-OG 3.44Å; R242-C288 PolarHBondContact O-N 2.99Å; R242-C288 PolarHBondContact O-SG 3.13Å |
| 243 | I | 87.2 | Confident | 73.7 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | trans | -91.1 | 152.9 | 171.7 | 64.8 | 175.6 | 0 | 0 | 0 | 111.1 | K195 M206 V241 L256 | K195-I243 HydrophobicContact CB-CD1 4.18Å; K195-I243 HydrophobicContact CB-CG1 3.99Å; K195-I243 WeakPolarHBondContact CD-O 3.43Å; M206-I243 HydrophobicContact CB-CG2 4.47Å; M206-I243 HydrophobicContact CE-CG2 3.46Å; M206-I243 VanDerWaalsContact CE-CG2 3.46Å; M206-I243 HydrophobicContact SD-CG2 4.12Å; V241-I243 PolarHBondContact O-N 3.03Å; I243-L256 HydrophobicContact CB-CD1 4.04Å; I243-L256 HydrophobicContact CD1-CD1 3.95Å; I243-L256 HydrophobicContact CG1-CD1 4.38Å | ||
| 244 | E | 87.2 | Confident | 75.3 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152.5 | 176.7 | -79.6 | -65.8 | 153.6 | 0 | 0 | 111.6 | K195 R242 I257 C288 L290 | K195-E244 IonicContact NZ-OE1 2.67Å; K195-E244 PolarHBondContact NZ-OE1 3.11Å; K195-E244 IonicContact NZ-OE2 2.7Å; K195-E244 PolarHBondContact NZ-OE2 3.04Å; R242-E244 IonicContact NE-OE1 3.6Å; R242-E244 IonicContact NH2-OE1 3.53Å; E244-I257 HydrophobicContact CB-CB 4.13Å; E244-I257 PolarHBondContact N-O 3.36Å; E244-I257 PolarHBondContact O-N 2.67Å; E244-C288 WeakPolarHBondContact CG-O 3.29Å; E244-L290 HydrophobicContact CB-CB 4.34Å; E244-L290 HydrophobicContact CG-CB 4.33Å |
| 245 | I | 86.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117 | 177.8 | -49.8 | 162.3 | 0 | 0 | 0 | 108 | K195 T197 I204 E247 L255 L256 R292 | K195-I245 HydrophobicContact CB-CD1 4.01Å; K195-I245 HydrophobicContact CD-CD1 4.4Å; K195-I245 HydrophobicContact CD-CG1 4.42Å; K195-I245 HydrophobicContact CG-CD1 3.98Å; K195-I245 HydrophobicContact CG-CG1 4.49Å; T197-I245 HydrophobicContact CG2-CD1 4.32Å; I204-I245 HydrophobicContact CB-CD1 4.38Å; I204-I245 HydrophobicContact CD1-CD1 3.37Å; I204-I245 HydrophobicContact CD1-CG1 3.96Å; I204-I245 HydrophobicContact CD1-CG2 4.45Å; I204-I245 HydrophobicContact CG1-CD1 4.12Å; I245-E247 HydrophobicContact CB-CG 4.11Å; I245-E247 HydrophobicContact CG2-CG 3.51Å; I245-E247 PolarHBondContact O-N 2.83Å; I245-L255 CarbonylContact C-O 3.6Å; I245-L255 WeakPolarHBondContact CA-O 3.49Å; I245-L256 HydrophobicContact CG1-CD1 4.45Å; I245-R292 PolarHBondContact O-NH2 3.33Å |
| 246 | F | 85.5 | Confident | 78.8 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 17% | 0.171 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 100.2 | 165 | -171.9 | -88.7 | 0 | 0 | 0 | 107.4 | E248 S254 L255 I257 L290 L315 | F246-E248 WeakPolarHBondContact CE1-OE1 3.22Å; F246-S254 CarbonylContact O-C 3.59Å; F246-S254 WeakPolarHBondContact O-CA 3.25Å; F246-S254 VanDerWaalsContact O-CB 3.28Å; F246-S254 WeakPolarHBondContact O-CB 3.34Å; F246-L255 HydrophobicContact CB-CB 4.18Å; F246-L255 HydrophobicContact CD1-CD1 4.46Å; F246-L255 PolarHBondContact N-O 3.42Å; F246-L255 PolarHBondContact O-N 2.87Å; F246-I257 HydrophobicContact CB-CD1 4.3Å; F246-L290 HydrophobicContact CB-CD2 4.16Å; F246-L290 HydrophobicContact CD2-CD2 3.58Å; F246-L290 HydrophobicContact CE2-CD2 4.47Å; F246-L290 HydrophobicContact CG-CD2 4.34Å; F246-L315 HydrophobicContact CZ-CD2 4.42Å |
| 247 | E | 83.3 | Confident | 80.5 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | trans | -89.1 | 127.9 | -172.5 | -71.6 | 175.3 | -111.8 | 0 | 0 | 112.5 | T197 S198 I245 S254 R292 | T197-E247 WeakPolarHBondContact CB-OE2 3.43Å; S198-E247 VanDerWaalsContact CB-OE1 3.3Å; S198-E247 WeakPolarHBondContact CB-OE1 3.4Å; S198-E247 PolarHBondContact N-OE1 2.6Å; S198-E247 PolarHBondContact N-OE2 2.94Å; S198-E247 PolarHBondContact OG-OE1 2.9Å; S198-E247 PolarHBondContact OG-OE2 3.25Å; S198-E247 VanDerWaalsContact OG-OE2 3.05Å; I245-E247 HydrophobicContact CB-CG 4.11Å; I245-E247 HydrophobicContact CG2-CG 3.51Å; I245-E247 PolarHBondContact O-N 2.83Å; E247-S254 WeakPolarHBondContact CA-OG 3.36Å; E247-R292 IonicContact OE1-CZ 3.92Å; E247-R292 IonicContact OE1-NH2 2.63Å; E247-R292 PolarHBondContact OE1-NH2 3.16Å | ||
| 248 | E | 80.1 | Confident | 82 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | trans | -98.3 | 157.8 | 169 | -76.1 | -68 | 152.4 | 0 | 0 | 110.2 | F246 C250 K253 S254 | F246-E248 WeakPolarHBondContact CE1-OE1 3.22Å; E248-C250 CarbonylContact O-C 3.49Å; E248-C250 PolarHBondContact O-N 3.43Å; E248-K253 HydrophobicContact CB-CB 3.68Å; E248-K253 HydrophobicContact CG-CB 3.86Å; E248-K253 WeakPolarHBondContact CG-O 3.11Å; E248-S254 PolarHBondContact N-OG 2.82Å; E248-S254 VanDerWaalsContact N-OG 3.09Å | ||
| 249 | P | 77.3 | Confident | 83.1 | Confident | 120 Ų | 120 | 32.5 Ų | 32.5 | 78% | 0.779 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -53.2 | -28.1 | 176.2 | -26.9 | 35.2 | 0 | 0 | 0 | 113.6 | ||
| 250 | C | 82.6 | Confident | 83.8 | Confident | 62 Ų | 62 | 31.8 Ų | 31.8 | 42% | 0.419 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -103.9 | 117.1 | 167.2 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | E248 L252 K253 | E248-C250 CarbonylContact O-C 3.49Å; E248-C250 PolarHBondContact O-N 3.43Å; C250-L252 PolarHBondContact O-N 2.62Å; C250-L252 VanDerWaalsContact O-N 3.07Å; C250-K253 HydrophobicContact CB-CD 4.43Å; C250-K253 HydrophobicContact CB-CG 4.24Å; C250-K253 WeakPolarHBondContact O-CA 3.29Å; C250-K253 WeakPolarHBondContact O-CB 3.24Å; C250-K253 PolarHBondContact O-N 3.34Å |
| 251 | F | 81.7 | Confident | 84.2 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -51 | -36.1 | 179.4 | 172.1 | -101.5 | 0 | 0 | 0 | 114.1 | T197 I204 A214 K253 S254 F269 | T197-F251 HydrophobicContact CG2-CD2 3.9Å; T197-F251 HydrophobicContact CG2-CE2 3.89Å; I204-F251 HydrophobicContact CD1-CE2 3.61Å; I204-F251 HydrophobicContact CD1-CZ 3.93Å; I204-F251 HydrophobicContact CG1-CE2 4.39Å; I204-F251 HydrophobicContact CG1-CZ 4.44Å; A214-F251 HydrophobicContact CB-CZ 4.37Å; F251-K253 PolarHBondContact O-N 3.03Å; F251-S254 WeakPolarHBondContact O-CB 3.31Å; F251-S254 PolarHBondContact O-N 3.4Å; F251-S254 PolarHBondContact O-OG 3.48Å; F251-F269 HydrophobicContact CE1-CD1 4.16Å; F251-F269 HydrophobicContact CE1-CG 4.24Å; F251-F269 HydrophobicContact CE2-CD2 4.28Å; F251-F269 HydrophobicContact CE2-CE2 4.24Å; F251-F269 HydrophobicContact CE2-CZ 4.5Å; F251-F269 AromaticContact CZ-CD1 3.89Å; F251-F269 HydrophobicContact CZ-CD1 3.89Å; F251-F269 HydrophobicContact CZ-CD2 4.11Å; F251-F269 AromaticContact CZ-CE1 3.93Å; F251-F269 HydrophobicContact CZ-CE1 3.93Å; F251-F269 HydrophobicContact CZ-CE2 4.16Å; F251-F269 HydrophobicContact CZ-CG 4Å; F251-F269 HydrophobicContact CZ-CZ 4.09Å |
