| 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 | 42.1 | Very low | 38.1 | Very low | 239 Ų | 239 | 112.5 Ų | 112.5 | 100% | 1.177 | 65% | 0.645 | S | S | * | * | 0 | 132.9 | 0 | -72.3 | 157.3 | 169.9 | 0 | 0 | 107.4 | |||||
| 2 | G | 37.8 | Very low | 38 | Very low | 41 Ų | 41 | 113 Ų | 113 | 42% | 0.423 | 64% | 0.643 | S | S | . | * | trans | -84.9 | 164.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E4 A5 | G2-E4 PolarHBondContact O-N 2.77Å; G2-A5 WeakPolarHBondContact O-CB 3.07Å; G2-A5 PolarHBondContact O-N 2.88Å; G2-A5 VanDerWaalsContact O-N 3.08Å | ||
| 3 | P | 39.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 113.2 Ų | 113.2 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.8 | -28.9 | -178.1 | 24.5 | -33.9 | 0 | 0 | 0 | 113.7 | A5 L6 S7 | P3-A5 PolarHBondContact O-N 3.02Å; P3-L6 PolarHBondContact O-N 3.34Å; P3-L6 VanDerWaalsContact O-N 3.1Å; P3-S7 PolarHBondContact O-N 3.29Å |
| 4 | E | 37.4 | Very low | 37.3 | Very low | 160 Ų | 160 | 114.6 Ų | 114.6 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.1 | -27 | 175.3 | -60.2 | -174.6 | 146.4 | 0 | 0 | 113.3 | G2 S7 S8 | G2-E4 PolarHBondContact O-N 2.77Å; E4-S7 PolarHBondContact O-N 3.26Å; E4-S8 WeakPolarHBondContact O-CB 3.47Å; E4-S8 PolarHBondContact O-N 3.26Å; E4-S8 PolarHBondContact O-OG 3.18Å |
| 5 | A | 37.1 | Very low | 37.4 | Very low | 53 Ų | 53 | 112.6 Ų | 112.6 | 44% | 0.438 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.4 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | G2 P3 L9 | G2-A5 WeakPolarHBondContact O-CB 3.07Å; G2-A5 PolarHBondContact O-N 2.88Å; G2-A5 VanDerWaalsContact O-N 3.08Å; P3-A5 PolarHBondContact O-N 3.02Å; A5-L9 WeakPolarHBondContact O-CB 3.29Å; A5-L9 PolarHBondContact O-N 2.8Å |
| 6 | L | 37.6 | Very low | 37 | Very low | 129 Ų | 129 | 110.5 Ų | 110.5 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.4 | -41.9 | 172.9 | -94.5 | 85.2 | 0 | 0 | 0 | 111.4 | P3 S8 L9 L10 | P3-L6 PolarHBondContact O-N 3.34Å; P3-L6 VanDerWaalsContact O-N 3.1Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 2.74Å; L6-L9 PolarHBondContact O-N 2.89Å; L6-L10 WeakPolarHBondContact O-CB 3.18Å; L6-L10 PolarHBondContact O-N 3.36Å |
| 7 | S | 37.9 | Very low | 36.6 | Very low | 84 Ų | 84 | 107.2 Ų | 107.2 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59.4 | -45.2 | 177.3 | -166.2 | 0 | 0 | 0 | 0 | 111.5 | P3 E4 L10 L11 | P3-S7 PolarHBondContact O-N 3.29Å; E4-S7 PolarHBondContact O-N 3.26Å; S7-L10 PolarHBondContact O-N 3.22Å; S7-L11 PolarHBondContact O-N 3.1Å; S7-L11 VanDerWaalsContact O-N 3.08Å |
| 8 | S | 38.6 | Very low | 36.5 | Very low | 69 Ų | 69 | 105.1 Ų | 105.1 | 48% | 0.483 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.4 | -40.5 | 175 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | E4 L6 L11 L12 | E4-S8 WeakPolarHBondContact O-CB 3.47Å; E4-S8 PolarHBondContact O-N 3.26Å; E4-S8 PolarHBondContact O-OG 3.18Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 2.74Å; S8-L11 PolarHBondContact O-N 2.97Å; S8-L12 WeakPolarHBondContact O-CD1 3.48Å; S8-L12 PolarHBondContact O-N 3.21Å |
| 9 | L | 35.1 | Very low | 36.4 | Very low | 111 Ų | 111 | 107.9 Ų | 107.9 | 58% | 0.581 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.3 | -37.5 | 179.5 | -155.8 | 75.3 | 0 | 0 | 0 | 112.1 | A5 L6 L11 L12 L13 | A5-L9 WeakPolarHBondContact O-CB 3.29Å; A5-L9 PolarHBondContact O-N 2.8Å; L6-L9 PolarHBondContact O-N 2.89Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L12 PolarHBondContact O-N 3.14Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.32Å |
| 10 | L | 36.3 | Very low | 36.6 | Very low | 117 Ų | 117 | 105 Ų | 105 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.5 | -36.6 | 174.7 | -145.3 | 77 | 0 | 0 | 0 | 111.4 | L6 S7 L13 L14 | L6-L10 WeakPolarHBondContact O-CB 3.18Å; L6-L10 PolarHBondContact O-N 3.36Å; S7-L10 PolarHBondContact O-N 3.22Å; L10-L13 PolarHBondContact O-N 2.89Å; L10-L14 PolarHBondContact O-N 2.88Å |
| 11 | L | 39.8 | Very low | 37.4 | Very low | 121 Ų | 121 | 106 Ų | 106 | 63% | 0.634 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.7 | -40.5 | 175.7 | -146.4 | 75.1 | 0 | 0 | 0 | 112.1 | S7 S8 L9 L14 V15 | S7-L11 PolarHBondContact O-N 3.1Å; S7-L11 VanDerWaalsContact O-N 3.08Å; S8-L11 PolarHBondContact O-N 2.97Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L11-L14 PolarHBondContact O-N 2.86Å; L11-V15 PolarHBondContact O-N 2.87Å |
| 12 | L | 36.3 | Very low | 38.1 | Very low | 119 Ų | 119 | 95.2 Ų | 95.2 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -40.8 | 172.4 | -95.5 | 81.4 | 0 | 0 | 0 | 112.2 | S8 L9 L14 V15 A16 | S8-L12 WeakPolarHBondContact O-CD1 3.48Å; S8-L12 PolarHBondContact O-N 3.21Å; L9-L12 PolarHBondContact O-N 3.14Å; L12-L14 PolarHBondContact O-N 3.05Å; L12-V15 PolarHBondContact O-N 2.86Å; L12-A16 VanDerWaalsContact O-CB 3.24Å; L12-A16 WeakPolarHBondContact O-CB 3.14Å; L12-A16 PolarHBondContact O-N 3.46Å |
| 13 | L | 29.6 | Very low | 38.9 | Very low | 116 Ų | 116 | 102.2 Ų | 102.2 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.6 | -26.4 | 178.6 | -82.1 | 161.9 | 0 | 0 | 0 | 113.3 | L9 L10 | L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 2.89Å |
| 14 | L | 37.1 | Very low | 39.5 | Very low | 132 Ų | 132 | 97.9 Ų | 97.9 | 69% | 0.691 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -77.7 | -23.3 | 172.3 | -78.5 | 163.5 | 0 | 0 | 0 | 113.9 | L10 L11 L12 | L10-L14 PolarHBondContact O-N 2.88Å; L11-L14 PolarHBondContact O-N 2.86Å; L12-L14 PolarHBondContact O-N 3.05Å |
| 15 | V | 39.3 | Very low | 40.8 | Very low | 85 Ų | 85 | 92.5 Ų | 92.5 | 52% | 0.515 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -92.4 | -26 | 177.5 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | L11 L12 R332 | L11-V15 PolarHBondContact O-N 2.87Å; L12-V15 PolarHBondContact O-N 2.86Å; V15-R332 PolarHBondContact O-NH2 2.77Å |
| 16 | A | 30 | Very low | 42.3 | Very low | 79 Ų | 79 | 91.4 Ų | 91.4 | 65% | 0.653 | 53% | 0.531 | S | S | * | . | trans | -90.4 | 14.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L12 G18 | L12-A16 VanDerWaalsContact O-CB 3.24Å; L12-A16 WeakPolarHBondContact O-CB 3.14Å; L12-A16 PolarHBondContact O-N 3.46Å; A16-G18 PolarHBondContact O-N 2.83Å | ||
| 17 | S | 31.4 | Very low | 44 | Very low | 55 Ų | 55 | 87.8 Ų | 87.8 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | trans | -73.9 | 108.4 | 162.5 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 18 | G | 33.5 | Very low | 45.5 | Very low | 68 Ų | 68 | 85.1 Ų | 85.1 | 70% | 0.701 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 148.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A16 A20 | A16-G18 PolarHBondContact O-N 2.83Å; G18-A20 VanDerWaalsContact C-N 3.27Å; G18-A20 PolarHBondContact O-N 3.07Å |
| 19 | D | 35.4 | Very low | 47 | Very low | 159 Ų | 159 | 85.2 Ų | 85.2 | 85% | 0.85 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.5 | 52.8 | 179.9 | -57.7 | -9.6 | 0 | 0 | 0 | 113.6 | D21 | D19-D21 PolarHBondContact O-N 2.77Š|
| 20 | A | 40.9 | Very low | 49.1 | Very low | 50 Ų | 50 | 86.7 Ų | 86.7 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | trans | -68.7 | 77.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G18 M22 | G18-A20 VanDerWaalsContact C-N 3.27Å; G18-A20 PolarHBondContact O-N 3.07Å; A20-M22 PolarHBondContact O-N 2.75Å | ||
| 21 | D | 51.5 | Low | 51.4 | Low | 127 Ų | 127 | 81.3 Ų | 81.3 | 68% | 0.679 | 47% | 0.472 | S | S | * | . | trans | -45.6 | 137.1 | 177.3 | -167.7 | 9 | 0 | 0 | 0 | 110.5 | D19 K23 | D19-D21 PolarHBondContact O-N 2.77Å; D21-K23 VanDerWaalsContact O-CG 3.31Å; D21-K23 WeakPolarHBondContact O-CG 3.25Å; D21-K23 PolarHBondContact O-N 2.69Å | ||
| 22 | M | 57.8 | Low | 53.8 | Low | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.059 | 45% | 0.448 | C | S | . | . | trans | -77.7 | 94 | -157.2 | -170.8 | 163.9 | 148.4 | 0 | 0 | 109.2 | A20 G24 H25 Q284 H286 A333 E361 S363 | A20-M22 PolarHBondContact O-N 2.75Å; M22-G24 PolarHBondContact O-N 3.01Å; M22-H25 HydrophobicContact CB-CB 3.62Å; M22-H25 HydrophobicContact CE-CB 4.17Å; M22-H25 HydrophobicContact CG-CB 3.6Å; M22-H25 WeakPolarHBondContact O-CB 3.29Å; M22-H25 PolarHBondContact O-N 2.9Å; M22-H25 HydrophobicContact SD-CB 4.16Å; M22-Q284 HydrophobicContact CE-CB 4.32Å; M22-Q284 HydrophobicContact CE-CG 4.38Å; M22-Q284 WeakPolarHBondContact CE-O 3.43Å; M22-Q284 HydrophobicContact CG-CB 4.4Å; M22-Q284 VanDerWaalsContact CG-CD 3.49Å; M22-Q284 HydrophobicContact CG-CG 3.83Å; M22-Q284 HydrophobicContact SD-CG 4.35Å; M22-H286 HydrophobicContact SD-CB 4.19Å; M22-A333 HydrophobicContact CB-CB 4.33Å; M22-A333 HydrophobicContact CG-CB 4.02Å; M22-A333 HydrophobicContact SD-CB 3.81Å; M22-E361 HydrophobicContact CE-CB 4.3Å; M22-E361 HydrophobicContact CE-CG 3.53Å; M22-S363 VanDerWaalsContact CE-OG 3.29Å; M22-S363 WeakPolarHBondContact CE-OG 3.5Å | ||
| 23 | K | 55.2 | Low | 56.5 | Low | 187 Ų | 187 | 76.9 Ų | 76.9 | 81% | 0.813 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.4 | -159.7 | -62.3 | -172.2 | 179.1 | 177.8 | 0 | 116.3 | D21 Q284 I365 | D21-K23 VanDerWaalsContact O-CG 3.31Å; D21-K23 WeakPolarHBondContact O-CG 3.25Å; D21-K23 PolarHBondContact O-N 2.69Å; K23-Q284 VanDerWaalsContact N-OE1 3.17Å; K23-I365 HydrophobicContact CB-CD1 4.18Å |
| 24 | G | 52 | Low | 59.5 | Low | 23 Ų | 23 | 71.6 Ų | 71.6 | 24% | 0.237 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -7.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | M22 S363 | M22-G24 PolarHBondContact O-N 3.01Å; G24-S363 WeakPolarHBondContact O-CB 3.41Å |
| 25 | H | 63.9 | Low | 62.2 | Low | 46 Ų | 46 | 66.4 Ų | 66.4 | 21% | 0.213 | 39% | 0.385 | C | S | . | . | trans | -77.2 | 154.6 | -178.9 | 174.7 | 67.3 | 0 | 0 | 0 | 111.2 | M22 G234 E361 | M22-H25 HydrophobicContact CB-CB 3.62Å; M22-H25 HydrophobicContact CE-CB 4.17Å; M22-H25 HydrophobicContact CG-CB 3.6Å; M22-H25 WeakPolarHBondContact O-CB 3.29Å; M22-H25 PolarHBondContact O-N 2.9Å; M22-H25 HydrophobicContact SD-CB 4.16Å; H25-G234 PolarHBondContact CE1-O 2.7Å; H25-G234 VanDerWaalsContact CE1-O 3.22Å; H25-E361 IonicContact CE1-OE1 3.48Å; H25-E361 IonicContact ND1-OE1 2.76Å; H25-E361 PolarHBondContact ND1-OE1 3.45Å; H25-E361 VanDerWaalsContact ND1-OE1 3.1Å | ||