| 252 | L | 86.3 | Confident | 84.1 | Confident | 98 Ų | 98 | 33.9 Ų | 33.9 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -62.2 | -28.3 | 178.5 | -69.1 | 174.1 | 0 | 0 | 0 | 111.6 | C250 S254 F269 E270 | C250-L252 PolarHBondContact O-N 2.62Å; C250-L252 VanDerWaalsContact O-N 3.07Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-F269 CarbonylContact O-C 3.56Å; L252-F269 WeakPolarHBondContact O-CB 3.41Å; L252-E270 WeakPolarHBondContact O-CA 3.44Å; L252-E270 WeakPolarHBondContact O-CB 3.16Å; L252-E270 PolarHBondContact O-N 2.87Å |
| 253 | K | 85.3 | Confident | 84.1 | Confident | 108 Ų | 108 | 32 Ų | 32 | 47% | 0.47 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -83.4 | -8.1 | 176.1 | -61.7 | -170.5 | 172.8 | -166 | 0 | 113.7 | E248 C250 F251 | E248-K253 HydrophobicContact CB-CB 3.68Å; E248-K253 HydrophobicContact CG-CB 3.86Å; E248-K253 WeakPolarHBondContact CG-O 3.11Å; C250-K253 HydrophobicContact CB-CD 4.43Å; C250-K253 HydrophobicContact CB-CG 4.24Å; C250-K253 WeakPolarHBondContact O-CA 3.29Å; C250-K253 WeakPolarHBondContact O-CB 3.24Å; C250-K253 PolarHBondContact O-N 3.34Å; F251-K253 PolarHBondContact O-N 3.03Å |
| 254 | S | 88.2 | Confident | 83.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | trans | -65.2 | 160.9 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | F246 E247 E248 F251 L252 F269 | F246-S254 CarbonylContact O-C 3.59Å; F246-S254 WeakPolarHBondContact O-CA 3.25Å; F246-S254 VanDerWaalsContact O-CB 3.28Å; F246-S254 WeakPolarHBondContact O-CB 3.34Å; E247-S254 WeakPolarHBondContact CA-OG 3.36Å; E248-S254 PolarHBondContact N-OG 2.82Å; E248-S254 VanDerWaalsContact N-OG 3.09Å; F251-S254 WeakPolarHBondContact O-CB 3.31Å; F251-S254 PolarHBondContact O-N 3.4Å; F251-S254 PolarHBondContact O-OG 3.48Å; L252-S254 VanDerWaalsContact C-N 3.31Å; S254-F269 WeakPolarHBondContact O-CD2 3.46Å; S254-F269 PolarHBondContact O-N 2.78Å | ||
| 255 | L | 90.1 | Very high | 83.8 | Confident | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.1 | 176.6 | -51.5 | 169.7 | 0 | 0 | 0 | 109.7 | I245 F246 I266 F267 I318 | I245-L255 CarbonylContact C-O 3.6Å; I245-L255 WeakPolarHBondContact CA-O 3.49Å; F246-L255 HydrophobicContact CB-CB 4.18Å; F246-L255 HydrophobicContact CD1-CD1 4.46Å; F246-L255 PolarHBondContact N-O 3.42Å; F246-L255 PolarHBondContact O-N 2.87Å; L255-I266 HydrophobicContact CB-CG2 4.1Å; L255-I266 HydrophobicContact CD1-CG2 4.17Å; L255-I266 HydrophobicContact CD2-CG2 4.49Å; L255-I266 HydrophobicContact CG-CG2 4.49Å; L255-F267 CarbonylContact C-O 3.55Å; L255-F267 VanDerWaalsContact CA-O 3.31Å; L255-F267 WeakPolarHBondContact CA-O 3.39Å; L255-I318 HydrophobicContact CD1-CB 4.43Å; L255-I318 HydrophobicContact CD1-CD1 3.11Å; L255-I318 HydrophobicContact CD1-CG1 3.5Å; L255-I318 VanDerWaalsContact CD1-CG1 3.5Å; L255-I318 HydrophobicContact CD1-CG2 4.02Å |
| 256 | L | 90.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.7 | 167.8 | 173.4 | 69.6 | 0 | 0 | 0 | 108.1 | I204 I212 I243 I245 Y258 I266 F267 F269 | I204-L256 HydrophobicContact CG2-CD1 4.43Å; I212-L256 HydrophobicContact CD1-CD2 4.45Å; I212-L256 HydrophobicContact CG2-CD2 3.76Å; I243-L256 HydrophobicContact CB-CD1 4.04Å; I243-L256 HydrophobicContact CD1-CD1 3.95Å; I243-L256 HydrophobicContact CG1-CD1 4.38Å; I245-L256 HydrophobicContact CG1-CD1 4.45Å; L256-Y258 HydrophobicContact CD2-CD1 4.37Å; L256-Y258 HydrophobicContact CG-CD1 4.14Å; L256-I266 CarbonylContact O-C 3.58Å; L256-I266 WeakPolarHBondContact O-CA 3.25Å; L256-F267 HydrophobicContact CB-CB 4.17Å; L256-F267 HydrophobicContact CB-CD1 4.38Å; L256-F267 PolarHBondContact N-O 2.89Å; L256-F267 PolarHBondContact O-N 3.06Å; L256-F269 HydrophobicContact CB-CE2 3.78Å; L256-F269 HydrophobicContact CB-CZ 3.85Å |
| 257 | I | 88.9 | Confident | 84 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.5 | 175.6 | -55.1 | 174.9 | 0 | 0 | 0 | 106.2 | E244 F246 V264 G265 C288 L297 | E244-I257 HydrophobicContact CB-CB 4.13Å; E244-I257 PolarHBondContact N-O 3.36Å; E244-I257 PolarHBondContact O-N 2.67Å; F246-I257 HydrophobicContact CB-CD1 4.3Å; I257-V264 HydrophobicContact CG2-CG1 3.24Å; I257-G265 WeakPolarHBondContact CA-O 3.45Å; I257-C288 HydrophobicContact CG2-CB 4.48Å; I257-L297 HydrophobicContact CD1-CD1 4.45Å; I257-L297 HydrophobicContact CG2-CD1 4Å; I257-L297 HydrophobicContact CG2-CD2 4.14Å |
| 258 | Y | 87.3 | Confident | 84.4 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 144.2 | -174.1 | 63 | -80.7 | 0 | 0 | 0 | 112.2 | M206 M228 I232 L256 V260 V264 G265 F267 V274 | M206-Y258 HydrophobicContact CE-CD2 4.46Å; M206-Y258 HydrophobicContact SD-CD2 3.84Å; M206-Y258 HydrophobicContact SD-CG 3.95Å; M228-Y258 HydrophobicContact CE-CD2 4.29Å; M228-Y258 HydrophobicContact CE-CE1 4.5Å; M228-Y258 HydrophobicContact CE-CE2 3.89Å; M228-Y258 HydrophobicContact SD-CD1 4.48Å; M228-Y258 HydrophobicContact SD-CE1 3.87Å; M228-Y258 HydrophobicContact SD-CE2 4.25Å; I232-Y258 HydrophobicContact CD1-CE2 3.83Å; I232-Y258 WeakPolarHBondContact CD1-OH 3.38Å; L256-Y258 HydrophobicContact CD2-CD1 4.37Å; L256-Y258 HydrophobicContact CG-CD1 4.14Å; Y258-V260 HydrophobicContact CD2-CG1 3.67Å; Y258-V260 HydrophobicContact CE2-CG1 3.33Å; Y258-V264 CarbonylContact O-C 3.6Å; Y258-V264 WeakPolarHBondContact O-CA 3.35Å; Y258-G265 VanDerWaalsContact CD1-O 3.26Å; Y258-G265 WeakPolarHBondContact CD1-O 3.46Å; Y258-G265 VanDerWaalsContact CE1-C 3.48Å; Y258-G265 WeakPolarHBondContact CE1-O 3.22Å; Y258-G265 PolarHBondContact N-O 3.07Å; Y258-G265 PolarHBondContact O-N 3.14Å; Y258-F267 HydrophobicContact CE1-CB 3.92Å; Y258-V274 WeakPolarHBondContact OH-CG2 3.12Å |
| 259 | P | 83.3 | Confident | 84.8 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 142.9 | 176.6 | -17.3 | 31.4 | 0 | 0 | 0 | 112.2 | V241 R242 V285 C288 | V241-P259 HydrophobicContact CB-CG 4.13Å; V241-P259 HydrophobicContact CG1-CB 4.29Å; V241-P259 HydrophobicContact CG1-CG 4.25Å; R242-P259 WeakPolarHBondContact O-CD 3.41Å; R242-P259 WeakPolarHBondContact O-CG 3.5Å; P259-V285 HydrophobicContact CB-CB 4.04Å; P259-V285 HydrophobicContact CB-CG1 3.94Å; P259-V285 WeakPolarHBondContact CB-O 3.39Å; P259-C288 HydrophobicContact CG-CB 4.5Å |
| 260 | V | 79.5 | Confident | 85.4 | Confident | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 171.8 | 168.6 | -61 | 0 | 0 | 0 | 0 | 109.2 | I232 Y258 G262 S263 F277 | I232-V260 HydrophobicContact CB-CG1 4.48Å; I232-V260 HydrophobicContact CD1-CG1 3.84Å; I232-V260 HydrophobicContact CG1-CB 4.46Å; I232-V260 HydrophobicContact CG1-CG1 3.9Å; I232-V260 HydrophobicContact CG2-CB 4.05Å; I232-V260 HydrophobicContact CG2-CG1 3.72Å; Y258-V260 HydrophobicContact CD2-CG1 3.67Å; Y258-V260 HydrophobicContact CE2-CG1 3.33Å; V260-G262 PolarHBondContact O-N 3.34Å; V260-S263 CarbonylContact C-O 3.57Å; V260-S263 WeakPolarHBondContact CG2-O 3.4Å; V260-S263 PolarHBondContact N-O 3.17Å; V260-S263 PolarHBondContact O-N 3.38Å; V260-F277 HydrophobicContact CG1-CE1 4.42Å; V260-F277 HydrophobicContact CG2-CD1 3.95Å; V260-F277 HydrophobicContact CG2-CE1 4.11Å |
| 261 | L | 78.3 | Confident | 85.7 | Confident | 65 Ų | 65 | 27 Ų | 27 | 34% | 0.34 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 115.5 | 177.8 | 177.2 | 52.6 | 0 | 0 | 0 | 111.1 | S263 Y284 | L261-S263 PolarHBondContact O-N 2.89Å; L261-S263 VanDerWaalsContact O-N 3.09Å; L261-Y284 HydrophobicContact CB-CD1 4.31Å; L261-Y284 HydrophobicContact CB-CE1 4Å; L261-Y284 HydrophobicContact CD1-CD1 3.76Å; L261-Y284 HydrophobicContact CD1-CD2 3.57Å; L261-Y284 HydrophobicContact CD1-CE1 3.64Å; L261-Y284 HydrophobicContact CD1-CE2 3.44Å; L261-Y284 VanDerWaalsContact CD1-CE2 3.44Å; L261-Y284 HydrophobicContact CD1-CG 3.72Å; L261-Y284 VanDerWaalsContact CD1-CZ 3.47Å; L261-Y284 HydrophobicContact CD2-CE1 4.47Å; L261-Y284 HydrophobicContact CG-CE1 4.24Å |
| 262 | G | 75.8 | Confident | 86 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.6 | 1.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | V260 I280 R281 S283 | V260-G262 PolarHBondContact O-N 3.34Å; G262-I280 PolarHBondContact O-N 3.43Å; G262-R281 CarbonylContact C-O 3.25Å; G262-R281 VanDerWaalsContact C-O 3.25Å; G262-R281 WeakPolarHBondContact CA-O 3.25Å; G262-R281 PolarHBondContact O-N 3.46Å; G262-S283 WeakPolarHBondContact CA-O 3.45Å; G262-S283 PolarHBondContact N-O 2.82Å |
| 263 | S | 80.5 | Confident | 86.1 | Confident | 16 Ų | 16 | 30 Ų | 30 | 11% | 0.112 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 170.4 | -170.9 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | V260 L261 H278 S279 | V260-S263 CarbonylContact C-O 3.57Å; V260-S263 WeakPolarHBondContact CG2-O 3.4Å; V260-S263 PolarHBondContact N-O 3.17Å; V260-S263 PolarHBondContact O-N 3.38Å; L261-S263 PolarHBondContact O-N 2.89Å; L261-S263 VanDerWaalsContact O-N 3.09Å; S263-H278 CarbonylContact C-O 3.55Å; S263-H278 WeakPolarHBondContact CA-O 3.4Å; S263-H278 VanDerWaalsContact CB-O 3.3Å; S263-H278 WeakPolarHBondContact CB-O 3.49Å; S263-S279 WeakPolarHBondContact OG-CA 3.19Å; S263-S279 PolarHBondContact OG-OG 3.17Å |
| 264 | V | 82.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.6 | 164.9 | 168.7 | 0 | 0 | 0 | 0 | 108.9 | I257 Y258 F277 H278 I280 V285 C288 L297 T299 | I257-V264 HydrophobicContact CG2-CG1 3.24Å; Y258-V264 CarbonylContact O-C 3.6Å; Y258-V264 WeakPolarHBondContact O-CA 3.35Å; V264-F277 CarbonylContact O-C 3.54Å; V264-F277 WeakPolarHBondContact O-CA 3.39Å; V264-H278 PolarHBondContact N-O 3.23Å; V264-H278 PolarHBondContact O-N 3.34Å; V264-I280 HydrophobicContact CB-CD1 4.21Å; V264-I280 HydrophobicContact CG2-CD1 3.5Å; V264-V285 HydrophobicContact CG2-CG1 4.09Å; V264-C288 HydrophobicContact CG2-CB 4.24Å; V264-L297 HydrophobicContact CB-CD2 4.37Å; V264-L297 HydrophobicContact CG1-CD2 4.01Å; V264-L297 HydrophobicContact CG2-CD2 4.33Å; V264-T299 HydrophobicContact CG2-CG2 3.93Å |
| 265 | G | 85.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 143.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I257 Y258 | I257-G265 WeakPolarHBondContact CA-O 3.45Å; Y258-G265 VanDerWaalsContact CD1-O 3.26Å; Y258-G265 WeakPolarHBondContact CD1-O 3.46Å; Y258-G265 VanDerWaalsContact CE1-C 3.48Å; Y258-G265 WeakPolarHBondContact CE1-O 3.22Å; Y258-G265 PolarHBondContact N-O 3.07Å; Y258-G265 PolarHBondContact O-N 3.14Å |
| 266 | I | 88 | Confident | 85.9 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 113.6 | 173.4 | -54.3 | -175.5 | 0 | 0 | 0 | 108.5 | L255 L256 V274 V275 T276 V314 | L255-I266 HydrophobicContact CB-CG2 4.1Å; L255-I266 HydrophobicContact CD1-CG2 4.17Å; L255-I266 HydrophobicContact CD2-CG2 4.49Å; L255-I266 HydrophobicContact CG-CG2 4.49Å; L256-I266 CarbonylContact O-C 3.58Å; L256-I266 WeakPolarHBondContact O-CA 3.25Å; I266-V274 CarbonylContact O-C 3.5Å; I266-V274 WeakPolarHBondContact O-CA 3.15Å; I266-V274 WeakPolarHBondContact O-CG1 3.38Å; I266-V275 HydrophobicContact CB-CG2 4.1Å; I266-V275 HydrophobicContact CG2-CG2 3.77Å; I266-V275 VanDerWaalsContact O-CG2 3.31Å; I266-V275 WeakPolarHBondContact O-CG2 3.08Å; I266-V275 PolarHBondContact O-N 3.06Å; I266-T276 HydrophobicContact CB-CG2 3.96Å; I266-T276 HydrophobicContact CD1-CG2 3.67Å; I266-T276 HydrophobicContact CG1-CG2 4.01Å; I266-T276 PolarHBondContact N-O 2.79Å; I266-V314 HydrophobicContact CD1-CG1 3.36Å; I266-V314 HydrophobicContact CD1-CG2 4.48Å |