| 26 | F | 69.8 | Low | 64.7 | Low | 31 Ų | 31 | 62.3 Ų | 62.3 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | trans | -116.6 | 139.8 | 175.5 | 59.5 | -82.5 | 0 | 0 | 0 | 108.7 | P28 L96 W187 D233 G234 E361 | F26-P28 HydrophobicContact CD2-CG 4.4Å; F26-P28 HydrophobicContact CE2-CG 4.28Å; F26-P28 WeakPolarHBondContact O-CD 3.12Å; F26-L96 HydrophobicContact CD2-CD2 3.52Å; F26-L96 HydrophobicContact CE2-CD1 3.93Å; F26-L96 HydrophobicContact CE2-CD2 3.42Å; F26-L96 VanDerWaalsContact CE2-CD2 3.42Å; F26-L96 HydrophobicContact CE2-CG 4.27Å; F26-L96 HydrophobicContact CZ-CD1 4.35Å; F26-W187 HydrophobicContact CD1-CH2 4.3Å; F26-W187 AromaticContact CD1-CZ3 3.82Å; F26-W187 HydrophobicContact CD1-CZ3 3.82Å; F26-W187 AromaticContact CE1-CH2 3.52Å; F26-W187 HydrophobicContact CE1-CH2 3.52Å; F26-W187 AromaticContact CE1-CZ3 3.35Å; F26-W187 HydrophobicContact CE1-CZ3 3.35Å; F26-W187 HydrophobicContact CE2-CZ3 4.18Å; F26-W187 HydrophobicContact CG-CZ3 4.44Å; F26-W187 AromaticContact CZ-CH2 3.84Å; F26-W187 HydrophobicContact CZ-CH2 3.84Å; F26-W187 AromaticContact CZ-CZ3 3.54Å; F26-W187 HydrophobicContact CZ-CZ3 3.54Å; F26-D233 WeakPolarHBondContact CE2-O 3.32Å; F26-D233 VanDerWaalsContact CZ-C 3.48Å; F26-G234 VanDerWaalsContact CE2-CA 3.42Å; F26-G234 VanDerWaalsContact CZ-CA 3.42Å; F26-E361 WeakPolarHBondContact CE1-OE1 3.32Å | ||
| 27 | D | 71.7 | Confident | 67.9 | Low | 52 Ų | 52 | 58.6 Ų | 58.6 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | trans | -97.9 | 113.8 | 177.2 | 174.8 | -21.9 | 0 | 0 | 0 | 108.9 | A29 K30 C31 | D27-A29 PolarHBondContact O-N 3.47Å; D27-A29 VanDerWaalsContact OD1-CA 3.31Å; D27-A29 WeakPolarHBondContact OD1-CA 3.38Å; D27-A29 VanDerWaalsContact OD1-CB 3.22Å; D27-A29 WeakPolarHBondContact OD1-CB 3.38Å; D27-A29 PolarHBondContact OD1-N 2.81Å; D27-K30 HydrophobicContact CB-CB 4.08Å; D27-K30 HydrophobicContact CB-CD 3.97Å; D27-K30 HydrophobicContact CB-CG 4.04Å; D27-K30 PolarHBondContact O-N 2.79Å; D27-K30 PolarHBondContact OD1-N 3.44Å; D27-K30 WeakPolarHBondContact OD2-CD 3.45Å; D27-K30 VanDerWaalsContact OD2-CE 3.25Å; D27-K30 WeakPolarHBondContact OD2-CE 3.4Å; D27-K30 WeakPolarHBondContact OD2-CG 3.35Å; D27-K30 IonicContact OD2-NZ 3.25Å; D27-K30 PolarHBondContact OD2-NZ 3.22Å; D27-C31 VanDerWaalsContact O-CB 3.3Å; D27-C31 WeakPolarHBondContact O-CB 3.41Å; D27-C31 PolarHBondContact O-N 3.45Å | ||
| 28 | P | 69.9 | Low | 70.8 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.6 | 178.6 | -25.8 | 36.1 | 0 | 0 | 0 | 114.5 | F26 R32 G234 | F26-P28 HydrophobicContact CD2-CG 4.4Å; F26-P28 HydrophobicContact CE2-CG 4.28Å; F26-P28 WeakPolarHBondContact O-CD 3.12Å; P28-R32 WeakPolarHBondContact O-CG 3.19Å; P28-G234 WeakPolarHBondContact CD-O 3.42Å |
| 29 | A | 70.5 | Confident | 73.4 | Confident | 71 Ų | 71 | 60 Ų | 60 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -22.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D27 R32 | D27-A29 PolarHBondContact O-N 3.47Å; D27-A29 VanDerWaalsContact OD1-CA 3.31Å; D27-A29 WeakPolarHBondContact OD1-CA 3.38Å; D27-A29 VanDerWaalsContact OD1-CB 3.22Å; D27-A29 WeakPolarHBondContact OD1-CB 3.38Å; D27-A29 PolarHBondContact OD1-N 2.81Å; A29-R32 WeakPolarHBondContact O-CD 3.23Å; A29-R32 WeakPolarHBondContact O-CG 3.16Å |
| 30 | K | 78.7 | Confident | 76.1 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 61% | 0.613 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -27.6 | 171 | -62 | 177.1 | -172.8 | 110.4 | 0 | 112.6 | D27 R32 Y33 | D27-K30 HydrophobicContact CB-CB 4.08Å; D27-K30 HydrophobicContact CB-CD 3.97Å; D27-K30 HydrophobicContact CB-CG 4.04Å; D27-K30 PolarHBondContact O-N 2.79Å; D27-K30 PolarHBondContact OD1-N 3.44Å; D27-K30 WeakPolarHBondContact OD2-CD 3.45Å; D27-K30 VanDerWaalsContact OD2-CE 3.25Å; D27-K30 WeakPolarHBondContact OD2-CE 3.4Å; D27-K30 WeakPolarHBondContact OD2-CG 3.35Å; D27-K30 IonicContact OD2-NZ 3.25Å; D27-K30 PolarHBondContact OD2-NZ 3.22Å; K30-R32 PolarHBondContact O-N 2.89Å; K30-Y33 WeakPolarHBondContact O-CE2 3.34Å |
| 31 | C | 85.6 | Confident | 78.6 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | trans | -77.6 | 58.2 | -179.7 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | D27 L96 G184 C185 | D27-C31 VanDerWaalsContact O-CB 3.3Å; D27-C31 WeakPolarHBondContact O-CB 3.41Å; D27-C31 PolarHBondContact O-N 3.45Å; C31-L96 HydrophobicContact CB-CD2 4.35Å; C31-G184 CarbonylContact C-O 3.6Å; C31-G184 CarbonylContact O-C 3.57Å; C31-G184 WeakPolarHBondContact O-CA 3.27Å; C31-G184 VanDerWaalsContact SG-C 3.57Å; C31-C185 HydrophobicContact CB-CB 4.02Å; C31-C185 WeakPolarHBondContact CB-SG 3.33Å; C31-C185 VanDerWaalsContact SG-CA 3.6Å; C31-C185 WeakPolarHBondContact SG-CB 3.13Å; C31-C185 PolarHBondContact SG-N 3.49Å; C31-C185 CovalentContact SG-SG 2.04Å; C31-C185 PolarHBondContact SG-SG 3.2Å | ||
| 32 | R | 90 | Very high | 80.7 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | trans | -129.8 | 31.3 | -169.3 | -53.9 | -179.6 | 76 | 90.3 | -15.5 | 114 | P28 A29 K30 L99 D154 | P28-R32 WeakPolarHBondContact O-CG 3.19Å; A29-R32 WeakPolarHBondContact O-CD 3.23Å; A29-R32 WeakPolarHBondContact O-CG 3.16Å; K30-R32 PolarHBondContact O-N 2.89Å; R32-L99 HydrophobicContact CB-CD1 4.01Å; R32-L99 HydrophobicContact CG-CD1 3.75Å; R32-L99 VanDerWaalsContact CZ-CD1 3.45Å; R32-D154 IonicContact CZ-OD1 3.71Å; R32-D154 IonicContact NH1-OD1 3.45Å; R32-D154 PolarHBondContact NH1-OD1 3.03Å; R32-D154 VanDerWaalsContact NH2-CG 3.33Å; R32-D154 IonicContact NH2-OD1 3.87Å; R32-D154 PolarHBondContact NH2-OD1 3.1Å; R32-D154 IonicContact NH2-OD2 2.74Å; R32-D154 PolarHBondContact NH2-OD2 2.88Å; R32-D154 VanDerWaalsContact NH2-OD2 3.16Å | ||
| 33 | Y | 91.8 | Very high | 82.5 | Confident | 108 Ų | 108 | 57 Ų | 57 | 42% | 0.424 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 141.9 | 178.6 | -53.4 | -81.9 | 0 | 0 | 0 | 110.7 | K30 L35 Y183 G184 C185 V408 | K30-Y33 WeakPolarHBondContact O-CE2 3.34Å; Y33-L35 PolarHBondContact O-N 3.44Å; Y33-Y183 CarbonylContact O-C 3.54Å; Y33-Y183 VanDerWaalsContact O-CA 3.24Å; Y33-Y183 WeakPolarHBondContact O-CA 3.43Å; Y33-G184 PolarHBondContact N-O 3Å; Y33-G184 PolarHBondContact O-N 3.08Å; Y33-C185 HydrophobicContact CD2-CB 4.29Å; Y33-V408 HydrophobicContact CD1-CG2 4.08Å; Y33-V408 HydrophobicContact CE1-CG2 4.09Å |
| 34 | A | 93.2 | Very high | 84.4 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 130.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E181 Y183 | A34-E181 HydrophobicContact CB-CG 4.1Å; A34-Y183 HydrophobicContact CB-CD1 4.04Å; A34-Y183 HydrophobicContact CB-CE1 3.9Å |
| 35 | L | 93.9 | Very high | 86.6 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | trans | -88.2 | -14.4 | -175.3 | -61.2 | -175.2 | 0 | 0 | 0 | 113.2 | Y33 I42 L91 H95 V97 L182 | Y33-L35 PolarHBondContact O-N 3.44Å; L35-I42 WeakPolarHBondContact O-CG1 3.4Å; L35-L91 HydrophobicContact CB-CD2 4.3Å; L35-L91 HydrophobicContact CD1-CD1 3.95Å; L35-L91 HydrophobicContact CD1-CD2 4.36Å; L35-H95 HydrophobicContact CD1-CB 4.14Å; L35-V97 HydrophobicContact CD1-CG2 4.13Å; L35-L182 HydrophobicContact CB-CB 4.27Å; L35-L182 WeakPolarHBondContact CB-O 3.34Å; L35-L182 HydrophobicContact CD1-CB 4Å; L35-L182 HydrophobicContact CG-CB 4.36Å; L35-L182 WeakPolarHBondContact CG-O 3.41Å; L35-L182 PolarHBondContact N-O 2.91Å | ||
| 36 | G | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 127.5 | 31.4 | 154 | 0 | 0 | 0 | 0 | 0 | 116.5 | D39 R40 T41 I42 E181 | G36-D39 WeakPolarHBondContact CA-OD1 3.31Å; G36-R40 WeakPolarHBondContact O-CA 3.43Å; G36-R40 PolarHBondContact O-N 2.87Å; G36-T41 PolarHBondContact O-N 3.08Å; G36-I42 PolarHBondContact O-N 2.94Å; G36-I42 VanDerWaalsContact O-N 3.09Å; G36-E181 PolarHBondContact N-OE1 3.5Å |
| 37 | M | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -68.3 | -50.4 | 169.4 | -64.1 | -64.5 | -68.9 | 0 | 0 | 110.3 | I42 I47 S62 R63 V89 V180 E181 L182 | M37-I42 HydrophobicContact CG-CD1 4.13Å; M37-I42 HydrophobicContact SD-CD1 3.87Å; M37-I42 HydrophobicContact SD-CG2 4.37Å; M37-I47 HydrophobicContact CE-CD1 3.67Å; M37-I47 HydrophobicContact CE-CG1 4.04Å; M37-I47 HydrophobicContact CE-CG2 4.08Å; M37-I47 HydrophobicContact SD-CD1 3.86Å; M37-I47 HydrophobicContact SD-CG1 4.07Å; M37-S62 WeakPolarHBondContact CE-OG 3.45Å; M37-R63 HydrophobicContact CE-CG 4.43Å; M37-R63 WeakPolarHBondContact O-CB 3.11Å; M37-R63 VanDerWaalsContact O-CD 3.29Å; M37-R63 WeakPolarHBondContact O-CD 3.17Å; M37-R63 WeakPolarHBondContact O-CG 3.46Å; M37-R63 PolarHBondContact O-NH1 3.44Å; M37-V89 HydrophobicContact CE-CG2 3.95Å; M37-V89 HydrophobicContact SD-CB 4.48Å; M37-V89 HydrophobicContact SD-CG1 3.83Å; M37-V89 HydrophobicContact SD-CG2 3.74Å; M37-V180 WeakPolarHBondContact CB-O 3.4Å; M37-V180 HydrophobicContact CE-CG2 3.81Å; M37-V180 HydrophobicContact CG-CG2 4.37Å; M37-V180 WeakPolarHBondContact CG-O 3.31Å; M37-E181 WeakPolarHBondContact CB-OE1 3.48Å; M37-E181 WeakPolarHBondContact CG-OE1 3.36Å; M37-E181 PolarHBondContact N-OE1 2.84Å; M37-E181 PolarHBondContact N-OE2 2.89Å; M37-L182 HydrophobicContact CG-CD1 3.93Å; M37-L182 HydrophobicContact SD-CD1 4.44Å |
| 38 | Q | 92.6 | Very high | 90.8 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -73.1 | -46.5 | -179 | -175.8 | 178.2 | 12.7 | 0 | 0 | 112.5 | R40 L64 E65 E181 | Q38-R40 PolarHBondContact O-N 3.36Å; Q38-L64 HydrophobicContact CB-CB 4.45Å; Q38-L64 WeakPolarHBondContact CG-O 3.28Å; Q38-E65 HydrophobicContact CG-CB 4.4Å; Q38-E181 WeakPolarHBondContact CB-OE2 3.5Å; Q38-E181 PolarHBondContact N-OE2 2.94Å |
| 39 | D | 88.6 | Confident | 92.1 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -77.9 | -6.2 | -177.8 | 79.7 | 6.8 | 0 | 0 | 0 | 114.2 | G36 T41 Q406 | G36-D39 WeakPolarHBondContact CA-OD1 3.31Å; D39-T41 VanDerWaalsContact C-N 3.3Å; D39-T41 VanDerWaalsContact CG-OG1 3.28Å; D39-T41 PolarHBondContact O-N 3.48Å; D39-T41 WeakPolarHBondContact OD1-CB 3.1Å; D39-T41 PolarHBondContact OD1-N 2.93Å; D39-T41 PolarHBondContact OD1-OG1 2.66Å; D39-T41 PolarHBondContact OD2-OG1 2.91Å; D39-Q406 PolarHBondContact OD2-NE2 3.33Å; D39-Q406 VanDerWaalsContact OD2-NE2 3.15Å |
| 40 | R | 91.9 | Very high | 93.4 | Very high | 119 Ų | 119 | 51.2 Ų | 51.2 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 63.4 | 22.6 | -178.2 | -48 | -165 | -169.1 | -137.2 | 2.4 | 115.7 | G36 Q38 I42 D68 | G36-R40 WeakPolarHBondContact O-CA 3.43Å; G36-R40 PolarHBondContact O-N 2.87Å; Q38-R40 PolarHBondContact O-N 3.36Å; R40-I42 PolarHBondContact O-N 2.97Å; R40-D68 IonicContact CZ-OD1 2.73Å; R40-D68 IonicContact CZ-OD2 2.7Å; R40-D68 VanDerWaalsContact CZ-OD2 3.26Å; R40-D68 IonicContact NH1-OD2 2.71Å; R40-D68 PolarHBondContact NH1-OD2 2.99Å; R40-D68 IonicContact NH2-OD1 2.65Å; R40-D68 PolarHBondContact NH2-OD1 2.99Å; R40-D68 IonicContact NH2-OD2 2.65Å; R40-D68 PolarHBondContact NH2-OD2 2.73Å |
| 41 | T | 92.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 45.9 Ų | 45.9 | 61% | 0.607 | 25% | 0.252 | S | S | * | . | trans | -60.9 | -33.7 | 165.7 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | G36 D39 P43 | G36-T41 PolarHBondContact O-N 3.08Å; D39-T41 VanDerWaalsContact C-N 3.3Å; D39-T41 VanDerWaalsContact CG-OG1 3.28Å; D39-T41 PolarHBondContact O-N 3.48Å; D39-T41 WeakPolarHBondContact OD1-CB 3.1Å; D39-T41 PolarHBondContact OD1-N 2.93Å; D39-T41 PolarHBondContact OD1-OG1 2.66Å; D39-T41 PolarHBondContact OD2-OG1 2.91Å; T41-P43 WeakPolarHBondContact O-CD 3.27Å | ||