| 267 | F | 89.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.3 | 176.1 | 176.2 | -83.4 | 0 | 0 | 0 | 110.4 | I212 R226 M228 L255 L256 Y258 F269 M272 K273 V274 | I212-F267 HydrophobicContact CD1-CD1 3.7Å; I212-F267 HydrophobicContact CD1-CD2 4.26Å; I212-F267 HydrophobicContact CD1-CE1 3.34Å; I212-F267 HydrophobicContact CD1-CE2 3.94Å; I212-F267 HydrophobicContact CD1-CG 4.16Å; I212-F267 HydrophobicContact CD1-CZ 3.48Å; I212-F267 VanDerWaalsContact CD1-CZ 3.48Å; R226-F267 HydrophobicContact CG-CE2 4.48Å; R226-F267 HydrophobicContact CG-CZ 4.4Å; M228-F267 HydrophobicContact CG-CD2 3.98Å; M228-F267 HydrophobicContact CG-CE2 4.3Å; M228-F267 HydrophobicContact SD-CB 4.31Å; M228-F267 HydrophobicContact SD-CD2 4.11Å; M228-F267 HydrophobicContact SD-CG 4.36Å; L255-F267 CarbonylContact C-O 3.55Å; L255-F267 VanDerWaalsContact CA-O 3.31Å; L255-F267 WeakPolarHBondContact CA-O 3.39Å; L256-F267 HydrophobicContact CB-CB 4.17Å; L256-F267 HydrophobicContact CB-CD1 4.38Å; L256-F267 PolarHBondContact N-O 2.89Å; L256-F267 PolarHBondContact O-N 3.06Å; Y258-F267 HydrophobicContact CE1-CB 3.92Å; F267-F269 HydrophobicContact CD1-CD1 4.28Å; F267-F269 HydrophobicContact CD1-CE1 4.28Å; F267-F269 AromaticContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CE1 4Å; F267-F269 HydrophobicContact CE1-CG 4.23Å; F267-M272 HydrophobicContact CZ-SD 4.33Å; F267-K273 VanDerWaalsContact CD2-C 3.47Å; F267-V274 HydrophobicContact CD2-CG2 4.34Å |
| 268 | S | 90 | Very high | 85 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.4 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | E270 K271 M272 K273 V275 | S268-E270 PolarHBondContact O-N 3.14Å; S268-E270 PolarHBondContact OG-N 2.89Å; S268-K271 PolarHBondContact OG-N 2.76Å; S268-K271 VanDerWaalsContact OG-N 3.12Å; S268-M272 WeakPolarHBondContact O-CA 3.5Å; S268-M272 PolarHBondContact O-N 2.86Å; S268-K273 PolarHBondContact N-O 2.95Å; S268-V275 VanDerWaalsContact CB-CG1 3.47Å |
| 269 | F | 89.8 | Confident | 84.6 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23 | 173.5 | -70.6 | -72.2 | 0 | 0 | 0 | 112.5 | I204 I212 L224 F251 L252 S254 L256 F267 M272 | I204-F269 HydrophobicContact CD1-CE1 4.4Å; I204-F269 HydrophobicContact CD1-CE2 3.88Å; I204-F269 HydrophobicContact CD1-CZ 3.54Å; I204-F269 HydrophobicContact CG1-CZ 4.43Å; I204-F269 HydrophobicContact CG2-CZ 4.15Å; I212-F269 HydrophobicContact CD1-CE1 4.13Å; L224-F269 HydrophobicContact CD1-CD1 4.11Å; L224-F269 HydrophobicContact CD2-CE1 4.41Å; F251-F269 HydrophobicContact CE1-CD1 4.16Å; F251-F269 HydrophobicContact CE1-CG 4.24Å; F251-F269 HydrophobicContact CE2-CD2 4.28Å; F251-F269 HydrophobicContact CE2-CE2 4.24Å; F251-F269 HydrophobicContact CE2-CZ 4.5Å; F251-F269 AromaticContact CZ-CD1 3.89Å; F251-F269 HydrophobicContact CZ-CD1 3.89Å; F251-F269 HydrophobicContact CZ-CD2 4.11Å; F251-F269 AromaticContact CZ-CE1 3.93Å; F251-F269 HydrophobicContact CZ-CE1 3.93Å; F251-F269 HydrophobicContact CZ-CE2 4.16Å; F251-F269 HydrophobicContact CZ-CG 4Å; F251-F269 HydrophobicContact CZ-CZ 4.09Å; L252-F269 CarbonylContact O-C 3.56Å; L252-F269 WeakPolarHBondContact O-CB 3.41Å; S254-F269 WeakPolarHBondContact O-CD2 3.46Å; S254-F269 PolarHBondContact O-N 2.78Å; L256-F269 HydrophobicContact CB-CE2 3.78Å; L256-F269 HydrophobicContact CB-CZ 3.85Å; F267-F269 HydrophobicContact CD1-CD1 4.28Å; F267-F269 HydrophobicContact CD1-CE1 4.28Å; F267-F269 AromaticContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CE1 4Å; F267-F269 HydrophobicContact CE1-CG 4.23Å; F269-M272 WeakPolarHBondContact O-CG 2.96Å |
| 270 | E | 89.8 | Confident | 84 | Confident | 112 Ų | 112 | 41.2 Ų | 41.2 | 52% | 0.523 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -50.3 | 179.6 | -178.7 | 172 | -141.1 | 0 | 0 | 109.6 | L252 S268 M272 | L252-E270 WeakPolarHBondContact O-CA 3.44Å; L252-E270 WeakPolarHBondContact O-CB 3.16Å; L252-E270 PolarHBondContact O-N 2.87Å; S268-E270 PolarHBondContact O-N 3.14Å; S268-E270 PolarHBondContact OG-N 2.89Å; E270-M272 VanDerWaalsContact C-N 3.28Å; E270-M272 PolarHBondContact O-N 2.94Å |
| 271 | K | 88.2 | Confident | 83.4 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.1 | -178.8 | -60.6 | 176.5 | 179.4 | 170.9 | 0 | 112.5 | S268 K273 V275 | S268-K271 PolarHBondContact OG-N 2.76Å; S268-K271 VanDerWaalsContact OG-N 3.12Å; K271-K273 HydrophobicContact CB-CG 3.94Å; K271-K273 PolarHBondContact O-N 2.83Å; K271-V275 HydrophobicContact CB-CG1 4.4Å; K271-V275 HydrophobicContact CD-CG1 3.77Å |
| 272 | M | 88.7 | Confident | 82.6 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 29% | 0.286 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.8 | -179.4 | -67.6 | -65.9 | -73.8 | 0 | 0 | 113.7 | L224 R226 F267 S268 F269 E270 | L224-M272 HydrophobicContact CD1-CE 3.51Å; L224-M272 HydrophobicContact CD1-SD 3.56Å; L224-M272 VanDerWaalsContact CD1-SD 3.56Å; L224-M272 HydrophobicContact CG-CE 3.96Å; R226-M272 HydrophobicContact CB-CE 4.18Å; R226-M272 HydrophobicContact CG-CE 4.09Å; F267-M272 HydrophobicContact CZ-SD 4.33Å; S268-M272 WeakPolarHBondContact O-CA 3.5Å; S268-M272 PolarHBondContact O-N 2.86Å; F269-M272 WeakPolarHBondContact O-CG 2.96Å; E270-M272 VanDerWaalsContact C-N 3.28Å; E270-M272 PolarHBondContact O-N 2.94Å |
| 273 | K | 88.6 | Confident | 82.2 | Confident | 126 Ų | 126 | 52.9 Ų | 52.9 | 55% | 0.548 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 161.8 | -178.8 | 67.7 | -177.2 | -179.2 | 177.9 | 0 | 111.3 | F267 S268 K271 V275 | F267-K273 VanDerWaalsContact CD2-C 3.47Å; S268-K273 PolarHBondContact N-O 2.95Å; K271-K273 HydrophobicContact CB-CG 3.94Å; K271-K273 PolarHBondContact O-N 2.83Å; K273-V275 PolarHBondContact O-N 3.01Å |
| 274 | V | 86.4 | Confident | 81.8 | Confident | 31 Ų | 31 | 54 Ų | 54 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 125.6 | 165.6 | -172 | 0 | 0 | 0 | 0 | 108.3 | M228 Y258 I266 F267 F277 | M228-V274 HydrophobicContact CB-CG2 4.25Å; Y258-V274 WeakPolarHBondContact OH-CG2 3.12Å; I266-V274 CarbonylContact O-C 3.5Å; I266-V274 WeakPolarHBondContact O-CA 3.15Å; I266-V274 WeakPolarHBondContact O-CG1 3.38Å; F267-V274 HydrophobicContact CD2-CG2 4.34Å; V274-F277 HydrophobicContact CG1-CD2 4.34Å; V274-F277 HydrophobicContact CG1-CE1 4.14Å; V274-F277 HydrophobicContact CG1-CE2 3.77Å; V274-F277 HydrophobicContact CG1-CZ 3.67Å |
| 275 | V | 86.3 | Confident | 81.3 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -29 | -175.9 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | I266 S268 K271 K273 | I266-V275 HydrophobicContact CB-CG2 4.1Å; I266-V275 HydrophobicContact CG2-CG2 3.77Å; I266-V275 VanDerWaalsContact O-CG2 3.31Å; I266-V275 WeakPolarHBondContact O-CG2 3.08Å; I266-V275 PolarHBondContact O-N 3.06Å; S268-V275 VanDerWaalsContact CB-CG1 3.47Å; K271-V275 HydrophobicContact CB-CG1 4.4Å; K271-V275 HydrophobicContact CD-CG1 3.77Å; K273-V275 PolarHBondContact O-N 3.01Å |
| 276 | T | 86.4 | Confident | 80.6 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 161.6 | 175.2 | -164.8 | 0 | 0 | 0 | 0 | 110 | I266 | I266-T276 HydrophobicContact CB-CG2 3.96Å; I266-T276 HydrophobicContact CD1-CG2 3.67Å; I266-T276 HydrophobicContact CG1-CG2 4.01Å; I266-T276 PolarHBondContact N-O 2.79Å |
| 277 | F | 83.1 | Confident | 79.8 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.8 | 160.8 | -65.9 | -85.2 | 0 | 0 | 0 | 108.5 | I232 V260 V264 V274 | I232-F277 HydrophobicContact CD1-CE1 3.86Å; I232-F277 HydrophobicContact CD1-CZ 3.92Å; I232-F277 HydrophobicContact CG1-CE1 3.82Å; I232-F277 HydrophobicContact CG1-CZ 3.88Å; V260-F277 HydrophobicContact CG1-CE1 4.42Å; V260-F277 HydrophobicContact CG2-CD1 3.95Å; V260-F277 HydrophobicContact CG2-CE1 4.11Å; V264-F277 CarbonylContact O-C 3.54Å; V264-F277 WeakPolarHBondContact O-CA 3.39Å; V274-F277 HydrophobicContact CG1-CD2 4.34Å; V274-F277 HydrophobicContact CG1-CE1 4.14Å; V274-F277 HydrophobicContact CG1-CE2 3.77Å; V274-F277 HydrophobicContact CG1-CZ 3.67Å |
| 278 | H | 78.2 | Confident | 79.2 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 106.3 | 169 | -175.4 | 62.5 | 0 | 0 | 0 | 107.6 | S263 V264 | S263-H278 CarbonylContact C-O 3.55Å; S263-H278 WeakPolarHBondContact CA-O 3.4Å; S263-H278 VanDerWaalsContact CB-O 3.3Å; S263-H278 WeakPolarHBondContact CB-O 3.49Å; V264-H278 PolarHBondContact N-O 3.23Å; V264-H278 PolarHBondContact O-N 3.34Å |
| 279 | S | 78.8 | Confident | 78.4 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.8 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | S263 | S263-S279 WeakPolarHBondContact OG-CA 3.19Å; S263-S279 PolarHBondContact OG-OG 3.17Å |
| 280 | I | 69.2 | Low | 77.8 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -57.2 | -174.2 | -62.9 | 169.2 | 0 | 0 | 0 | 108.3 | G262 V264 V285 T299 C306 | G262-I280 PolarHBondContact O-N 3.43Å; V264-I280 HydrophobicContact CB-CD1 4.21Å; V264-I280 HydrophobicContact CG2-CD1 3.5Å; I280-V285 HydrophobicContact CD1-CG2 4.1Å; I280-T299 HydrophobicContact CD1-CG2 3.49Å; I280-T299 VanDerWaalsContact CD1-CG2 3.49Å; I280-C306 HydrophobicContact CG2-CB 4.04Å |
| 281 | R | 68.4 | Low | 77 | Confident | 125 Ų | 125 | 54.9 Ų | 54.9 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 179.1 | -179.4 | -70.8 | -163 | -174.6 | -170.3 | 1.1 | 111.1 | G262 S283 C304 | G262-R281 CarbonylContact C-O 3.25Å; G262-R281 VanDerWaalsContact C-O 3.25Å; G262-R281 WeakPolarHBondContact CA-O 3.25Å; G262-R281 PolarHBondContact O-N 3.46Å; R281-S283 VanDerWaalsContact C-N 3.29Å; R281-C304 WeakPolarHBondContact CD-SG 3.49Å; R281-C304 PolarHBondContact NE-SG 2.94Å; R281-C304 PolarHBondContact NH1-SG 2.74Å |
| 282 | E | 61.6 | Low | 76.1 | Confident | 189 Ų | 189 | 55 Ų | 55 | 88% | 0.883 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -14.9 | 176.4 | -62.6 | -173.4 | 167.8 | 0 | 0 | 113 | ||
| 283 | S | 67.5 | Low | 75.1 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 159 | -177.8 | 46.6 | 0 | 0 | 0 | 0 | 114.7 | G262 R281 V285 E303 | G262-S283 WeakPolarHBondContact CA-O 3.45Å; G262-S283 PolarHBondContact N-O 2.82Å; R281-S283 VanDerWaalsContact C-N 3.29Å; S283-V285 PolarHBondContact O-N 3.39Å; S283-E303 WeakPolarHBondContact CB-OE2 3.38Å; S283-E303 VanDerWaalsContact OG-CD 3.24Å; S283-E303 PolarHBondContact OG-OE2 3.28Å |
| 284 | Y | 71.4 | Confident | 74 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 121.7 | -178.5 | -81.5 | -89.8 | 0 | 0 | 0 | 111.9 | Y237 L261 S301 | Y237-Y284 HydrophobicContact CD2-CE2 4.34Å; Y237-Y284 HydrophobicContact CE2-CD2 4.24Å; Y237-Y284 AromaticContact CE2-CE2 3.83Å; Y237-Y284 HydrophobicContact CE2-CE2 3.83Å; L261-Y284 HydrophobicContact CB-CD1 4.31Å; L261-Y284 HydrophobicContact CB-CE1 4Å; L261-Y284 HydrophobicContact CD1-CD1 3.76Å; L261-Y284 HydrophobicContact CD1-CD2 3.57Å; L261-Y284 HydrophobicContact CD1-CE1 3.64Å; L261-Y284 HydrophobicContact CD1-CE2 3.44Å; L261-Y284 VanDerWaalsContact CD1-CE2 3.44Å; L261-Y284 HydrophobicContact CD1-CG 3.72Å; L261-Y284 VanDerWaalsContact CD1-CZ 3.47Å; L261-Y284 HydrophobicContact CD2-CE1 4.47Å; L261-Y284 HydrophobicContact CG-CE1 4.24Å; Y284-S301 WeakPolarHBondContact O-CA 3.41Å; Y284-S301 WeakPolarHBondContact O-CB 3.49Å |
| 285 | V | 72.3 | Confident | 73.1 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 121.3 | 168.6 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | P259 V264 I280 S283 Y300 | P259-V285 HydrophobicContact CB-CB 4.04Å; P259-V285 HydrophobicContact CB-CG1 3.94Å; P259-V285 WeakPolarHBondContact CB-O 3.39Å; V264-V285 HydrophobicContact CG2-CG1 4.09Å; I280-V285 HydrophobicContact CD1-CG2 4.1Å; S283-V285 PolarHBondContact O-N 3.39Å; V285-Y300 CarbonylContact C-O 3.54Å; V285-Y300 WeakPolarHBondContact CA-O 3.21Å; V285-Y300 WeakPolarHBondContact CG1-O 3.27Å |
| 286 | Q | 69.9 | Low | 72.3 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -32.6 | 178.6 | -69.7 | -168.1 | -22.1 | 0 | 0 | 112.5 | R242 Y300 Y302 | R242-Q286 PolarHBondContact N-O 2.85Å; Q286-Y300 HydrophobicContact CB-CD1 4.04Å; Q286-Y300 HydrophobicContact CB-CE1 4.28Å; Q286-Y300 PolarHBondContact N-O 2.76Å; Q286-Y302 HydrophobicContact CG-CD2 4.39Å; Q286-Y302 HydrophobicContact CG-CE2 4.19Å; Q286-Y302 PolarHBondContact NE2-OH 2.62Å; Q286-Y302 VanDerWaalsContact NE2-OH 3.11Å |
| 287 | S | 72.4 | Confident | 71.6 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.4 | -173.5 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | R242 T299 Y300 | R242-S287 WeakPolarHBondContact CB-OG 3.35Å; R242-S287 WeakPolarHBondContact CD-OG 3.44Å; S287-T299 WeakPolarHBondContact O-CA 3.48Å; S287-Y300 PolarHBondContact N-O 2.9Å; S287-Y300 PolarHBondContact O-N 2.89Å |