| 42 | I | 95.7 | Very high | 94.7 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -82.6 | 117.9 | 169.9 | -58.1 | 172.8 | 0 | 0 | 0 | 108.1 | L35 G36 M37 R40 D46 I47 R63 V89 L91 | L35-I42 WeakPolarHBondContact O-CG1 3.4Å; G36-I42 PolarHBondContact O-N 2.94Å; G36-I42 VanDerWaalsContact O-N 3.09Å; M37-I42 HydrophobicContact CG-CD1 4.13Å; M37-I42 HydrophobicContact SD-CD1 3.87Å; M37-I42 HydrophobicContact SD-CG2 4.37Å; R40-I42 PolarHBondContact O-N 2.97Å; I42-D46 HydrophobicContact CG2-CB 4.05Å; I42-I47 HydrophobicContact CG2-CD1 4.2Å; I42-I47 HydrophobicContact CG2-CG1 3.84Å; I42-R63 VanDerWaalsContact O-CZ 3.27Å; I42-R63 PolarHBondContact O-NH1 3.21Å; I42-R63 PolarHBondContact O-NH2 3.42Å; I42-V89 HydrophobicContact CD1-CG1 3.82Å; I42-V89 HydrophobicContact CG2-CG1 4.13Å; I42-L91 HydrophobicContact CD1-CD2 3.69Å |
| 43 | P | 96.4 | Very high | 94.8 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | trans | -78.8 | 162 | -177.9 | 33.3 | -36.4 | 0 | 0 | 0 | 112.7 | T41 S45 D46 | T41-P43 WeakPolarHBondContact O-CD 3.27Å; P43-S45 WeakPolarHBondContact CG-OG 3.33Å; P43-S45 PolarHBondContact O-N 2.05Å; P43-S45 VanDerWaalsContact O-N 3.15Å; P43-D46 HydrophobicContact CG-CB 4.14Å; P43-D46 WeakPolarHBondContact CG-OD2 3.28Å; P43-D46 PolarHBondContact O-N 2.84Å | ||
| 44 | D | 95.8 | Very high | 94.9 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 41% | 0.406 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -61.1 | -22.6 | -179.9 | -75.7 | 13.6 | 0 | 0 | 0 | 113.8 | D46 R60 R63 | D44-D46 PolarHBondContact O-N 2.83Å; D44-R60 HydrophobicContact CB-CB 4.14Å; D44-R60 WeakPolarHBondContact OD2-CB 3.36Å; D44-R63 IonicContact OD1-CZ 2.88Å; D44-R63 IonicContact OD1-NE 3.94Å; D44-R63 PolarHBondContact OD1-NE 3.48Å; D44-R63 IonicContact OD1-NH2 2.75Å; D44-R63 PolarHBondContact OD1-NH2 3.38Å |
| 45 | S | 96.6 | Very high | 94.9 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -64.6 | -25 | 173.9 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | P43 | P43-S45 WeakPolarHBondContact CG-OG 3.33Å; P43-S45 PolarHBondContact O-N 2.05Å; P43-S45 VanDerWaalsContact O-N 3.15Å |
| 46 | D | 97.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -102.4 | -5.1 | -168.4 | -61.7 | 9.6 | 0 | 0 | 0 | 111.1 | I42 P43 D44 D90 Q92 | I42-D46 HydrophobicContact CG2-CB 4.05Å; P43-D46 HydrophobicContact CG-CB 4.14Å; P43-D46 WeakPolarHBondContact CG-OD2 3.28Å; P43-D46 PolarHBondContact O-N 2.84Å; D44-D46 PolarHBondContact O-N 2.83Å; D46-D90 HydrophobicContact CB-CB 4.26Å; D46-D90 PolarHBondContact O-N 2.78Å; D46-Q92 PolarHBondContact OD1-NE2 2.83Å; D46-Q92 VanDerWaalsContact OD2-CG 3.26Å; D46-Q92 WeakPolarHBondContact OD2-CG 3.41Å; D46-Q92 PolarHBondContact OD2-NE2 3.01Å |
| 47 | I | 98.3 | Very high | 95 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 107.4 | 176.5 | -52.9 | 168.4 | 0 | 0 | 0 | 108.1 | M37 I42 A59 S62 R63 L87 Q88 | M37-I47 HydrophobicContact CE-CD1 3.67Å; M37-I47 HydrophobicContact CE-CG1 4.04Å; M37-I47 HydrophobicContact CE-CG2 4.08Å; M37-I47 HydrophobicContact SD-CD1 3.86Å; M37-I47 HydrophobicContact SD-CG1 4.07Å; I42-I47 HydrophobicContact CG2-CD1 4.2Å; I42-I47 HydrophobicContact CG2-CG1 3.84Å; I47-A59 HydrophobicContact CG2-CB 4.18Å; I47-A59 VanDerWaalsContact CG2-O 3.22Å; I47-A59 WeakPolarHBondContact CG2-O 3.36Å; I47-A59 WeakPolarHBondContact O-CB 3.16Å; I47-S62 WeakPolarHBondContact CG2-OG 3.28Å; I47-R63 HydrophobicContact CD1-CG 4.33Å; I47-R63 VanDerWaalsContact CD1-CZ 3.44Å; I47-L87 HydrophobicContact CG2-CD1 4Å; I47-Q88 WeakPolarHBondContact CA-O 3.1Å |
| 48 | S | 98 | Very high | 95 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 167.1 | -174.1 | 47.1 | 0 | 0 | 0 | 0 | 110.9 | Q88 | S48-Q88 PolarHBondContact N-O 3.33Å; S48-Q88 PolarHBondContact O-N 2.84Å; S48-Q88 VanDerWaalsContact O-O 3.11Å; S48-Q88 PolarHBondContact OG-NE2 2.94Å |
| 49 | A | 97.9 | Very high | 95.2 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 163.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | S51 A59 W73 Y86 | A49-S51 VanDerWaalsContact C-N 3.32Å; A49-S51 WeakPolarHBondContact CB-O 3.47Å; A49-A59 HydrophobicContact CB-CB 3.86Å; A49-W73 HydrophobicContact CB-CZ2 3.81Å; A49-W73 VanDerWaalsContact CB-NE1 3.27Å; A49-Y86 CarbonylContact C-O 3.38Å; A49-Y86 VanDerWaalsContact CA-O 3.25Å; A49-Y86 WeakPolarHBondContact CA-O 3.37Å; A49-Y86 WeakPolarHBondContact CB-O 3.33Å |
| 50 | S | 96.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -60 | -40.5 | 169.9 | 47.6 | 0 | 0 | 0 | 0 | 112.9 | E85 Y86 | S50-E85 WeakPolarHBondContact CB-OE2 3.47Å; S50-E85 VanDerWaalsContact OG-CA 3.32Å; S50-E85 WeakPolarHBondContact OG-CA 3.29Å; S50-E85 PolarHBondContact OG-OE2 2.99Å; S50-Y86 PolarHBondContact N-O 2.91Å; S50-Y86 PolarHBondContact OG-N 3.02Å; S50-Y86 PolarHBondContact OG-O 2.88Å |
| 51 | S | 96.8 | Very high | 95.8 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | trans | -158.2 | 177.2 | 178.9 | 72.1 | 0 | 0 | 0 | 0 | 110.5 | A49 W73 A76 E85 | A49-S51 VanDerWaalsContact C-N 3.32Å; A49-S51 WeakPolarHBondContact CB-O 3.47Å; S51-W73 PolarHBondContact O-NE1 2.87Å; S51-A76 PolarHBondContact OG-N 3.48Å; S51-E85 WeakPolarHBondContact CB-OE2 3.19Å; S51-E85 PolarHBondContact OG-OE2 3.01Å | ||
| 52 | S | 95.8 | Very high | 96.1 | Very high | 43 Ų | 43 | 44.6 Ų | 44.6 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | trans | -150.9 | 133.2 | 169.9 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | S54 C74 | S52-S54 PolarHBondContact O-N 2.84Å; S52-C74 CarbonylContact C-O 3.53Å; S52-C74 WeakPolarHBondContact CA-O 3.48Å | ||
| 53 | W | 92.5 | Very high | 96.2 | Very high | 174 Ų | 174 | 44.3 Ų | 44.3 | 66% | 0.659 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -59.8 | -36.8 | -175.5 | 176.3 | -81.7 | 0 | 0 | 0 | 112.6 | T57 C74 | W53-T57 WeakPolarHBondContact CB-OG1 3.46Å; W53-C74 HydrophobicContact CB-CB 4.45Å; W53-C74 PolarHBondContact N-O 2.87Å |
| 54 | S | 93.8 | Very high | 96.1 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -150.8 | 166.6 | 174.8 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | S52 S56 T57 A58 | S52-S54 PolarHBondContact O-N 2.84Å; S54-S56 WeakPolarHBondContact CB-OG 3.22Å; S54-S56 PolarHBondContact O-N 2.96Å; S54-S56 PolarHBondContact OG-OG 3.07Å; S54-T57 PolarHBondContact N-OG1 2.91Å; S54-T57 CarbonylContact O-C 3.6Å; S54-T57 VanDerWaalsContact O-C 3.3Å; S54-T57 WeakPolarHBondContact O-CA 3.39Å; S54-T57 PolarHBondContact O-N 3.03Å; S54-T57 PolarHBondContact O-OG1 3.06Å; S54-T57 PolarHBondContact OG-N 3.41Å; S54-T57 PolarHBondContact OG-OG1 3.14Å; S54-A58 PolarHBondContact O-N 3.49Å; S54-A58 VanDerWaalsContact O-N 3.14Å |
| 55 | D | 93.6 | Very high | 96 | Very high | 112 Ų | 112 | 42.9 Ų | 42.9 | 60% | 0.599 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -64.4 | -26.4 | 171.3 | -174.9 | 63.8 | 0 | 0 | 0 | 112.3 | T57 A58 R60 H61 | D55-T57 PolarHBondContact O-N 3.19Å; D55-A58 VanDerWaalsContact O-CB 3.24Å; D55-A58 WeakPolarHBondContact O-CB 3.24Å; D55-A58 PolarHBondContact O-N 2.74Å; D55-R60 PolarHBondContact O-NH2 2.87Å; D55-R60 IonicContact OD1-CZ 2.81Å; D55-R60 IonicContact OD1-NH1 3.1Å; D55-R60 PolarHBondContact OD1-NH1 2.86Å; D55-R60 IonicContact OD1-NH2 3.48Å; D55-R60 PolarHBondContact OD1-NH2 2.85Å; D55-R60 VanDerWaalsContact OD1-NH2 3.12Å; D55-R60 IonicContact OD2-CZ 2.92Å; D55-R60 IonicContact OD2-NH1 3.8Å; D55-R60 IonicContact OD2-NH2 2.7Å; D55-R60 PolarHBondContact OD2-NH2 2.9Å; D55-H61 PolarHBondContact O-NE2 3.34Å |
| 56 | S | 92.4 | Very high | 95.8 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 26% | 0.259 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -70.6 | -13.8 | 170.3 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | S54 H61 D70 | S54-S56 WeakPolarHBondContact CB-OG 3.22Å; S54-S56 PolarHBondContact O-N 2.96Å; S54-S56 PolarHBondContact OG-OG 3.07Å; S56-H61 WeakPolarHBondContact CA-NE2 3.21Å; S56-H61 PolarHBondContact O-CD2 3.23Å; S56-D70 VanDerWaalsContact CB-CG 3.47Å; S56-D70 WeakPolarHBondContact CB-OD2 3.43Å; S56-D70 PolarHBondContact O-N 3.36Å; S56-D70 PolarHBondContact OG-OD2 2.66Å |
| 57 | T | 95.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -119.4 | 27 | 170.8 | 59 | 0 | 0 | 0 | 0 | 112.4 | W53 S54 D55 D70 A72 W73 C74 | W53-T57 WeakPolarHBondContact CB-OG1 3.46Å; S54-T57 PolarHBondContact N-OG1 2.91Å; S54-T57 CarbonylContact O-C 3.6Å; S54-T57 VanDerWaalsContact O-C 3.3Å; S54-T57 WeakPolarHBondContact O-CA 3.39Å; S54-T57 PolarHBondContact O-N 3.03Å; S54-T57 PolarHBondContact O-OG1 3.06Å; S54-T57 PolarHBondContact OG-N 3.41Å; S54-T57 PolarHBondContact OG-OG1 3.14Å; D55-T57 PolarHBondContact O-N 3.19Å; T57-D70 HydrophobicContact CG2-CB 3.99Å; T57-A72 WeakPolarHBondContact CA-O 3.46Å; T57-W73 WeakPolarHBondContact O-CA 3.43Å; T57-W73 VanDerWaalsContact O-CD1 3.24Å; T57-C74 HydrophobicContact CG2-CB 4.18Å; T57-C74 PolarHBondContact O-N 2.91Å |
| 58 | A | 96.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | trans | -62.6 | 158.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S54 D55 R60 H61 | S54-A58 PolarHBondContact O-N 3.49Å; S54-A58 VanDerWaalsContact O-N 3.14Å; D55-A58 VanDerWaalsContact O-CB 3.24Å; D55-A58 WeakPolarHBondContact O-CB 3.24Å; D55-A58 PolarHBondContact O-N 2.74Å; A58-R60 VanDerWaalsContact C-N 3.26Å; A58-R60 HydrophobicContact CB-CG 4.22Å; A58-R60 PolarHBondContact O-N 3.34Å; A58-R60 VanDerWaalsContact O-N 3.1Å; A58-H61 WeakPolarHBondContact O-CB 3.49Å; A58-H61 PolarHBondContact O-N 2.85Å | ||
| 59 | A | 97.2 | Very high | 94.7 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -50.8 | -38.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I47 A49 H61 S62 L87 | I47-A59 HydrophobicContact CG2-CB 4.18Å; I47-A59 VanDerWaalsContact CG2-O 3.22Å; I47-A59 WeakPolarHBondContact CG2-O 3.36Å; I47-A59 WeakPolarHBondContact O-CB 3.16Å; A49-A59 HydrophobicContact CB-CB 3.86Å; A59-H61 PolarHBondContact O-N 3.08Å; A59-H61 VanDerWaalsContact O-N 3.09Å; A59-S62 WeakPolarHBondContact O-CB 3.37Å; A59-S62 PolarHBondContact O-N 3.42Å; A59-S62 PolarHBondContact O-OG 3.44Å; A59-L87 HydrophobicContact CB-CD1 4.08Å |
| 60 | R | 96 | Very high | 94.3 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -53.9 | -25.3 | 175.4 | 64.8 | -174.7 | -174.6 | -107.2 | -7.1 | 115.1 | D44 D55 A58 S62 | D44-R60 HydrophobicContact CB-CB 4.14Å; D44-R60 WeakPolarHBondContact OD2-CB 3.36Å; D55-R60 PolarHBondContact O-NH2 2.87Å; D55-R60 IonicContact OD1-CZ 2.81Å; D55-R60 IonicContact OD1-NH1 3.1Å; D55-R60 PolarHBondContact OD1-NH1 2.86Å; D55-R60 IonicContact OD1-NH2 3.48Å; D55-R60 PolarHBondContact OD1-NH2 2.85Å; D55-R60 VanDerWaalsContact OD1-NH2 3.12Å; D55-R60 IonicContact OD2-CZ 2.92Å; D55-R60 IonicContact OD2-NH1 3.8Å; D55-R60 IonicContact OD2-NH2 2.7Å; D55-R60 PolarHBondContact OD2-NH2 2.9Å; A58-R60 VanDerWaalsContact C-N 3.26Å; A58-R60 HydrophobicContact CB-CG 4.22Å; A58-R60 PolarHBondContact O-N 3.34Å; A58-R60 VanDerWaalsContact O-N 3.1Å; R60-S62 VanDerWaalsContact C-N 3.27Å; R60-S62 PolarHBondContact O-N 3.3Å |
| 61 | H | 97.2 | Very high | 93.9 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 13% | 0.13 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -84.9 | 2.9 | 179 | -56.5 | -46.1 | 0 | 0 | 0 | 113 | D55 S56 A58 A59 R63 D68 A72 | D55-H61 PolarHBondContact O-NE2 3.34Å; S56-H61 WeakPolarHBondContact CA-NE2 3.21Å; S56-H61 PolarHBondContact O-CD2 3.23Å; A58-H61 WeakPolarHBondContact O-CB 3.49Å; A58-H61 PolarHBondContact O-N 2.85Å; A59-H61 PolarHBondContact O-N 3.08Å; A59-H61 VanDerWaalsContact O-N 3.09Å; H61-R63 PolarHBondContact O-N 2.86Å; H61-D68 VanDerWaalsContact ND1-CB 3.32Å; H61-D68 WeakPolarHBondContact ND1-CB 3.29Å; H61-A72 CarbonylContact O-C 3.38Å; H61-A72 VanDerWaalsContact O-CA 3.31Å; H61-A72 WeakPolarHBondContact O-CA 3.25Å |
| 62 | S | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -79.4 | 16 | 177.2 | 68.3 | 0 | 0 | 0 | 0 | 115 | M37 I47 A59 R60 L87 L178 R179 V180 | M37-S62 WeakPolarHBondContact CE-OG 3.45Å; I47-S62 WeakPolarHBondContact CG2-OG 3.28Å; A59-S62 WeakPolarHBondContact O-CB 3.37Å; A59-S62 PolarHBondContact O-N 3.42Å; A59-S62 PolarHBondContact O-OG 3.44Å; R60-S62 VanDerWaalsContact C-N 3.27Å; R60-S62 PolarHBondContact O-N 3.3Å; S62-L87 VanDerWaalsContact CB-CD2 3.48Å; S62-L87 WeakPolarHBondContact OG-CD1 3.48Å; S62-L87 WeakPolarHBondContact OG-CD2 3.47Å; S62-L178 WeakPolarHBondContact CA-O 3.42Å; S62-R179 CarbonylContact O-C 3.24Å; S62-R179 VanDerWaalsContact O-CA 3.24Å; S62-R179 WeakPolarHBondContact O-CA 3.44Å; S62-V180 PolarHBondContact O-N 2.86Å | ||
| 63 | R | 97.9 | Very high | 94 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 130.1 | -177.3 | -63.7 | 174.9 | 179.1 | -77.1 | 1.9 | 110.6 | M37 I42 D44 I47 H61 S66 R179 | M37-R63 HydrophobicContact CE-CG 4.43Å; M37-R63 WeakPolarHBondContact O-CB 3.11Å; M37-R63 VanDerWaalsContact O-CD 3.29Å; M37-R63 WeakPolarHBondContact O-CD 3.17Å; M37-R63 WeakPolarHBondContact O-CG 3.46Å; M37-R63 PolarHBondContact O-NH1 3.44Å; I42-R63 VanDerWaalsContact O-CZ 3.27Å; I42-R63 PolarHBondContact O-NH1 3.21Å; I42-R63 PolarHBondContact O-NH2 3.42Å; D44-R63 IonicContact OD1-CZ 2.88Å; D44-R63 IonicContact OD1-NE 3.94Å; D44-R63 PolarHBondContact OD1-NE 3.48Å; D44-R63 IonicContact OD1-NH2 2.75Å; D44-R63 PolarHBondContact OD1-NH2 3.38Å; I47-R63 HydrophobicContact CD1-CG 4.33Å; I47-R63 VanDerWaalsContact CD1-CZ 3.44Å; H61-R63 PolarHBondContact O-N 2.86Å; R63-S66 WeakPolarHBondContact O-CB 3.4Å; R63-S66 PolarHBondContact O-N 3.35Å; R63-S66 VanDerWaalsContact O-N 3.12Å; R63-R179 VanDerWaalsContact O-CD 3.27Å; R63-R179 WeakPolarHBondContact O-CD 3.18Å; R63-R179 WeakPolarHBondContact O-CG 3.45Å |
| 64 | L | 95.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 141.6 | 174.9 | -154.1 | 83 | 0 | 0 | 0 | 111.4 | Q38 S66 Q103 V150 V180 E181 | Q38-L64 HydrophobicContact CB-CB 4.45Å; Q38-L64 WeakPolarHBondContact CG-O 3.28Å; L64-S66 PolarHBondContact O-N 2.95Å; L64-Q103 HydrophobicContact CD1-CB 3.65Å; L64-V150 HydrophobicContact CD1-CG1 4.27Å; L64-V150 HydrophobicContact CD1-CG2 4.19Å; L64-V150 HydrophobicContact CD2-CG1 4Å; L64-V150 HydrophobicContact CD2-CG2 4.08Å; L64-V150 HydrophobicContact CG-CG2 4.18Å; L64-V180 PolarHBondContact N-O 3.05Å; L64-V180 VanDerWaalsContact N-O 3.11Å; L64-E181 HydrophobicContact CB-CB 3.87Å; L64-E181 HydrophobicContact CD2-CB 3.83Å; L64-E181 HydrophobicContact CG-CB 4.3Å |
| 65 | E | 93.2 | Very high | 94.4 | Very high | 98 Ų | 98 | 32.1 Ų | 32.1 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 2.9 | -174.5 | -61.1 | -53.7 | 144.2 | 0 | 0 | 116.8 | Q38 Q103 V150 | Q38-E65 HydrophobicContact CG-CB 4.4Å; E65-Q103 VanDerWaalsContact CD-NE2 3.34Å; E65-Q103 PolarHBondContact OE1-NE2 3.03Å; E65-Q103 PolarHBondContact OE2-NE2 3.41Å; E65-V150 WeakPolarHBondContact OE1-CG2 3.2Å |
| 66 | S | 92.2 | Very high | 94.2 | Very high | 12 Ų | 12 | 29 Ų | 29 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | trans | -72.1 | 147.8 | 174.2 | -176 | 0 | 0 | 0 | 0 | 111.6 | R63 L64 D68 R179 | R63-S66 WeakPolarHBondContact O-CB 3.4Å; R63-S66 PolarHBondContact O-N 3.35Å; R63-S66 VanDerWaalsContact O-N 3.12Å; L64-S66 PolarHBondContact O-N 2.95Å; S66-D68 WeakPolarHBondContact OG-CB 3.46Å; S66-D68 VanDerWaalsContact OG-CG 3.29Å; S66-D68 PolarHBondContact OG-N 2.79Å; S66-D68 VanDerWaalsContact OG-N 3.13Å; S66-D68 PolarHBondContact OG-OD1 2.93Å; S66-R179 VanDerWaalsContact O-CD 3.32Å; S66-R179 WeakPolarHBondContact O-CD 3.32Å; S66-R179 PolarHBondContact O-NH1 2.78Å | ||
| 67 | S | 90.6 | Very high | 93.8 | Very high | 101 Ų | 101 | 28.8 Ų | 28.8 | 71% | 0.706 | 18% | 0.183 | S | C | * | . | trans | -116 | 11.8 | 169.8 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 68 | D | 89.6 | Confident | 93.4 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | trans | -60.8 | 144.3 | 177.9 | -65.5 | 31.3 | 0 | 0 | 0 | 111.9 | R40 H61 S66 G71 | R40-D68 IonicContact CZ-OD1 2.73Å; R40-D68 IonicContact CZ-OD2 2.7Å; R40-D68 VanDerWaalsContact CZ-OD2 3.26Å; R40-D68 IonicContact NH1-OD2 2.71Å; R40-D68 PolarHBondContact NH1-OD2 2.99Å; R40-D68 IonicContact NH2-OD1 2.65Å; R40-D68 PolarHBondContact NH2-OD1 2.99Å; R40-D68 IonicContact NH2-OD2 2.65Å; R40-D68 PolarHBondContact NH2-OD2 2.73Å; H61-D68 VanDerWaalsContact ND1-CB 3.32Å; H61-D68 WeakPolarHBondContact ND1-CB 3.29Å; S66-D68 WeakPolarHBondContact OG-CB 3.46Å; S66-D68 VanDerWaalsContact OG-CG 3.29Å; S66-D68 PolarHBondContact OG-N 2.79Å; S66-D68 VanDerWaalsContact OG-N 3.13Å; S66-D68 PolarHBondContact OG-OD1 2.93Å; D68-G71 WeakPolarHBondContact O-CA 3.26Å; D68-G71 PolarHBondContact O-N 3.45Å | ||
| 69 | G | 90.8 | Very high | 92.8 | Very high | 42 Ų | 42 | 31.1 Ų | 31.1 | 43% | 0.433 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -136.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G71 | G69-G71 PolarHBondContact O-N 3.33Š|
| 70 | D | 88.9 | Confident | 92.1 | Very high | 75 Ų | 75 | 33.8 Ų | 33.8 | 40% | 0.401 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 16.7 | 170.8 | -71.2 | -25.9 | 0 | 0 | 0 | 112.1 | S56 T57 R105 A107 | S56-D70 VanDerWaalsContact CB-CG 3.47Å; S56-D70 WeakPolarHBondContact CB-OD2 3.43Å; S56-D70 PolarHBondContact O-N 3.36Å; S56-D70 PolarHBondContact OG-OD2 2.66Å; T57-D70 HydrophobicContact CG2-CB 3.99Å; D70-R105 VanDerWaalsContact O-CD 3.23Å; D70-R105 WeakPolarHBondContact O-CD 3.49Å; D70-R105 VanDerWaalsContact O-CG 3.26Å; D70-R105 WeakPolarHBondContact O-CG 3.38Å; D70-R105 PolarHBondContact O-NH1 2.95Å; D70-A107 WeakPolarHBondContact O-CB 3.26Å |
| 71 | G | 88.9 | Confident | 91 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 90 | 12.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | D68 G69 R179 | D68-G71 WeakPolarHBondContact O-CA 3.26Å; D68-G71 PolarHBondContact O-N 3.45Å; G69-G71 PolarHBondContact O-N 3.33Å; G71-R179 VanDerWaalsContact O-CD 3.28Å; G71-R179 WeakPolarHBondContact O-CD 3.49Å; G71-R179 PolarHBondContact O-NE 2.81Å |
| 72 | A | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -171.7 | 169.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T57 H61 R105 C177 R179 | T57-A72 WeakPolarHBondContact CA-O 3.46Å; H61-A72 CarbonylContact O-C 3.38Å; H61-A72 VanDerWaalsContact O-CA 3.31Å; H61-A72 WeakPolarHBondContact O-CA 3.25Å; A72-R105 HydrophobicContact CB-CB 3.59Å; A72-R105 HydrophobicContact CB-CG 3.67Å; A72-C177 HydrophobicContact CB-CB 3.78Å; A72-R179 HydrophobicContact CB-CG 3.99Å |
| 73 | W | 98 | Very high | 89.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 140.7 | 156 | 166.7 | 72.6 | 0 | 0 | 0 | 110.8 | A49 S51 T57 P75 Y86 L87 P168 C177 L178 | A49-W73 HydrophobicContact CB-CZ2 3.81Å; A49-W73 VanDerWaalsContact CB-NE1 3.27Å; S51-W73 PolarHBondContact O-NE1 2.87Å; T57-W73 WeakPolarHBondContact O-CA 3.43Å; T57-W73 VanDerWaalsContact O-CD1 3.24Å; W73-P75 HydrophobicContact CH2-CG 3.61Å; W73-P75 HydrophobicContact CZ2-CB 4.26Å; W73-P75 HydrophobicContact CZ2-CG 3.67Å; W73-P75 HydrophobicContact CZ3-CG 4.22Å; W73-Y86 WeakPolarHBondContact CZ2-O 3.18Å; W73-L87 HydrophobicContact CB-CD1 4.46Å; W73-L87 HydrophobicContact CD2-CB 4.27Å; W73-L87 HydrophobicContact CD2-CD1 4.1Å; W73-L87 HydrophobicContact CE3-CB 3.77Å; W73-L87 HydrophobicContact CE3-CD1 4.27Å; W73-L87 HydrophobicContact CE3-CG 4.43Å; W73-L87 HydrophobicContact CG-CD1 4.19Å; W73-L87 HydrophobicContact CH2-CB 4.02Å; W73-L87 VanDerWaalsContact CH2-N 3.31Å; W73-L87 HydrophobicContact CZ3-CB 3.64Å; W73-P168 HydrophobicContact CH2-CG 3.94Å; W73-P168 HydrophobicContact CZ3-CG 3.95Å; W73-C177 CarbonylContact O-C 3.58Å; W73-C177 WeakPolarHBondContact O-CA 3.28Å; W73-C177 VanDerWaalsContact O-CB 3.23Å; W73-C177 WeakPolarHBondContact O-CB 3.46Å; W73-L178 HydrophobicContact CE3-CB 4.1Å; W73-L178 HydrophobicContact CZ3-CB 4.4Å; W73-L178 HydrophobicContact CZ3-CD1 4.31Å; W73-L178 PolarHBondContact N-O 2.9Å; W73-L178 PolarHBondContact O-N 3.25Å |
| 74 | C | 97.1 | Very high | 89.2 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | trans | -138.6 | 130.3 | 175.2 | -50.1 | 0 | 0 | 0 | 0 | 109.7 | S52 W53 T57 C177 | S52-C74 CarbonylContact C-O 3.53Å; S52-C74 WeakPolarHBondContact CA-O 3.48Å; W53-C74 HydrophobicContact CB-CB 4.45Å; W53-C74 PolarHBondContact N-O 2.87Å; T57-C74 HydrophobicContact CG2-CB 4.18Å; T57-C74 PolarHBondContact O-N 2.91Å; C74-C177 HydrophobicContact CB-CB 4.11Å; C74-C177 WeakPolarHBondContact CB-SG 3.09Å; C74-C177 WeakPolarHBondContact SG-CB 3.42Å; C74-C177 CovalentContact SG-SG 2.04Å; C74-C177 PolarHBondContact SG-SG 2.81Å | ||
| 75 | P | 96.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | trans | -59.8 | 149.8 | 174.6 | -20.3 | 30.8 | 0 | 0 | 0 | 113 | W73 V79 E85 P168 V176 | W73-P75 HydrophobicContact CH2-CG 3.61Å; W73-P75 HydrophobicContact CZ2-CB 4.26Å; W73-P75 HydrophobicContact CZ2-CG 3.67Å; W73-P75 HydrophobicContact CZ3-CG 4.22Å; P75-V79 HydrophobicContact CB-CG2 4.28Å; P75-V79 HydrophobicContact CG-CG2 3.85Å; P75-E85 HydrophobicContact CB-CB 4.02Å; P75-E85 HydrophobicContact CB-CG 3.84Å; P75-E85 HydrophobicContact CG-CB 4.08Å; P75-E85 HydrophobicContact CG-CG 4.41Å; P75-P168 HydrophobicContact CG-CG 4.34Å; P75-V176 WeakPolarHBondContact CD-O 3.47Å; P75-V176 HydrophobicContact CG-CG2 4.49Å | ||
| 76 | A | 90.9 | Very high | 89.4 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -75.3 | -39.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S51 | S51-A76 PolarHBondContact OG-N 3.48Š|
| 77 | G | 82.5 | Confident | 89.7 | Confident | 32 Ų | 32 | 44.3 Ų | 44.3 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -79.5 | 150.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V79 | G77-V79 PolarHBondContact O-N 2.98Š|