| 288 | C | 75.7 | Confident | 71 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.6 | 166.8 | 66.7 | 0 | 0 | 0 | 0 | 108.6 | R242 E244 I257 P259 V264 L297 L298 T299 | R242-C288 PolarHBondContact O-N 2.99Å; R242-C288 PolarHBondContact O-SG 3.13Å; E244-C288 WeakPolarHBondContact CG-O 3.29Å; I257-C288 HydrophobicContact CG2-CB 4.48Å; P259-C288 HydrophobicContact CG-CB 4.5Å; V264-C288 HydrophobicContact CG2-CB 4.24Å; C288-L297 HydrophobicContact CB-CD1 4.04Å; C288-L298 CarbonylContact C-O 3.59Å; C288-L298 VanDerWaalsContact CA-O 3.27Å; C288-L298 WeakPolarHBondContact CA-O 3.48Å; C288-T299 HydrophobicContact CB-CG2 4.32Å |
| 289 | I | 74.2 | Confident | 70.7 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.1 | 178.7 | -57.4 | -177.1 | 0 | 0 | 0 | 108.7 | I43 L45 R291 L298 | I43-I289 HydrophobicContact CD1-CD1 3.79Å; I43-I289 HydrophobicContact CG1-CD1 3.81Å; L45-I289 HydrophobicContact CD1-CG2 4.39Å; I289-R291 PolarHBondContact O-N 3.12Å; I289-L298 HydrophobicContact CB-CB 4.15Å; I289-L298 HydrophobicContact CB-CD1 4.33Å; I289-L298 HydrophobicContact CG2-CD1 4.46Å; I289-L298 PolarHBondContact N-O 2.96Å; I289-L298 PolarHBondContact O-N 2.84Å |
| 290 | L | 76.4 | Confident | 70.2 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110.4 | 177.3 | 179.2 | 71.6 | 0 | 0 | 0 | 110.4 | E244 F246 R292 Q296 L297 L310 | E244-L290 HydrophobicContact CB-CB 4.34Å; E244-L290 HydrophobicContact CG-CB 4.33Å; F246-L290 HydrophobicContact CB-CD2 4.16Å; F246-L290 HydrophobicContact CD2-CD2 3.58Å; F246-L290 HydrophobicContact CE2-CD2 4.47Å; F246-L290 HydrophobicContact CG-CD2 4.34Å; L290-R292 HydrophobicContact CD2-CG 3.76Å; L290-R292 HydrophobicContact CG-CG 4.04Å; L290-R292 PolarHBondContact O-N 3.49Å; L290-R292 VanDerWaalsContact O-N 3.13Å; L290-Q296 CarbonylContact C-O 3.55Å; L290-Q296 WeakPolarHBondContact CA-O 3.27Å; L290-L297 HydrophobicContact CB-CD1 4.45Å; L290-L310 HydrophobicContact CD1-CD1 3.42Å; L290-L310 VanDerWaalsContact CD1-CD1 3.42Å |
| 291 | R | 72.8 | Confident | 70.2 | Confident | 79 Ų | 79 | 47.2 Ų | 47.2 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 82.4 | 169.5 | -59.7 | -178.8 | 79.2 | -158.2 | 12.6 | 109.9 | I289 K293 F294 N295 Q296 L298 | I289-R291 PolarHBondContact O-N 3.12Å; R291-K293 PolarHBondContact O-N 2.96Å; R291-K293 VanDerWaalsContact O-N 3.1Å; R291-F294 HydrophobicContact CB-CD2 4.17Å; R291-F294 VanDerWaalsContact CZ-CE2 3.43Å; R291-F294 CarbonylContact O-C 3.49Å; R291-F294 PolarHBondContact O-N 3.22Å; R291-N295 PolarHBondContact O-N 3.16Å; R291-Q296 HydrophobicContact CB-CB 4.22Å; R291-Q296 PolarHBondContact N-O 2.83Å; R291-Q296 PolarHBondContact O-N 2.77Å; R291-L298 HydrophobicContact CG-CD1 3.9Å; R291-L298 HydrophobicContact CG-CG 4.05Å |
| 292 | R | 69.3 | Low | 70 | Confident | 106 Ų | 106 | 44.5 Ų | 44.5 | 40% | 0.4 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -49.3 | -39.7 | -177.1 | -67.6 | -175.7 | -178.3 | 174.1 | 2.4 | 113.8 | I245 E247 L290 F294 N295 | I245-R292 PolarHBondContact O-NH2 3.33Å; E247-R292 IonicContact OE1-CZ 3.92Å; E247-R292 IonicContact OE1-NH2 2.63Å; E247-R292 PolarHBondContact OE1-NH2 3.16Å; L290-R292 HydrophobicContact CD2-CG 3.76Å; L290-R292 HydrophobicContact CG-CG 4.04Å; L290-R292 PolarHBondContact O-N 3.49Å; L290-R292 VanDerWaalsContact O-N 3.13Å; R292-F294 PolarHBondContact O-N 2.78Å; R292-F294 VanDerWaalsContact O-N 3.16Å; R292-N295 PolarHBondContact O-N 2.92Å; R292-N295 PolarHBondContact O-OD1 3.26Å |
| 293 | K | 67.5 | Low | 70 | Confident | 179 Ų | 179 | 41.9 Ų | 41.9 | 78% | 0.778 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -58.4 | -29 | 179.2 | -175.6 | 175.1 | 177.7 | -178.6 | 0 | 113.3 | R291 | R291-K293 PolarHBondContact O-N 2.96Å; R291-K293 VanDerWaalsContact O-N 3.1Å |
| 294 | F | 65.8 | Low | 69.5 | Low | 95 Ų | 95 | 42.1 Ų | 42.1 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -115.3 | -1.1 | -175.4 | -54.6 | -72.3 | 0 | 0 | 0 | 112.8 | R291 R292 Q296 | R291-F294 HydrophobicContact CB-CD2 4.17Å; R291-F294 VanDerWaalsContact CZ-CE2 3.43Å; R291-F294 CarbonylContact O-C 3.49Å; R291-F294 PolarHBondContact O-N 3.22Å; R292-F294 PolarHBondContact O-N 2.78Å; R292-F294 VanDerWaalsContact O-N 3.16Å; F294-Q296 HydrophobicContact CB-CB 4.36Å; F294-Q296 HydrophobicContact CB-CG 3.92Å; F294-Q296 PolarHBondContact O-N 2.9Å |
| 295 | N | 68.7 | Low | 68.8 | Low | 40 Ų | 40 | 42.3 Ų | 42.3 | 21% | 0.214 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.1 | -170.2 | -65.6 | -28.7 | 0 | 0 | 0 | 113.3 | L17 R291 R292 L310 | L17-N295 WeakPolarHBondContact CD1-ND2 3.08Å; R291-N295 PolarHBondContact O-N 3.16Å; R292-N295 PolarHBondContact O-N 2.92Å; R292-N295 PolarHBondContact O-OD1 3.26Å; N295-L310 PolarHBondContact O-N 3Å |
| 296 | Q | 68.2 | Low | 68 | Low | 40 Ų | 40 | 43.7 Ų | 43.7 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 140.3 | 179.6 | -73 | 177.6 | -30.4 | 0 | 0 | 110.6 | L290 R291 F294 I307 D309 | L290-Q296 CarbonylContact C-O 3.55Å; L290-Q296 WeakPolarHBondContact CA-O 3.27Å; R291-Q296 HydrophobicContact CB-CB 4.22Å; R291-Q296 PolarHBondContact N-O 2.83Å; R291-Q296 PolarHBondContact O-N 2.77Å; F294-Q296 HydrophobicContact CB-CB 4.36Å; F294-Q296 HydrophobicContact CB-CG 3.92Å; F294-Q296 PolarHBondContact O-N 2.9Å; Q296-I307 HydrophobicContact CB-CG2 4.46Å; Q296-I307 HydrophobicContact CG-CG2 4.47Å; Q296-D309 VanDerWaalsContact CG-OD1 3.28Å; Q296-D309 WeakPolarHBondContact CG-OD1 3.29Å; Q296-D309 PolarHBondContact NE2-OD1 2.66Å |
| 297 | L | 71.7 | Confident | 67.2 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 106.8 | 167.1 | -173 | 70.5 | 0 | 0 | 0 | 108.4 | I257 V264 C288 L290 T299 S308 L310 | I257-L297 HydrophobicContact CD1-CD1 4.45Å; I257-L297 HydrophobicContact CG2-CD1 4Å; I257-L297 HydrophobicContact CG2-CD2 4.14Å; V264-L297 HydrophobicContact CB-CD2 4.37Å; V264-L297 HydrophobicContact CG1-CD2 4.01Å; V264-L297 HydrophobicContact CG2-CD2 4.33Å; C288-L297 HydrophobicContact CB-CD1 4.04Å; L290-L297 HydrophobicContact CB-CD1 4.45Å; L297-T299 HydrophobicContact CD2-CG2 3.8Å; L297-T299 HydrophobicContact CG-CG2 3.72Å; L297-S308 PolarHBondContact N-O 2.94Å; L297-S308 PolarHBondContact O-N 2.81Å; L297-S308 PolarHBondContact O-OG 2.81Å; L297-L310 HydrophobicContact CB-CD1 3.76Å; L297-L310 HydrophobicContact CB-CD2 4.3Å; L297-L310 HydrophobicContact CB-CG 3.73Å; L297-L310 HydrophobicContact CD2-CD2 4.4Å |