| 78 | S | 86.8 | Confident | 90.1 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 44% | 0.441 | 24% | 0.235 | S | C | . | . | trans | -66.1 | 119.7 | 164.4 | -169 | 0 | 0 | 0 | 0 | 109.3 | F80 | S78-F80 PolarHBondContact O-N 3.5Å; S78-F80 PolarHBondContact OG-O 2.87Å | ||
| 79 | V | 84.9 | Confident | 90.5 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | trans | -60.8 | -32.1 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | P75 G77 K82 E83 E85 P168 A170 V176 | P75-V79 HydrophobicContact CB-CG2 4.28Å; P75-V79 HydrophobicContact CG-CG2 3.85Å; G77-V79 PolarHBondContact O-N 2.98Å; V79-K82 PolarHBondContact O-N 3.12Å; V79-E83 PolarHBondContact O-N 3Å; V79-E85 HydrophobicContact CG2-CB 4.04Å; V79-E85 HydrophobicContact CG2-CG 4.16Å; V79-P168 WeakPolarHBondContact CG1-O 3.46Å; V79-P168 HydrophobicContact CG2-CG 4.25Å; V79-A170 HydrophobicContact CB-CB 4.43Å; V79-V176 HydrophobicContact CB-CG2 4.12Å; V79-V176 HydrophobicContact CG2-CG2 3.41Å; V79-V176 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 80 | F | 81 | Confident | 90.8 | Very high | 67 Ų | 67 | 37.6 Ų | 37.6 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 136.8 | 173.9 | 178.2 | -86 | 0 | 0 | 0 | 111 | S78 A170 R172 V173 | S78-F80 PolarHBondContact O-N 3.5Å; S78-F80 PolarHBondContact OG-O 2.87Å; F80-A170 HydrophobicContact CB-CB 4.43Å; F80-R172 VanDerWaalsContact CB-O 3.3Å; F80-R172 WeakPolarHBondContact CB-O 3.36Å; F80-V173 HydrophobicContact CD1-CG2 3.82Å |
| 81 | P | 74.4 | Confident | 91.2 | Very high | 89 Ų | 89 | 34.8 Ų | 34.8 | 58% | 0.578 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -96 | -4.2 | 4.3 | 37.4 | -36.5 | 0 | 0 | 0 | 114.2 | ||
| 82 | K | 76.4 | Confident | 91.4 | Very high | 123 Ų | 123 | 39.6 Ų | 39.6 | 54% | 0.535 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -28.3 | -161.8 | -66.6 | -157.1 | -175.7 | -173.3 | 0 | 115.4 | V79 E84 | V79-K82 PolarHBondContact O-N 3.12Å; K82-E84 HydrophobicContact CB-CB 4.29Å; K82-E84 HydrophobicContact CB-CG 3.99Å; K82-E84 HydrophobicContact CD-CG 4.12Å; K82-E84 VanDerWaalsContact CD-OE1 3.25Å; K82-E84 WeakPolarHBondContact CD-OE1 3.43Å; K82-E84 WeakPolarHBondContact CD-OE2 3.46Å; K82-E84 IonicContact NZ-OE1 3.67Å; K82-E84 PolarHBondContact NZ-OE1 2.86Å; K82-E84 IonicContact NZ-OE2 2.72Å; K82-E84 PolarHBondContact NZ-OE2 3.26Å; K82-E84 PolarHBondContact O-N 3.16Å |
| 83 | E | 84.9 | Confident | 91.2 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 16% | 0.159 | 24% | 0.24 | C | C | . | . | trans | 58.9 | 29.5 | -177.4 | -52.8 | 174.5 | -178.7 | 0 | 0 | 112.5 | V79 R119 Y167 R169 | V79-E83 PolarHBondContact O-N 3Å; E83-R119 IonicContact OE2-CZ 3.85Å; E83-R119 IonicContact OE2-NH1 2.95Å; E83-R119 PolarHBondContact OE2-NH1 2.79Å; E83-R119 IonicContact OE2-NH2 3.76Å; E83-R119 PolarHBondContact OE2-NH2 3.42Å; E83-Y167 WeakPolarHBondContact O-CD1 3.5Å; E83-R169 VanDerWaalsContact CD-NE 3.28Å; E83-R169 HydrophobicContact CG-CG 4.36Å; E83-R169 IonicContact OE1-CZ 2.71Å; E83-R169 IonicContact OE1-NE 3.22Å; E83-R169 PolarHBondContact OE1-NE 2.91Å; E83-R169 IonicContact OE1-NH2 3.18Å; E83-R169 PolarHBondContact OE1-NH2 3.26Å; E83-R169 IonicContact OE2-NE 3.57Å; E83-R169 PolarHBondContact OE2-NE 2.8Å; E83-R169 VanDerWaalsContact OE2-NE 3.16Å | ||
| 84 | E | 92.1 | Very high | 91.1 | Very high | 100 Ų | 100 | 47.1 Ų | 47.1 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | trans | -84 | -24.5 | -178.1 | -83.2 | 173.5 | -175.2 | 0 | 0 | 114.1 | K82 Y86 | K82-E84 HydrophobicContact CB-CB 4.29Å; K82-E84 HydrophobicContact CB-CG 3.99Å; K82-E84 HydrophobicContact CD-CG 4.12Å; K82-E84 VanDerWaalsContact CD-OE1 3.25Å; K82-E84 WeakPolarHBondContact CD-OE1 3.43Å; K82-E84 WeakPolarHBondContact CD-OE2 3.46Å; K82-E84 IonicContact NZ-OE1 3.67Å; K82-E84 PolarHBondContact NZ-OE1 2.86Å; K82-E84 IonicContact NZ-OE2 2.72Å; K82-E84 PolarHBondContact NZ-OE2 3.26Å; K82-E84 PolarHBondContact O-N 3.16Å; E84-Y86 WeakPolarHBondContact O-CD1 3.45Å | ||
| 85 | E | 96 | Very high | 91 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | trans | -72.6 | 145.5 | -178.3 | -62.7 | -67.5 | 148.2 | 0 | 0 | 111.9 | S50 S51 P75 V79 Y167 P168 | S50-E85 WeakPolarHBondContact CB-OE2 3.47Å; S50-E85 VanDerWaalsContact OG-CA 3.32Å; S50-E85 WeakPolarHBondContact OG-CA 3.29Å; S50-E85 PolarHBondContact OG-OE2 2.99Å; S51-E85 WeakPolarHBondContact CB-OE2 3.19Å; S51-E85 PolarHBondContact OG-OE2 3.01Å; P75-E85 HydrophobicContact CB-CB 4.02Å; P75-E85 HydrophobicContact CB-CG 3.84Å; P75-E85 HydrophobicContact CG-CB 4.08Å; P75-E85 HydrophobicContact CG-CG 4.41Å; V79-E85 HydrophobicContact CG2-CB 4.04Å; V79-E85 HydrophobicContact CG2-CG 4.16Å; E85-Y167 VanDerWaalsContact O-CD1 3.3Å; E85-Y167 WeakPolarHBondContact O-CD1 3.24Å; E85-P168 WeakPolarHBondContact O-CD 3.37Å | ||
| 86 | Y | 97.8 | Very high | 90.9 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 20% | 0.2 | 25% | 0.245 | C | C | . | . | trans | -152.2 | 149.7 | 178.9 | 60.7 | -89.2 | 0 | 0 | 0 | 113.6 | A49 S50 W73 E84 Q88 R165 F166 Y167 | A49-Y86 CarbonylContact C-O 3.38Å; A49-Y86 VanDerWaalsContact CA-O 3.25Å; A49-Y86 WeakPolarHBondContact CA-O 3.37Å; A49-Y86 WeakPolarHBondContact CB-O 3.33Å; S50-Y86 PolarHBondContact N-O 2.91Å; S50-Y86 PolarHBondContact OG-N 3.02Å; S50-Y86 PolarHBondContact OG-O 2.88Å; W73-Y86 WeakPolarHBondContact CZ2-O 3.18Å; E84-Y86 WeakPolarHBondContact O-CD1 3.45Å; Y86-Q88 HydrophobicContact CD2-CB 4.04Å; Y86-Q88 HydrophobicContact CE2-CB 4.09Å; Y86-R165 HydrophobicContact CD2-CG 3.73Å; Y86-R165 HydrophobicContact CE2-CG 4.3Å; Y86-R165 HydrophobicContact CG-CG 4.26Å; Y86-R165 PolarHBondContact OH-NH2 3Å; Y86-F166 VanDerWaalsContact CA-O 3.25Å; Y86-F166 WeakPolarHBondContact CA-O 3.45Å; Y86-Y167 HydrophobicContact CD1-CD1 4.48Å; Y86-Y167 AromaticContact CD1-CE1 3.64Å; Y86-Y167 HydrophobicContact CD1-CE1 3.64Å; Y86-Y167 AromaticContact CD1-CZ 3.7Å; Y86-Y167 HydrophobicContact CG-CE1 4.05Å; Y86-Y167 HydrophobicContact CG-CE2 4.38Å; Y86-Y167 AromaticContact CG-CZ 3.89Å | ||
| 87 | L | 98.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 139 | 156.6 | -179.8 | 72.2 | 0 | 0 | 0 | 108.1 | I47 A59 S62 W73 R165 F166 V180 | I47-L87 HydrophobicContact CG2-CD1 4Å; A59-L87 HydrophobicContact CB-CD1 4.08Å; S62-L87 VanDerWaalsContact CB-CD2 3.48Å; S62-L87 WeakPolarHBondContact OG-CD1 3.48Å; S62-L87 WeakPolarHBondContact OG-CD2 3.47Å; W73-L87 HydrophobicContact CB-CD1 4.46Å; W73-L87 HydrophobicContact CD2-CB 4.27Å; W73-L87 HydrophobicContact CD2-CD1 4.1Å; W73-L87 HydrophobicContact CE3-CB 3.77Å; W73-L87 HydrophobicContact CE3-CD1 4.27Å; W73-L87 HydrophobicContact CE3-CG 4.43Å; W73-L87 HydrophobicContact CG-CD1 4.19Å; W73-L87 HydrophobicContact CH2-CB 4.02Å; W73-L87 VanDerWaalsContact CH2-N 3.31Å; W73-L87 HydrophobicContact CZ3-CB 3.64Å; L87-R165 CarbonylContact O-C 3.57Å; L87-R165 WeakPolarHBondContact O-CA 3.46Å; L87-F166 HydrophobicContact CB-CB 4.39Å; L87-F166 PolarHBondContact N-O 3.27Å; L87-F166 PolarHBondContact O-N 3.04Å; L87-V180 HydrophobicContact CD2-CB 4.47Å; L87-V180 HydrophobicContact CD2-CG1 3.92Å; L87-V180 HydrophobicContact CD2-CG2 3.62Å |
| 88 | Q | 98.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 44 Ų | 44 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.9 | 176 | -178.6 | -179.1 | -78.3 | 0 | 0 | 110.2 | I47 S48 Y86 W129 V164 R165 | I47-Q88 WeakPolarHBondContact CA-O 3.1Å; S48-Q88 PolarHBondContact N-O 3.33Å; S48-Q88 PolarHBondContact O-N 2.84Å; S48-Q88 VanDerWaalsContact O-O 3.11Å; S48-Q88 PolarHBondContact OG-NE2 2.94Å; Y86-Q88 HydrophobicContact CD2-CB 4.04Å; Y86-Q88 HydrophobicContact CE2-CB 4.09Å; Q88-W129 HydrophobicContact CG-CH2 4.25Å; Q88-V164 WeakPolarHBondContact CA-O 3.31Å; Q88-R165 HydrophobicContact CB-CG 3.83Å; Q88-R165 HydrophobicContact CG-CG 3.93Å; Q88-R165 VanDerWaalsContact OE1-CZ 3.26Å |
| 89 | V | 98.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.1 | 171.5 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | M37 I42 L91 L163 V164 L182 | M37-V89 HydrophobicContact CE-CG2 3.95Å; M37-V89 HydrophobicContact SD-CB 4.48Å; M37-V89 HydrophobicContact SD-CG1 3.83Å; M37-V89 HydrophobicContact SD-CG2 3.74Å; I42-V89 HydrophobicContact CD1-CG1 3.82Å; I42-V89 HydrophobicContact CG2-CG1 4.13Å; V89-L91 HydrophobicContact CG1-CD2 3.95Å; V89-L163 WeakPolarHBondContact O-CA 3.41Å; V89-V164 PolarHBondContact N-O 2.7Å; V89-V164 PolarHBondContact O-N 3.18Å; V89-L182 HydrophobicContact CB-CD1 4.24Å; V89-L182 HydrophobicContact CG1-CD1 4.09Å; V89-L182 HydrophobicContact CG2-CD1 4.13Å |
| 90 | D | 98.1 | Very high | 92.7 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.5 | 168.8 | -164 | -29.7 | 0 | 0 | 0 | 109.1 | D46 Q92 R162 L163 | D46-D90 HydrophobicContact CB-CB 4.26Å; D46-D90 PolarHBondContact O-N 2.78Å; D90-Q92 VanDerWaalsContact C-N 3.31Å; D90-Q92 WeakPolarHBondContact OD1-CA 3.23Å; D90-Q92 PolarHBondContact OD1-N 2.89Å; D90-R162 IonicContact OD1-CZ 2.66Å; D90-R162 IonicContact OD1-NH1 3.36Å; D90-R162 PolarHBondContact OD1-NH1 2.97Å; D90-R162 IonicContact OD1-NH2 2.86Å; D90-R162 IonicContact OD2-CZ 3.5Å; D90-R162 IonicContact OD2-NH1 3.15Å; D90-R162 PolarHBondContact OD2-NH1 3.1Å; D90-R162 IonicContact OD2-NH2 3.66Å; D90-R162 PolarHBondContact OD2-NH2 2.84Å; D90-L163 HydrophobicContact CB-CD2 4.4Å; D90-L163 HydrophobicContact CB-CG 4.47Å |
| 91 | L | 96.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 3.8 | -179.8 | -56.1 | 174 | 0 | 0 | 0 | 112.1 | L35 I42 V89 R93 H95 V97 R162 L182 | L35-L91 HydrophobicContact CB-CD2 4.3Å; L35-L91 HydrophobicContact CD1-CD1 3.95Å; L35-L91 HydrophobicContact CD1-CD2 4.36Å; I42-L91 HydrophobicContact CD1-CD2 3.69Å; V89-L91 HydrophobicContact CG1-CD2 3.95Å; L91-R93 PolarHBondContact O-N 3.26Å; L91-H95 WeakPolarHBondContact CB-ND1 3.45Å; L91-H95 HydrophobicContact CD1-CB 3.92Å; L91-H95 PolarHBondContact O-CE1 3.39Å; L91-V97 HydrophobicContact CD1-CG2 4.04Å; L91-R162 WeakPolarHBondContact CB-O 3.25Å; L91-R162 PolarHBondContact N-O 3.2Å; L91-L182 HydrophobicContact CD1-CD2 4.41Å; L91-L182 HydrophobicContact CD2-CD2 4.46Å |
| 92 | Q | 93 | Very high | 94.6 | Very high | 103 Ų | 103 | 33.5 Ų | 33.5 | 48% | 0.481 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.1 | -43.2 | -174.6 | -64.2 | -66.6 | -10.9 | 0 | 0 | 115.6 | D46 D90 R162 | D46-Q92 PolarHBondContact OD1-NE2 2.83Å; D46-Q92 VanDerWaalsContact OD2-CG 3.26Å; D46-Q92 WeakPolarHBondContact OD2-CG 3.41Å; D46-Q92 PolarHBondContact OD2-NE2 3.01Å; D90-Q92 VanDerWaalsContact C-N 3.31Å; D90-Q92 WeakPolarHBondContact OD1-CA 3.23Å; D90-Q92 PolarHBondContact OD1-N 2.89Å; Q92-R162 WeakPolarHBondContact O-CD 3.13Å |
| 93 | R | 92.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 27.7 Ų | 27.7 | 53% | 0.528 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 160.5 | 177.9 | -60.3 | 175.4 | 68.7 | 174 | 0.4 | 109.8 | L91 H95 | L91-R93 PolarHBondContact O-N 3.26Å; R93-H95 PolarHBondContact O-N 3.5Å; R93-H95 PolarHBondContact O-ND1 2.87Å |