| 298 | L | 71.2 | Confident | 66.3 | Low | 17 Ų | 17 | 45.1 Ų | 45.1 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 132.3 | 166.1 | -56.5 | 175.2 | 0 | 0 | 0 | 107.6 | L45 C288 I289 R291 I307 | L45-L298 HydrophobicContact CD1-CD1 4.45Å; C288-L298 CarbonylContact C-O 3.59Å; C288-L298 VanDerWaalsContact CA-O 3.27Å; C288-L298 WeakPolarHBondContact CA-O 3.48Å; I289-L298 HydrophobicContact CB-CB 4.15Å; I289-L298 HydrophobicContact CB-CD1 4.33Å; I289-L298 HydrophobicContact CG2-CD1 4.46Å; I289-L298 PolarHBondContact N-O 2.96Å; I289-L298 PolarHBondContact O-N 2.84Å; R291-L298 HydrophobicContact CG-CD1 3.9Å; R291-L298 HydrophobicContact CG-CG 4.05Å; L298-I307 HydrophobicContact CD2-CB 4.17Å; L298-I307 HydrophobicContact CD2-CD1 3.83Å; L298-I307 HydrophobicContact CD2-CG1 3.56Å; L298-I307 HydrophobicContact CD2-CG2 3.95Å |
| 299 | T | 71 | Confident | 65.3 | Low | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.9 | 177 | 59.8 | 0 | 0 | 0 | 0 | 108.8 | V264 I280 S287 C288 L297 C306 | V264-T299 HydrophobicContact CG2-CG2 3.93Å; I280-T299 HydrophobicContact CD1-CG2 3.49Å; I280-T299 VanDerWaalsContact CD1-CG2 3.49Å; S287-T299 WeakPolarHBondContact O-CA 3.48Å; C288-T299 HydrophobicContact CB-CG2 4.32Å; L297-T299 HydrophobicContact CD2-CG2 3.8Å; L297-T299 HydrophobicContact CG-CG2 3.72Å; T299-C306 PolarHBondContact N-O 2.72Å; T299-C306 PolarHBondContact O-N 2.95Å; T299-C306 VanDerWaalsContact O-O 3.08Å; T299-C306 PolarHBondContact OG1-O 2.85Å |
| 300 | Y | 70.2 | Confident | 64.3 | Low | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135.7 | -178.8 | 168.9 | -112.3 | 0 | 0 | 0 | 109.5 | F38 F41 V285 Q286 S287 | F38-Y300 PolarHBondContact O-OH 2.78Å; F41-Y300 HydrophobicContact CD1-CE1 4.26Å; F41-Y300 AromaticContact CD1-CE2 3.96Å; F41-Y300 HydrophobicContact CD1-CE2 3.96Å; F41-Y300 AromaticContact CD1-CZ 3.58Å; F41-Y300 VanDerWaalsContact CD1-OH 3.25Å; F41-Y300 WeakPolarHBondContact CD1-OH 3.33Å; F41-Y300 AromaticContact CE1-CD2 3.89Å; F41-Y300 HydrophobicContact CE1-CD2 3.89Å; F41-Y300 HydrophobicContact CE1-CE1 4.07Å; F41-Y300 AromaticContact CE1-CE2 3.04Å; F41-Y300 HydrophobicContact CE1-CE2 3.04Å; F41-Y300 AromaticContact CE1-CZ 3.15Å; F41-Y300 WeakPolarHBondContact CE1-OH 3.34Å; F41-Y300 HydrophobicContact CE2-CD2 4.19Å; F41-Y300 HydrophobicContact CE2-CE2 4.1Å; F41-Y300 HydrophobicContact CE2-CG 4.49Å; F41-Y300 HydrophobicContact CZ-CD1 4.49Å; F41-Y300 AromaticContact CZ-CD2 3.45Å; F41-Y300 HydrophobicContact CZ-CD2 3.45Å; F41-Y300 VanDerWaalsContact CZ-CD2 3.45Å; F41-Y300 HydrophobicContact CZ-CE1 4.2Å; F41-Y300 AromaticContact CZ-CE2 3.13Å; F41-Y300 HydrophobicContact CZ-CE2 3.13Å; F41-Y300 HydrophobicContact CZ-CG 4.16Å; F41-Y300 AromaticContact CZ-CZ 3.56Å; F41-Y300 VanDerWaalsContact O-CE1 3.26Å; F41-Y300 WeakPolarHBondContact O-CE1 3.36Å; V285-Y300 CarbonylContact C-O 3.54Å; V285-Y300 WeakPolarHBondContact CA-O 3.21Å; V285-Y300 WeakPolarHBondContact CG1-O 3.27Å; Q286-Y300 HydrophobicContact CB-CD1 4.04Å; Q286-Y300 HydrophobicContact CB-CE1 4.28Å; Q286-Y300 PolarHBondContact N-O 2.76Å; S287-Y300 PolarHBondContact N-O 2.9Å; S287-Y300 PolarHBondContact O-N 2.89Å |
| 301 | S | 69.1 | Low | 62.8 | Low | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 160.7 | 178.2 | 62.1 | 0 | 0 | 0 | 0 | 109.2 | Y284 E303 C304 | Y284-S301 WeakPolarHBondContact O-CA 3.41Å; Y284-S301 WeakPolarHBondContact O-CB 3.49Å; S301-E303 PolarHBondContact O-N 2.7Å; S301-C304 PolarHBondContact N-O 3.1Å; S301-C304 CarbonylContact O-C 3.58Å; S301-C304 PolarHBondContact O-N 3.25Å; S301-C304 PolarHBondContact OG-N 2.81Å; S301-C304 PolarHBondContact OG-O 3.18Å; S301-C304 PolarHBondContact OG-SG 3.12Å |
| 302 | Y | 63.5 | Low | 61.3 | Low | 69 Ų | 69 | 51 Ų | 51 | 27% | 0.271 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -30.7 | 177.5 | -80.5 | -81.8 | 0 | 0 | 0 | 114.2 | E40 Q286 | E40-Y302 HydrophobicContact CG-CE1 3.71Å; E40-Y302 PolarHBondContact OE1-OH 2.78Å; Q286-Y302 HydrophobicContact CG-CD2 4.39Å; Q286-Y302 HydrophobicContact CG-CE2 4.19Å; Q286-Y302 PolarHBondContact NE2-OH 2.62Å; Q286-Y302 VanDerWaalsContact NE2-OH 3.11Å |
| 303 | E | 61.4 | Low | 60.2 | Low | 134 Ų | 134 | 49.4 Ų | 49.4 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -18.5 | -175.5 | -64.2 | 172.6 | 170.5 | 0 | 0 | 113.5 | S283 S301 | S283-E303 WeakPolarHBondContact CB-OE2 3.38Å; S283-E303 VanDerWaalsContact OG-CD 3.24Å; S283-E303 PolarHBondContact OG-OE2 3.28Å; S301-E303 PolarHBondContact O-N 2.7Å |
| 304 | C | 56.6 | Low | 59.4 | Low | 16 Ų | 16 | 41.5 Ų | 41.5 | 11% | 0.108 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.6 | 159.3 | -174.4 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | R281 S301 | R281-C304 WeakPolarHBondContact CD-SG 3.49Å; R281-C304 PolarHBondContact NE-SG 2.94Å; R281-C304 PolarHBondContact NH1-SG 2.74Å; S301-C304 PolarHBondContact N-O 3.1Å; S301-C304 CarbonylContact O-C 3.58Å; S301-C304 PolarHBondContact O-N 3.25Å; S301-C304 PolarHBondContact OG-N 2.81Å; S301-C304 PolarHBondContact OG-O 3.18Å; S301-C304 PolarHBondContact OG-SG 3.12Å |
| 305 | T | 56.9 | Low | 58.6 | Low | 44 Ų | 44 | 39.5 Ų | 39.5 | 27% | 0.27 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128 | 157.2 | -55.7 | 0 | 0 | 0 | 0 | 109 | ||
| 306 | C | 54.9 | Low | 57.4 | Low | 33 Ų | 33 | 41 Ų | 41 | 22% | 0.223 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.1 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | I280 T299 | I280-C306 HydrophobicContact CG2-CB 4.04Å; T299-C306 PolarHBondContact N-O 2.72Å; T299-C306 PolarHBondContact O-N 2.95Å; T299-C306 VanDerWaalsContact O-O 3.08Å; T299-C306 PolarHBondContact OG1-O 2.85Å |