| 94 | L | 94.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 9% | 0.094 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 132.2 | 170 | -65.1 | 166.5 | 0 | 0 | 0 | 109.7 | R124 A161 R162 W187 L192 D275 | L94-R124 HydrophobicContact CD2-CB 3.81Å; L94-R124 HydrophobicContact CD2-CG 3.7Å; L94-A161 WeakPolarHBondContact CA-O 3.45Å; L94-R162 HydrophobicContact CD2-CB 4.11Å; L94-W187 HydrophobicContact CB-CB 3.67Å; L94-W187 HydrophobicContact CB-CG 4.16Å; L94-W187 VanDerWaalsContact O-CB 3.29Å; L94-W187 WeakPolarHBondContact O-CB 3.29Å; L94-W187 PolarHBondContact O-N 2.83Å; L94-L192 HydrophobicContact CD1-CD2 3.73Å; L94-L192 HydrophobicContact CD2-CD2 4.43Å; L94-D275 HydrophobicContact CD1-CB 3.96Å |
| 95 | H | 95.1 | Very high | 96 | Very high | 26 Ų | 26 | 23.3 Ų | 23.3 | 12% | 0.12 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149 | 173.3 | -69.5 | 80.6 | 0 | 0 | 0 | 108.9 | L35 L91 R93 V160 A161 C185 | L35-H95 HydrophobicContact CD1-CB 4.14Å; L91-H95 WeakPolarHBondContact CB-ND1 3.45Å; L91-H95 HydrophobicContact CD1-CB 3.92Å; L91-H95 PolarHBondContact O-CE1 3.39Å; R93-H95 PolarHBondContact O-N 3.5Å; R93-H95 PolarHBondContact O-ND1 2.87Å; H95-V160 WeakPolarHBondContact O-CA 2.99Å; H95-A161 PolarHBondContact N-O 3.44Å; H95-A161 PolarHBondContact O-N 2.91Å; H95-C185 CarbonylContact C-O 3.43Å; H95-C185 WeakPolarHBondContact CA-O 3.47Å; H95-C185 WeakPolarHBondContact CB-O 3.3Å |
| 96 | L | 95 | Very high | 95.6 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 120.1 | 157.7 | -171.9 | 84.9 | 0 | 0 | 0 | 107 | F26 C31 P158 V160 G184 C185 W187 | F26-L96 HydrophobicContact CD2-CD2 3.52Å; F26-L96 HydrophobicContact CE2-CD1 3.93Å; F26-L96 HydrophobicContact CE2-CD2 3.42Å; F26-L96 VanDerWaalsContact CE2-CD2 3.42Å; F26-L96 HydrophobicContact CE2-CG 4.27Å; F26-L96 HydrophobicContact CZ-CD1 4.35Å; C31-L96 HydrophobicContact CB-CD2 4.35Å; L96-P158 HydrophobicContact CD1-CB 3.87Å; L96-P158 HydrophobicContact CD1-CG 4Å; L96-P158 HydrophobicContact CD2-CB 4.11Å; L96-P158 HydrophobicContact CD2-CG 4.32Å; L96-P158 HydrophobicContact CG-CB 3.96Å; L96-P158 HydrophobicContact CG-CG 4.44Å; L96-V160 HydrophobicContact CD1-CG2 3.69Å; L96-G184 CarbonylContact O-C 3.55Å; L96-G184 WeakPolarHBondContact O-CA 3.32Å; L96-C185 PolarHBondContact N-O 2.96Å; L96-C185 PolarHBondContact O-N 3.45Å; L96-C185 VanDerWaalsContact O-N 3.08Å; L96-W187 HydrophobicContact CB-CE3 4.23Å; L96-W187 HydrophobicContact CD1-CE3 4.48Å; L96-W187 HydrophobicContact CD1-CZ3 4.12Å |
| 97 | V | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113 | 172 | -173.3 | 0 | 0 | 0 | 0 | 107.6 | L35 L91 L99 V100 L155 M159 V164 L182 | L35-V97 HydrophobicContact CD1-CG2 4.13Å; L91-V97 HydrophobicContact CD1-CG2 4.04Å; V97-L99 VanDerWaalsContact CG1-O 3.32Å; V97-L99 WeakPolarHBondContact CG1-O 3.21Å; V97-V100 HydrophobicContact CG1-CG1 4.24Å; V97-L155 HydrophobicContact CG1-CD1 4.05Å; V97-M159 HydrophobicContact CB-CE 3.84Å; V97-M159 HydrophobicContact CB-CG 3.95Å; V97-M159 HydrophobicContact CG1-CE 3.77Å; V97-M159 HydrophobicContact CG2-CE 4.34Å; V97-M159 PolarHBondContact N-O 2.68Å; V97-M159 PolarHBondContact O-N 3.31Å; V97-V164 HydrophobicContact CG2-CG2 4.32Å; V97-L182 HydrophobicContact CG1-CB 4.29Å; V97-L182 HydrophobicContact CG1-CD2 4.27Å; V97-L182 HydrophobicContact CG2-CD2 4.35Å |
| 98 | A | 94.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -19.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L155 P158 Y183 | A98-L155 WeakPolarHBondContact O-CB 3.41Å; A98-L155 PolarHBondContact O-N 2.87Å; A98-P158 HydrophobicContact CB-CB 4.32Å; A98-Y183 PolarHBondContact N-O 2.86Å |
| 99 | L | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 163.7 | 167.7 | -38.2 | 58.6 | 0 | 0 | 0 | 110.6 | R32 V97 K153 Y183 A409 | R32-L99 HydrophobicContact CB-CD1 4.01Å; R32-L99 HydrophobicContact CG-CD1 3.75Å; R32-L99 VanDerWaalsContact CZ-CD1 3.45Å; V97-L99 VanDerWaalsContact CG1-O 3.32Å; V97-L99 WeakPolarHBondContact CG1-O 3.21Å; L99-K153 VanDerWaalsContact CA-O 3.23Å; L99-K153 WeakPolarHBondContact CA-O 3.37Å; L99-K153 WeakPolarHBondContact CB-O 3.21Å; L99-Y183 HydrophobicContact CB-CD2 4.12Å; L99-Y183 HydrophobicContact CB-CG 4.47Å; L99-Y183 HydrophobicContact CD2-CD2 4.39Å; L99-Y183 HydrophobicContact CD2-CG 4.43Å; L99-Y183 PolarHBondContact N-O 3.35Å; L99-Y183 PolarHBondContact O-N 3.43Å; L99-A409 HydrophobicContact CD2-CB 4.18Å |
| 100 | V | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.2 | 156.1 | -67.7 | 0 | 0 | 0 | 0 | 110.4 | V97 Y118 L120 K153 L155 F166 E181 L182 | V97-V100 HydrophobicContact CG1-CG1 4.24Å; V100-Y118 HydrophobicContact CG2-CE2 4.03Å; V100-Y118 VanDerWaalsContact CG2-OH 3.29Å; V100-Y118 WeakPolarHBondContact CG2-OH 3.17Å; V100-L120 HydrophobicContact CG1-CD1 4.11Å; V100-L120 HydrophobicContact CG1-CD2 4.49Å; V100-L120 HydrophobicContact CG2-CD1 3.99Å; V100-K153 HydrophobicContact CG2-CB 4.24Å; V100-K153 PolarHBondContact N-O 3Å; V100-K153 VanDerWaalsContact N-O 3.08Å; V100-K153 PolarHBondContact O-N 2.73Å; V100-L155 HydrophobicContact CG1-CD1 4.39Å; V100-F166 HydrophobicContact CB-CE1 3.79Å; V100-F166 HydrophobicContact CB-CZ 3.93Å; V100-F166 HydrophobicContact CG1-CE1 3.86Å; V100-F166 HydrophobicContact CG1-CZ 3.6Å; V100-F166 HydrophobicContact CG2-CE1 4.1Å; V100-E181 WeakPolarHBondContact CA-O 3.43Å; V100-L182 HydrophobicContact CG1-CG 4.34Å |
| 101 | G | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 139.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V151 V180 E181 | G101-V151 WeakPolarHBondContact CA-O 3.12Å; G101-V180 CarbonylContact O-C 3.44Å; G101-V180 VanDerWaalsContact O-CA 3.24Å; G101-V180 WeakPolarHBondContact O-CA 3.34Å; G101-E181 PolarHBondContact N-O 3.12Å; G101-E181 PolarHBondContact O-N 2.86Å |
| 102 | T | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 150.6 | 171.2 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | Y118 N144 V151 F166 L178 R179 V180 | T102-Y118 HydrophobicContact CG2-CD1 4.12Å; T102-Y118 HydrophobicContact CG2-CE1 3.42Å; T102-Y118 VanDerWaalsContact CG2-CE1 3.42Å; T102-Y118 HydrophobicContact CG2-CE2 4.28Å; T102-Y118 WeakPolarHBondContact OG1-CE1 3.38Å; T102-N144 VanDerWaalsContact C-OD1 3.31Å; T102-N144 WeakPolarHBondContact CB-OD1 3.48Å; T102-N144 PolarHBondContact O-ND2 2.93Å; T102-N144 PolarHBondContact O-OD1 3.18Å; T102-N144 PolarHBondContact OG1-OD1 3.28Å; T102-V151 PolarHBondContact N-O 3.04Å; T102-V151 PolarHBondContact O-N 2.82Å; T102-F166 HydrophobicContact CG2-CD1 4.17Å; T102-F166 HydrophobicContact CG2-CE1 4.04Å; T102-L178 HydrophobicContact CG2-CD2 4Å; T102-R179 CarbonylContact C-O 3.47Å; T102-R179 WeakPolarHBondContact CA-O 3.38Å; T102-V180 HydrophobicContact CG2-CG1 4.15Å |
| 103 | Q | 96.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 151.1 | -178.9 | -163.2 | -175.2 | 23.2 | 0 | 0 | 109 | L64 E65 N144 E148 V150 R179 | L64-Q103 HydrophobicContact CD1-CB 3.65Å; E65-Q103 VanDerWaalsContact CD-NE2 3.34Å; E65-Q103 PolarHBondContact OE1-NE2 3.03Å; E65-Q103 PolarHBondContact OE2-NE2 3.41Å; Q103-N144 WeakPolarHBondContact CA-ND2 3.5Å; Q103-N144 PolarHBondContact N-OD1 2.88Å; Q103-E148 WeakPolarHBondContact CG-O 3.49Å; Q103-E148 PolarHBondContact NE2-O 2.82Å; Q103-V150 HydrophobicContact CB-CG2 4.31Å; Q103-V150 HydrophobicContact CG-CG2 4.05Å; Q103-R179 HydrophobicContact CB-CB 4.15Å; Q103-R179 VanDerWaalsContact CD-CZ 3.41Å; Q103-R179 PolarHBondContact N-O 3.07Å; Q103-R179 PolarHBondContact O-N 2.9Å |
| 104 | G | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -84.7 | -168.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H106 P147 R179 | G104-H106 PolarHBondContact O-N 2.88Å; G104-P147 CarbonylContact C-O 3.58Å; G104-P147 WeakPolarHBondContact CA-O 3.34Å; G104-P147 PolarHBondContact N-O 2.7Å; G104-R179 VanDerWaalsContact O-CZ 3.27Å; G104-R179 PolarHBondContact O-NE 3.2Å; G104-R179 PolarHBondContact O-NH2 3.35Å | ||
| 105 | R | 94.2 | Very high | 91.4 | Very high | 41 Ų | 41 | 31.2 Ų | 31.2 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -89.5 | 96.5 | 174.7 | -167.9 | -177.3 | 81.2 | 98.7 | -6.7 | 110.4 | D70 A72 A107 G111 E113 P147 C177 | D70-R105 VanDerWaalsContact O-CD 3.23Å; D70-R105 WeakPolarHBondContact O-CD 3.49Å; D70-R105 VanDerWaalsContact O-CG 3.26Å; D70-R105 WeakPolarHBondContact O-CG 3.38Å; D70-R105 PolarHBondContact O-NH1 2.95Å; A72-R105 HydrophobicContact CB-CB 3.59Å; A72-R105 HydrophobicContact CB-CG 3.67Å; R105-A107 HydrophobicContact CG-CB 4.2Å; R105-G111 CarbonylContact O-C 3.59Å; R105-G111 WeakPolarHBondContact O-CA 3.35Å; R105-E113 WeakPolarHBondContact CB-O 3.43Å; R105-E113 IonicContact CZ-OE1 2.91Å; R105-E113 IonicContact CZ-OE2 2.71Å; R105-E113 VanDerWaalsContact CZ-OE2 3.24Å; R105-E113 PolarHBondContact N-O 2.82Å; R105-E113 IonicContact NE-OE1 2.83Å; R105-E113 IonicContact NE-OE2 3.03Å; R105-E113 PolarHBondContact NE-OE2 3.35Å; R105-E113 VanDerWaalsContact NH2-CD 3.28Å; R105-E113 IonicContact NH2-OE1 2.9Å; R105-E113 PolarHBondContact NH2-OE1 3.3Å; R105-E113 IonicContact NH2-OE2 3.3Å; R105-E113 PolarHBondContact NH2-OE2 3Å; R105-P147 WeakPolarHBondContact O-CB 3.32Å; R105-C177 HydrophobicContact CB-CB 3.86Å |
| 106 | H | 87.6 | Confident | 91.2 | Very high | 55 Ų | 55 | 33.9 Ų | 33.9 | 26% | 0.255 | 19% | 0.194 | S | C | . | . | trans | -76.3 | -41.8 | 179.1 | 174.6 | 89.1 | 0 | 0 | 0 | 112.6 | G104 G108 G109 L110 G111 E148 | G104-H106 PolarHBondContact O-N 2.88Å; H106-G108 PolarHBondContact CD2-N 2.72Å; H106-G108 PolarHBondContact O-N 3.41Å; H106-G109 PolarHBondContact CD2-N 2.78Å; H106-G109 PolarHBondContact NE2-N 2.84Å; H106-G109 PolarHBondContact O-N 2.92Å; H106-L110 PolarHBondContact O-N 3.44Å; H106-G111 PolarHBondContact O-N 2.81Å; H106-E148 IonicContact CE1-OE2 2.72Å; H106-E148 PolarHBondContact CE1-OE2 2.77Å; H106-E148 IonicContact ND1-OE2 3.85Å; H106-E148 PolarHBondContact ND1-OE2 2.8Å | ||
| 107 | A | 85.3 | Confident | 91.3 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | 45.1 | 53.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D70 R105 G109 L110 | D70-A107 WeakPolarHBondContact O-CB 3.26Å; R105-A107 HydrophobicContact CG-CB 4.2Å; A107-G109 VanDerWaalsContact C-N 3.32Å; A107-G109 PolarHBondContact O-N 3.26Å; A107-L110 PolarHBondContact O-N 3.4Å |
| 108 | G | 78.7 | Confident | 91.3 | Very high | 70 Ų | 70 | 34.7 Ų | 34.7 | 72% | 0.722 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | 62.8 | 32.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H106 L110 | H106-G108 PolarHBondContact CD2-N 2.72Å; H106-G108 PolarHBondContact O-N 3.41Å; G108-L110 VanDerWaalsContact C-N 3.29Å; G108-L110 PolarHBondContact O-N 2.98Å |
| 109 | G | 78.9 | Confident | 91.5 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | 80.2 | 0.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | H106 A107 | H106-G109 PolarHBondContact CD2-N 2.78Å; H106-G109 PolarHBondContact NE2-N 2.84Å; H106-G109 PolarHBondContact O-N 2.92Å; A107-G109 VanDerWaalsContact C-N 3.32Å; A107-G109 PolarHBondContact O-N 3.26Å |