| 307 | I | 53.4 | Low | 56.4 | Low | 51 Ų | 51 | 44.8 Ų | 44.8 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 111.1 | 168.3 | -50.3 | -171.7 | 0 | 0 | 0 | 106.8 | L31 Q296 L298 | L31-I307 HydrophobicContact CD1-CD1 4.01Å; L31-I307 HydrophobicContact CG-CD1 4.35Å; Q296-I307 HydrophobicContact CB-CG2 4.46Å; Q296-I307 HydrophobicContact CG-CG2 4.47Å; L298-I307 HydrophobicContact CD2-CB 4.17Å; L298-I307 HydrophobicContact CD2-CD1 3.83Å; L298-I307 HydrophobicContact CD2-CG1 3.56Å; L298-I307 HydrophobicContact CD2-CG2 3.95Å |
| 308 | S | 54.6 | Low | 55.2 | Low | 13 Ų | 13 | 46.8 Ų | 46.8 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.6 | 169.3 | 58.2 | 0 | 0 | 0 | 0 | 108.2 | L297 L310 | L297-S308 PolarHBondContact N-O 2.94Å; L297-S308 PolarHBondContact O-N 2.81Å; L297-S308 PolarHBondContact O-OG 2.81Å; S308-L310 PolarHBondContact O-N 3.25Å |
| 309 | D | 54.1 | Low | 53.7 | Low | 81 Ų | 81 | 54.9 Ų | 54.9 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 125 | 159.5 | -74.9 | -23.8 | 0 | 0 | 0 | 105.9 | Q296 G311 | Q296-D309 VanDerWaalsContact CG-OD1 3.28Å; Q296-D309 WeakPolarHBondContact CG-OD1 3.29Å; Q296-D309 PolarHBondContact NE2-OD1 2.66Å; D309-G311 PolarHBondContact O-N 2.82Å |
| 310 | L | 53.5 | Low | 52.8 | Low | 19 Ų | 19 | 57.5 Ų | 57.5 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | trans | -69.9 | 78.5 | 166.6 | -79.7 | 160.4 | 0 | 0 | 0 | 105.7 | L290 N295 L297 S308 V314 | L290-L310 HydrophobicContact CD1-CD1 3.42Å; L290-L310 VanDerWaalsContact CD1-CD1 3.42Å; N295-L310 PolarHBondContact O-N 3Å; L297-L310 HydrophobicContact CB-CD1 3.76Å; L297-L310 HydrophobicContact CB-CD2 4.3Å; L297-L310 HydrophobicContact CB-CG 3.73Å; L297-L310 HydrophobicContact CD2-CD2 4.4Å; S308-L310 PolarHBondContact O-N 3.25Å; L310-V314 HydrophobicContact CD2-CB 3.93Å; L310-V314 HydrophobicContact CD2-CG1 3.82Å; L310-V314 HydrophobicContact CD2-CG2 3.92Å | ||
| 311 | G | 44.5 | Very low | 51.9 | Low | 31 Ų | 31 | 60.3 Ų | 60.3 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | trans | -54.8 | 166.3 | -179 | 0 | 0 | 0 | 0 | 0 | 110.1 | D309 S313 V314 | D309-G311 PolarHBondContact O-N 2.82Å; G311-S313 PolarHBondContact O-N 3.13Å; G311-V314 PolarHBondContact O-N 3.2Å | ||
| 312 | T | 42.3 | Very low | 50.9 | Low | 94 Ų | 94 | 63.5 Ų | 63.5 | 58% | 0.577 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -50.1 | -21.6 | 177 | 48.3 | 0 | 0 | 0 | 0 | 113 | V314 S316 | T312-V314 PolarHBondContact O-N 3.37Å; T312-S316 WeakPolarHBondContact O-CA 3.5Å; T312-S316 WeakPolarHBondContact O-CB 3.37Å; T312-S316 PolarHBondContact O-N 2.9Å; T312-S316 PolarHBondContact O-OG 2.75Å |
| 313 | S | 45 | Very low | 50.2 | Low | 72 Ų | 72 | 63.2 Ų | 63.2 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 178.1 | 70 | 0 | 0 | 0 | 0 | 114.7 | G311 S316 K317 | G311-S313 PolarHBondContact O-N 3.13Å; S313-S316 WeakPolarHBondContact CA-OG 3.43Å; S313-S316 PolarHBondContact O-OG 2.61Å; S313-K317 WeakPolarHBondContact O-CG 3.42Å |
| 314 | V | 50 | Low | 49.5 | Very low | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -80.4 | -47.8 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | I266 L310 G311 T312 S316 K317 I318 | I266-V314 HydrophobicContact CD1-CG1 3.36Å; I266-V314 HydrophobicContact CD1-CG2 4.48Å; L310-V314 HydrophobicContact CD2-CB 3.93Å; L310-V314 HydrophobicContact CD2-CG1 3.82Å; L310-V314 HydrophobicContact CD2-CG2 3.92Å; G311-V314 PolarHBondContact O-N 3.2Å; T312-V314 PolarHBondContact O-N 3.37Å; V314-S316 VanDerWaalsContact C-N 3.33Å; V314-S316 PolarHBondContact O-N 3.25Å; V314-K317 PolarHBondContact O-N 3.07Å; V314-I318 HydrophobicContact CG1-CD1 4Å; V314-I318 VanDerWaalsContact O-CD1 3.25Å; V314-I318 WeakPolarHBondContact O-CD1 3.28Å; V314-I318 VanDerWaalsContact O-CG1 3.26Å; V314-I318 WeakPolarHBondContact O-CG1 3.47Å |
| 315 | L | 50.5 | Low | 49 | Very low | 53 Ų | 53 | 61.6 Ų | 61.6 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -32 | 178.3 | -65.1 | 175 | 0 | 0 | 0 | 113.3 | F246 I318 | F246-L315 HydrophobicContact CZ-CD2 4.42Å; L315-I318 HydrophobicContact CD2-CD1 4.1Å; L315-I318 WeakPolarHBondContact O-CB 3.39Å; L315-I318 PolarHBondContact O-N 3.16Å |
| 316 | S | 43.4 | Very low | 48.5 | Very low | 71 Ų | 71 | 62.9 Ų | 62.9 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -74.6 | -22.4 | 176.7 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | T312 S313 V314 I318 | T312-S316 WeakPolarHBondContact O-CA 3.5Å; T312-S316 WeakPolarHBondContact O-CB 3.37Å; T312-S316 PolarHBondContact O-N 2.9Å; T312-S316 PolarHBondContact O-OG 2.75Å; S313-S316 WeakPolarHBondContact CA-OG 3.43Å; S313-S316 PolarHBondContact O-OG 2.61Å; V314-S316 VanDerWaalsContact C-N 3.33Å; V314-S316 PolarHBondContact O-N 3.25Å; S316-I318 VanDerWaalsContact C-N 3.26Å |
| 317 | K | 45.9 | Very low | 48 | Very low | 120 Ų | 120 | 65.2 Ų | 65.2 | 52% | 0.522 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8.5 | 172 | -71.8 | 177.5 | -179.4 | -178.1 | 0 | 113 | S313 V314 | S313-K317 WeakPolarHBondContact O-CG 3.42Å; V314-K317 PolarHBondContact O-N 3.07Å |
| 318 | I | 48.2 | Very low | 47.5 | Very low | 42 Ų | 42 | 66.3 Ų | 66.3 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -18.7 | -179.2 | -65.5 | 162.1 | 0 | 0 | 0 | 111.1 | L255 V314 L315 S316 | L255-I318 HydrophobicContact CD1-CB 4.43Å; L255-I318 HydrophobicContact CD1-CD1 3.11Å; L255-I318 HydrophobicContact CD1-CG1 3.5Å; L255-I318 VanDerWaalsContact CD1-CG1 3.5Å; L255-I318 HydrophobicContact CD1-CG2 4.02Å; V314-I318 HydrophobicContact CG1-CD1 4Å; V314-I318 VanDerWaalsContact O-CD1 3.25Å; V314-I318 WeakPolarHBondContact O-CD1 3.28Å; V314-I318 VanDerWaalsContact O-CG1 3.26Å; V314-I318 WeakPolarHBondContact O-CG1 3.47Å; L315-I318 HydrophobicContact CD2-CD1 4.1Å; L315-I318 WeakPolarHBondContact O-CB 3.39Å; L315-I318 PolarHBondContact O-N 3.16Å; S316-I318 VanDerWaalsContact C-N 3.26Å |
| 319 | H | 38.2 | Very low | 46.9 | Very low | 187 Ų | 187 | 71.2 Ų | 71.2 | 87% | 0.866 | 40% | 0.399 | S | S | * | . | trans | -101.4 | 0 | 170.5 | -65.7 | -55.8 | 0 | 0 | 0 | 112 |
Retrieved 319 of 319 residues in 134.3 ms
(Link to these results)