| 110 | L | 81.4 | Confident | 91.6 | Very high | 142 Ų | 142 | 37.4 Ų | 37.4 | 74% | 0.743 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -23 | 178.2 | -62.8 | 178.9 | 0 | 0 | 0 | 113.3 | H106 A107 G108 | H106-L110 PolarHBondContact O-N 3.44Å; A107-L110 PolarHBondContact O-N 3.4Å; G108-L110 VanDerWaalsContact C-N 3.29Å; G108-L110 PolarHBondContact O-N 2.98Å |
| 111 | G | 83.9 | Confident | 91.6 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | trans | -74.6 | 149.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R105 H106 P147 | R105-G111 CarbonylContact O-C 3.59Å; R105-G111 WeakPolarHBondContact O-CA 3.35Å; H106-G111 PolarHBondContact O-N 2.81Å; G111-P147 WeakPolarHBondContact O-CG 3.38Å | ||
| 112 | K | 89.5 | Confident | 91.7 | Very high | 157 Ų | 157 | 43.1 Ų | 43.1 | 68% | 0.683 | 23% | 0.231 | S | C | * | . | trans | -141.5 | 2.7 | -169.1 | -65.2 | 173.8 | -171.7 | 165.2 | 0 | 112.9 | F114 | K112-F114 WeakPolarHBondContact O-CD1 3.31Š| ||
| 113 | E | 92.1 | Very high | 91.7 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -105.5 | 125.6 | -168.7 | -53 | 84.1 | 170.4 | 0 | 0 | 110.4 | R105 C177 | R105-E113 WeakPolarHBondContact CB-O 3.43Å; R105-E113 IonicContact CZ-OE1 2.91Å; R105-E113 IonicContact CZ-OE2 2.71Å; R105-E113 VanDerWaalsContact CZ-OE2 3.24Å; R105-E113 PolarHBondContact N-O 2.82Å; R105-E113 IonicContact NE-OE1 2.83Å; R105-E113 IonicContact NE-OE2 3.03Å; R105-E113 PolarHBondContact NE-OE2 3.35Å; R105-E113 VanDerWaalsContact NH2-CD 3.28Å; R105-E113 IonicContact NH2-OE1 2.9Å; R105-E113 PolarHBondContact NH2-OE1 3.3Å; R105-E113 IonicContact NH2-OE2 3.3Å; R105-E113 PolarHBondContact NH2-OE2 3Å; E113-C177 HydrophobicContact CB-CB 4.26Å; E113-C177 VanDerWaalsContact CB-SG 3.54Å |
| 114 | F | 94.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 44 Ų | 44 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | trans | -157.8 | 158.5 | -175 | 56.8 | -90.1 | 0 | 0 | 0 | 111.3 | K112 R116 N144 E145 P147 | K112-F114 WeakPolarHBondContact O-CD1 3.31Å; F114-R116 HydrophobicContact CD2-CG 3.99Å; F114-R116 HydrophobicContact CE2-CG 3.58Å; F114-N144 HydrophobicContact CB-CB 4.32Å; F114-N144 HydrophobicContact CD2-CB 4.16Å; F114-N144 WeakPolarHBondContact CD2-O 3.4Å; F114-N144 VanDerWaalsContact CE2-O 3.23Å; F114-N144 WeakPolarHBondContact CE2-O 3.42Å; F114-E145 VanDerWaalsContact CE2-O 3.3Å; F114-E145 WeakPolarHBondContact CE2-O 3.29Å; F114-E145 VanDerWaalsContact CZ-C 3.45Å; F114-E145 WeakPolarHBondContact CZ-O 3.33Å; F114-P147 HydrophobicContact CD1-CG 4.01Å; F114-P147 HydrophobicContact CE1-CG 4.4Å | ||
| 115 | S | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -95.8 | 104.4 | 179.6 | -60 | 0 | 0 | 0 | 0 | 111.1 | S117 N144 P168 C177 L178 | S115-S117 PolarHBondContact O-N 3.17Å; S115-N144 PolarHBondContact O-N 2.86Å; S115-P168 WeakPolarHBondContact OG-CB 3.48Å; S115-C177 PolarHBondContact N-O 3.1Å; S115-C177 PolarHBondContact OG-O 2.87Å; S115-C177 VanDerWaalsContact OG-O 3.1Å; S115-L178 WeakPolarHBondContact OG-CG 3.1Å | ||
| 116 | R | 92.7 | Very high | 91.4 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -62.8 | -24.9 | 176.2 | -74.3 | 169.5 | 164.5 | -82.7 | -22 | 114.1 | F114 G143 N144 E145 | F114-R116 HydrophobicContact CD2-CG 3.99Å; F114-R116 HydrophobicContact CE2-CG 3.58Å; R116-G143 PolarHBondContact O-N 2.82Å; R116-N144 WeakPolarHBondContact CA-O 3.49Å; R116-E145 IonicContact CZ-OE2 2.79Å; R116-E145 IonicContact NH1-OE1 3.19Å; R116-E145 PolarHBondContact NH1-OE1 3.32Å; R116-E145 IonicContact NH1-OE2 3.37Å; R116-E145 PolarHBondContact NH1-OE2 2.97Å; R116-E145 IonicContact NH2-OE2 3.16Å; R116-E145 PolarHBondContact NH2-OE2 3.42Å |
| 117 | S | 95.4 | Very high | 91.5 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 165.7 | 172.3 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | S115 I141 R169 | S115-S117 PolarHBondContact O-N 3.17Å; S117-I141 CarbonylContact C-O 3.54Å; S117-I141 WeakPolarHBondContact CA-O 3.2Å; S117-I141 VanDerWaalsContact CB-O 3.24Å; S117-I141 WeakPolarHBondContact CB-O 3.46Å; S117-R169 WeakPolarHBondContact O-CA 3.1Å; S117-R169 WeakPolarHBondContact O-CB 3.47Å; S117-R169 PolarHBondContact O-N 2.8Å; S117-R169 WeakPolarHBondContact OG-CB 3.05Å; S117-R169 PolarHBondContact OG-O 3.15Å |
| 118 | Y | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 170.9 | 172.9 | 53.4 | -86.2 | 0 | 0 | 0 | 110.4 | V100 T102 L120 I141 F166 Y167 | V100-Y118 HydrophobicContact CG2-CE2 4.03Å; V100-Y118 VanDerWaalsContact CG2-OH 3.29Å; V100-Y118 WeakPolarHBondContact CG2-OH 3.17Å; T102-Y118 HydrophobicContact CG2-CD1 4.12Å; T102-Y118 HydrophobicContact CG2-CE1 3.42Å; T102-Y118 VanDerWaalsContact CG2-CE1 3.42Å; T102-Y118 HydrophobicContact CG2-CE2 4.28Å; T102-Y118 WeakPolarHBondContact OG1-CE1 3.38Å; Y118-L120 HydrophobicContact CD2-CD2 4.28Å; Y118-L120 HydrophobicContact CD2-CG 4.28Å; Y118-L120 HydrophobicContact CE2-CD2 4.21Å; Y118-L120 HydrophobicContact CE2-CG 4.15Å; Y118-I141 HydrophobicContact CD1-CG2 4.49Å; Y118-I141 HydrophobicContact CD2-CB 4.11Å; Y118-I141 HydrophobicContact CD2-CD1 4.12Å; Y118-I141 HydrophobicContact CD2-CG2 4.38Å; Y118-I141 HydrophobicContact CE1-CB 4.41Å; Y118-I141 HydrophobicContact CE1-CG2 3.82Å; Y118-I141 HydrophobicContact CE2-CB 3.84Å; Y118-I141 HydrophobicContact CE2-CD1 3.63Å; Y118-I141 HydrophobicContact CE2-CG1 4.35Å; Y118-I141 HydrophobicContact CE2-CG2 3.69Å; Y118-I141 PolarHBondContact N-O 3.12Å; Y118-I141 PolarHBondContact O-N 3.44Å; Y118-I141 WeakPolarHBondContact OH-CG2 3.29Å; Y118-F166 HydrophobicContact CD2-CD1 4.14Å; Y118-F166 HydrophobicContact CE2-CD1 4.12Å; Y118-F166 HydrophobicContact CE2-CE1 4.36Å; Y118-Y167 CarbonylContact C-O 3.58Å; Y118-Y167 WeakPolarHBondContact CA-O 3.48Å; Y118-Y167 WeakPolarHBondContact CB-O 3.5Å |
| 119 | R | 97.8 | Very high | 92.7 | Very high | 59 Ų | 59 | 56.9 Ų | 56.9 | 22% | 0.223 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 153.4 | 160.2 | -64.8 | -172 | -160.4 | 71.9 | -4.8 | 109.6 | E83 E139 V140 Y167 | E83-R119 IonicContact OE2-CZ 3.85Å; E83-R119 IonicContact OE2-NH1 2.95Å; E83-R119 PolarHBondContact OE2-NH1 2.79Å; E83-R119 IonicContact OE2-NH2 3.76Å; E83-R119 PolarHBondContact OE2-NH2 3.42Å; R119-E139 HydrophobicContact CG-CB 4.42Å; R119-E139 IonicContact NE-OE2 3.42Å; R119-V140 HydrophobicContact CG-CG2 4.09Å; R119-Y167 PolarHBondContact N-O 2.93Å; R119-Y167 PolarHBondContact O-N 3.01Å |
| 120 | L | 98.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.9 | 169.3 | -67.3 | 172.7 | 0 | 0 | 0 | 110.3 | V100 Y118 W132 I141 L155 M159 V164 R165 F166 | V100-L120 HydrophobicContact CG1-CD1 4.11Å; V100-L120 HydrophobicContact CG1-CD2 4.49Å; V100-L120 HydrophobicContact CG2-CD1 3.99Å; Y118-L120 HydrophobicContact CD2-CD2 4.28Å; Y118-L120 HydrophobicContact CD2-CG 4.28Å; Y118-L120 HydrophobicContact CE2-CD2 4.21Å; Y118-L120 HydrophobicContact CE2-CG 4.15Å; L120-W132 HydrophobicContact CB-CB 3.92Å; L120-W132 PolarHBondContact O-N 2.84Å; L120-I141 HydrophobicContact CD1-CD1 3.65Å; L120-I141 HydrophobicContact CG-CD1 3.8Å; L120-L155 HydrophobicContact CD1-CD1 4Å; L120-L155 HydrophobicContact CD1-CD2 3.72Å; L120-M159 HydrophobicContact CD1-CE 4.04Å; L120-V164 HydrophobicContact CD2-CG1 4.04Å; L120-R165 WeakPolarHBondContact CA-O 3.37Å; L120-F166 HydrophobicContact CD2-CD1 3.58Å; L120-F166 HydrophobicContact CD2-CD2 4.31Å; L120-F166 HydrophobicContact CD2-CE1 3.72Å; L120-F166 HydrophobicContact CD2-CE2 4.41Å; L120-F166 HydrophobicContact CD2-CG 3.9Å; L120-F166 HydrophobicContact CD2-CZ 4.14Å |
| 121 | R | 98.4 | Very high | 94.3 | Very high | 102 Ų | 102 | 50 Ų | 50 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.7 | 160.2 | -58.1 | -168.4 | 74 | 130.1 | -0.5 | 109.1 | W129 M130 V164 R165 Y167 | R121-W129 HydrophobicContact CB-CE3 4.12Å; R121-W129 PolarHBondContact NH2-O 2.86Å; R121-M130 CarbonylContact C-O 3.52Å; R121-M130 WeakPolarHBondContact CA-O 3.25Å; R121-M130 VanDerWaalsContact CB-O 3.27Å; R121-M130 WeakPolarHBondContact CB-O 3.49Å; R121-V164 CarbonylContact O-C 3.51Å; R121-R165 HydrophobicContact CB-CB 4.4Å; R121-R165 PolarHBondContact N-O 3.27Å; R121-R165 PolarHBondContact O-N 2.97Å; R121-Y167 HydrophobicContact CB-CD2 4.32Å; R121-Y167 HydrophobicContact CB-CE2 3.89Å; R121-Y167 VanDerWaalsContact CD-CE2 3.5Å; R121-Y167 HydrophobicContact CG-CD2 3.84Å; R121-Y167 HydrophobicContact CG-CE2 3.62Å |
| 122 | Y | 98.4 | Very high | 95 | Very high | 18 Ų | 18 | 50 Ų | 50 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 160.6 | -178.4 | 63.2 | -81.9 | 0 | 0 | 0 | 111.9 | W129 M130 W132 M159 A161 L163 D216 | Y122-W129 WeakPolarHBondContact O-CA 3.29Å; Y122-M130 HydrophobicContact CD1-CB 4.49Å; Y122-M130 HydrophobicContact CD2-CE 3.91Å; Y122-M130 HydrophobicContact CE1-CB 4.07Å; Y122-M130 HydrophobicContact CE2-CB 4.17Å; Y122-M130 HydrophobicContact CE2-CE 3.81Å; Y122-M130 HydrophobicContact CE2-SD 4.26Å; Y122-M130 PolarHBondContact N-O 3.47Å; Y122-M130 PolarHBondContact O-N 2.73Å; Y122-W132 HydrophobicContact CD1-CB 4.15Å; Y122-W132 HydrophobicContact CE1-CB 3.98Å; Y122-M159 HydrophobicContact CD1-CB 4.11Å; Y122-M159 HydrophobicContact CD1-CG 4.42Å; Y122-M159 HydrophobicContact CD1-SD 3.54Å; Y122-M159 VanDerWaalsContact CD1-SD 3.54Å; Y122-M159 HydrophobicContact CD2-CB 4.12Å; Y122-M159 HydrophobicContact CE1-CB 4.05Å; Y122-M159 HydrophobicContact CE1-SD 4.25Å; Y122-M159 HydrophobicContact CE2-CB 4.05Å; Y122-M159 HydrophobicContact CG-CB 4.15Å; Y122-M159 HydrophobicContact CG-CG 4.38Å; Y122-M159 HydrophobicContact CG-SD 3.74Å; Y122-A161 HydrophobicContact CD2-CB 4.24Å; Y122-A161 HydrophobicContact CG-CB 4.44Å; Y122-L163 VanDerWaalsContact CA-O 3.32Å; Y122-L163 WeakPolarHBondContact CA-O 3.48Å; Y122-D216 VanDerWaalsContact OH-CB 3.3Å; Y122-D216 WeakPolarHBondContact OH-CB 3.45Å; Y122-D216 PolarHBondContact OH-OD2 3.01Å |
| 123 | S | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 141.6 | -178.2 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | D125 G126 R128 R162 L163 | S123-D125 PolarHBondContact OG-OD1 3.01Å; S123-D125 VanDerWaalsContact OG-OD1 3.11Å; S123-G126 WeakPolarHBondContact OG-CA 3.27Å; S123-G126 PolarHBondContact OG-N 3.49Å; S123-R128 WeakPolarHBondContact CA-O 3.46Å; S123-R128 WeakPolarHBondContact CB-O 3.5Å; S123-R128 PolarHBondContact OG-O 3.16Å; S123-R162 PolarHBondContact O-N 3.07Å; S123-L163 PolarHBondContact N-O 2.94Å; S123-L163 PolarHBondContact O-N 2.86Å |
| 124 | R | 95.6 | Very high | 95.2 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -94.3 | -32 | 173 | -69.2 | -171.3 | -78.6 | -74.5 | 3.7 | 112.2 | L94 V160 L192 D216 | L94-R124 HydrophobicContact CD2-CB 3.81Å; L94-R124 HydrophobicContact CD2-CG 3.7Å; R124-V160 WeakPolarHBondContact CD-O 3.39Å; R124-V160 WeakPolarHBondContact CG-O 3.37Å; R124-V160 PolarHBondContact NH1-O 3.24Å; R124-L192 HydrophobicContact CB-CD2 4.29Å; R124-L192 PolarHBondContact NE-O 3.33Å; R124-D216 IonicContact CZ-OD1 2.7Å; R124-D216 IonicContact CZ-OD2 3.31Å; R124-D216 VanDerWaalsContact CZ-OD2 3.25Å; R124-D216 IonicContact NH1-OD2 3.76Å; R124-D216 PolarHBondContact NH1-OD2 3.08Å; R124-D216 VanDerWaalsContact NH2-CG 3.28Å; R124-D216 IonicContact NH2-OD1 2.87Å; R124-D216 PolarHBondContact NH2-OD1 3.49Å; R124-D216 IonicContact NH2-OD2 3.3Å; R124-D216 PolarHBondContact NH2-OD2 3.07Å |
| 125 | D | 90.1 | Very high | 95 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 47% | 0.471 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -109 | -9.5 | -172.4 | 71.1 | -20.4 | 0 | 0 | 0 | 114.6 | S123 R127 R128 | S123-D125 PolarHBondContact OG-OD1 3.01Å; S123-D125 VanDerWaalsContact OG-OD1 3.11Å; D125-R127 VanDerWaalsContact C-N 3.29Å; D125-R127 PolarHBondContact O-N 2.83Å; D125-R127 PolarHBondContact OD1-N 3.28Å; D125-R127 WeakPolarHBondContact OD2-CB 3.42Å; D125-R128 PolarHBondContact OD1-N 2.71Å; D125-R128 PolarHBondContact OD2-N 2.99Å |
| 126 | G | 91.3 | Very high | 94.9 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 81.1 | -2.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S123 | S123-G126 WeakPolarHBondContact OG-CA 3.27Å; S123-G126 PolarHBondContact OG-N 3.49Å |
| 127 | R | 90.8 | Very high | 94.7 | Very high | 221 Ų | 221 | 49.3 Ų | 49.3 | 83% | 0.834 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -116 | -50.3 | -175.7 | -49.4 | 177.4 | 176.6 | -165.2 | -2.8 | 111.4 | D125 | D125-R127 VanDerWaalsContact C-N 3.29Å; D125-R127 PolarHBondContact O-N 2.83Å; D125-R127 PolarHBondContact OD1-N 3.28Å; D125-R127 WeakPolarHBondContact OD2-CB 3.42Å |
| 128 | R | 93.3 | Very high | 94.5 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | trans | -80.4 | 118.9 | 172.6 | -178.5 | -172.3 | 177.4 | 82.2 | 0.8 | 109.4 | S123 D125 M130 D216 G217 H218 | S123-R128 WeakPolarHBondContact CA-O 3.46Å; S123-R128 WeakPolarHBondContact CB-O 3.5Å; S123-R128 PolarHBondContact OG-O 3.16Å; D125-R128 PolarHBondContact OD1-N 2.71Å; D125-R128 PolarHBondContact OD2-N 2.99Å; R128-M130 HydrophobicContact CG-CE 4.49Å; R128-M130 HydrophobicContact CG-CG 4.25Å; R128-M130 HydrophobicContact CG-SD 4.33Å; R128-M130 PolarHBondContact NE-SD 3.25Å; R128-D216 PolarHBondContact NH2-O 3.25Å; R128-G217 VanDerWaalsContact NH2-C 3.29Å; R128-G217 PolarHBondContact NH2-O 2.77Å; R128-H218 PolarHBondContact NH1-CD2 3.33Å; R128-H218 PolarHBondContact NH1-NE2 3.09Å | ||
| 129 | W | 96.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 56.6 Ų | 56.6 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -110.8 | 103.8 | 176 | -75.8 | 90.9 | 0 | 0 | 0 | 111.2 | Q88 R121 Y122 L163 R165 | Q88-W129 HydrophobicContact CG-CH2 4.25Å; R121-W129 HydrophobicContact CB-CE3 4.12Å; R121-W129 PolarHBondContact NH2-O 2.86Å; Y122-W129 WeakPolarHBondContact O-CA 3.29Å; W129-L163 HydrophobicContact CH2-CB 3.56Å; W129-L163 HydrophobicContact CH2-CD2 4.3Å; W129-L163 HydrophobicContact CH2-CG 4.45Å; W129-L163 HydrophobicContact CZ2-CB 4.18Å; W129-L163 HydrophobicContact CZ2-CD2 4.19Å; W129-L163 HydrophobicContact CZ3-CB 4.3Å; W129-R165 HydrophobicContact CE3-CG 4.31Å; W129-R165 HydrophobicContact CH2-CG 3.62Å; W129-R165 VanDerWaalsContact CH2-NE 3.32Å; W129-R165 HydrophobicContact CZ3-CB 4Å; W129-R165 HydrophobicContact CZ3-CG 3.5Å | ||
| 130 | M | 96.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 147.8 | 176.3 | -66.3 | 145.1 | -58.5 | 0 | 0 | 109.7 | R121 Y122 R128 D216 | R121-M130 CarbonylContact C-O 3.52Å; R121-M130 WeakPolarHBondContact CA-O 3.25Å; R121-M130 VanDerWaalsContact CB-O 3.27Å; R121-M130 WeakPolarHBondContact CB-O 3.49Å; Y122-M130 HydrophobicContact CD1-CB 4.49Å; Y122-M130 HydrophobicContact CD2-CE 3.91Å; Y122-M130 HydrophobicContact CE1-CB 4.07Å; Y122-M130 HydrophobicContact CE2-CB 4.17Å; Y122-M130 HydrophobicContact CE2-CE 3.81Å; Y122-M130 HydrophobicContact CE2-SD 4.26Å; Y122-M130 PolarHBondContact N-O 3.47Å; Y122-M130 PolarHBondContact O-N 2.73Å; R128-M130 HydrophobicContact CG-CE 4.49Å; R128-M130 HydrophobicContact CG-CG 4.25Å; R128-M130 HydrophobicContact CG-SD 4.33Å; R128-M130 PolarHBondContact NE-SD 3.25Å; M130-D216 HydrophobicContact CG-CB 4.4Å; M130-D216 HydrophobicContact SD-CB 3.95Å; M130-D216 VanDerWaalsContact SD-OD2 3.41Å |
| 131 | G | 96.6 | Very high | 94 | Very high | 35 Ų | 35 | 55.5 Ų | 55.5 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 133.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 132 | W | 97.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 142 | 172.5 | -177.8 | 87.1 | 0 | 0 | 0 | 110.4 | L120 Y122 D134 I141 L155 P157 | L120-W132 HydrophobicContact CB-CB 3.92Å; L120-W132 PolarHBondContact O-N 2.84Å; Y122-W132 HydrophobicContact CD1-CB 4.15Å; Y122-W132 HydrophobicContact CE1-CB 3.98Å; W132-D134 HydrophobicContact CH2-CB 3.61Å; W132-D134 HydrophobicContact CZ2-CB 4.02Å; W132-D134 HydrophobicContact CZ3-CB 4.28Å; W132-I141 HydrophobicContact CE3-CD1 3.82Å; W132-I141 HydrophobicContact CE3-CG1 4.14Å; W132-I141 HydrophobicContact CH2-CG1 4.49Å; W132-I141 HydrophobicContact CZ3-CD1 3.69Å; W132-I141 HydrophobicContact CZ3-CG1 3.62Å; W132-L155 HydrophobicContact CD2-CD2 4.16Å; W132-L155 HydrophobicContact CE3-CD2 4.47Å; W132-L155 HydrophobicContact CH2-CD2 3.97Å; W132-L155 HydrophobicContact CZ2-CB 3.98Å; W132-L155 HydrophobicContact CZ2-CD2 3.66Å; W132-L155 HydrophobicContact CZ2-CG 4.43Å; W132-L155 HydrophobicContact CZ3-CD2 4.39Å; W132-P157 PolarHBondContact NE1-O 3.33Å |
| 133 | K | 95.1 | Very high | 93.4 | Very high | 98 Ų | 98 | 54.9 Ų | 54.9 | 43% | 0.426 | 28% | 0.283 | S | S | . | . | trans | -137.9 | 150.7 | 169.7 | -31.6 | -160.5 | -176.4 | -147.8 | 0 | 107.6 | Q138 E139 P157 | K133-Q138 WeakPolarHBondContact CA-O 3.39Å; K133-E139 HydrophobicContact CD-CG 3.86Å; K133-E139 VanDerWaalsContact CE-OE1 3.29Å; K133-E139 WeakPolarHBondContact CE-OE1 3.45Å; K133-E139 HydrophobicContact CG-CG 4Å; K133-E139 IonicContact NZ-OE1 3.69Å; K133-E139 PolarHBondContact NZ-OE1 2.88Å; K133-P157 WeakPolarHBondContact O-CD 3.2Å | ||
| 134 | D | 92.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | trans | -74.4 | 174.7 | 170.2 | 66.9 | 24.8 | 0 | 0 | 0 | 112.8 | W132 W136 G137 Q138 G156 | W132-D134 HydrophobicContact CH2-CB 3.61Å; W132-D134 HydrophobicContact CZ2-CB 4.02Å; W132-D134 HydrophobicContact CZ3-CB 4.28Å; D134-W136 HydrophobicContact CB-CE3 4.26Å; D134-W136 PolarHBondContact O-N 2.9Å; D134-W136 WeakPolarHBondContact OD1-CA 3Å; D134-W136 PolarHBondContact OD1-N 3.45Å; D134-G137 PolarHBondContact O-N 2.93Å; D134-G137 PolarHBondContact OD1-N 2.84Å; D134-Q138 PolarHBondContact N-O 2.93Å; D134-Q138 WeakPolarHBondContact OD1-CB 3.39Å; D134-Q138 PolarHBondContact OD1-N 2.96Å; D134-G156 CarbonylContact C-O 3.59Å; D134-G156 WeakPolarHBondContact CA-O 3.47Å; D134-G156 WeakPolarHBondContact CB-O 3.46Å | ||
| 135 | R | 89.9 | Confident | 93 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -15.5 | 178 | -61 | -167.2 | -169.2 | -76.5 | 9.6 | 114.5 | G156 D233 E246 Y253 | R135-G156 PolarHBondContact N-O 2.75Å; R135-D233 IonicContact CZ-OD2 2.82Å; R135-D233 IonicContact NH1-OD2 3.02Å; R135-D233 PolarHBondContact NH1-OD2 3.17Å; R135-D233 IonicContact NH2-OD2 2.73Å; R135-D233 PolarHBondContact NH2-OD2 2.74Å; R135-E246 IonicContact CZ-OE1 2.75Å; R135-E246 IonicContact NE-OE1 2.96Å; R135-E246 PolarHBondContact NE-OE1 2.82Å; R135-E246 IonicContact NE-OE2 3.18Å; R135-E246 IonicContact NH2-OE1 2.68Å; R135-E246 PolarHBondContact NH2-OE1 2.86Å; R135-Y253 WeakPolarHBondContact CB-OH 3.44Å; R135-Y253 WeakPolarHBondContact CD-OH 3.47Å; R135-Y253 VanDerWaalsContact CG-OH 3.32Å; R135-Y253 WeakPolarHBondContact CG-OH 3.4Å |
| 136 | W | 91 | Very high | 93 | Very high | 114 Ų | 114 | 58.8 Ų | 58.8 | 43% | 0.432 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 8.1 | 177.3 | -47.2 | -71.9 | 0 | 0 | 0 | 112.7 | D134 L247 R248 | D134-W136 HydrophobicContact CB-CE3 4.26Å; D134-W136 PolarHBondContact O-N 2.9Å; D134-W136 WeakPolarHBondContact OD1-CA 3Å; D134-W136 PolarHBondContact OD1-N 3.45Å; W136-L247 WeakPolarHBondContact CZ2-O 3.34Å; W136-L247 PolarHBondContact NE1-O 2.92Å; W136-R248 VanDerWaalsContact CD2-NH2 3.32Å; W136-R248 VanDerWaalsContact CE2-NH2 3.32Å |
| 137 | G | 89.8 | Confident | 92.9 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 46% | 0.464 | 29% | 0.293 | S | S | . | . | trans | 85.9 | 5.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D134 | D134-G137 PolarHBondContact O-N 2.93Å; D134-G137 PolarHBondContact OD1-N 2.84Å | ||
| 138 | Q | 91.3 | Very high | 92.9 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | trans | -80.7 | 123.5 | -177.3 | 170 | 64.5 | 19.6 | 0 | 0 | 111.1 | K133 D134 V140 | K133-Q138 WeakPolarHBondContact CA-O 3.39Å; D134-Q138 PolarHBondContact N-O 2.93Å; D134-Q138 WeakPolarHBondContact OD1-CB 3.39Å; D134-Q138 PolarHBondContact OD1-N 2.96Å; Q138-V140 PolarHBondContact NE2-O 3.49Å | ||
| 139 | E | 92 | Very high | 92.8 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 33% | 0.327 | 28% | 0.281 | S | S | . | . | trans | -91.1 | -32.9 | -177.8 | -55 | -172.5 | 169.1 | 0 | 0 | 114.1 | R119 K133 | R119-E139 HydrophobicContact CG-CB 4.42Å; R119-E139 IonicContact NE-OE2 3.42Å; K133-E139 HydrophobicContact CD-CG 3.86Å; K133-E139 VanDerWaalsContact CE-OE1 3.29Å; K133-E139 WeakPolarHBondContact CE-OE1 3.45Å; K133-E139 HydrophobicContact CG-CG 4Å; K133-E139 IonicContact NZ-OE1 3.69Å; K133-E139 PolarHBondContact NZ-OE1 2.88Å | ||
| 140 | V | 94 | Very high | 92.7 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 22% | 0.218 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 120.3 | -173.8 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | R119 Q138 | R119-V140 HydrophobicContact CG-CG2 4.09Å; Q138-V140 PolarHBondContact NE2-O 3.49Å |
| 141 | I | 95 | Very high | 92.6 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.6 | 176 | -64.4 | 166 | 0 | 0 | 0 | 108.7 | S117 Y118 L120 W132 K153 L155 | S117-I141 CarbonylContact C-O 3.54Å; S117-I141 WeakPolarHBondContact CA-O 3.2Å; S117-I141 VanDerWaalsContact CB-O 3.24Å; S117-I141 WeakPolarHBondContact CB-O 3.46Å; Y118-I141 HydrophobicContact CD1-CG2 4.49Å; Y118-I141 HydrophobicContact CD2-CB 4.11Å; Y118-I141 HydrophobicContact CD2-CD1 4.12Å; Y118-I141 HydrophobicContact CD2-CG2 4.38Å; Y118-I141 HydrophobicContact CE1-CB 4.41Å; Y118-I141 HydrophobicContact CE1-CG2 3.82Å; Y118-I141 HydrophobicContact CE2-CB 3.84Å; Y118-I141 HydrophobicContact CE2-CD1 3.63Å; Y118-I141 HydrophobicContact CE2-CG1 4.35Å; Y118-I141 HydrophobicContact CE2-CG2 3.69Å; Y118-I141 PolarHBondContact N-O 3.12Å; Y118-I141 PolarHBondContact O-N 3.44Å; Y118-I141 WeakPolarHBondContact OH-CG2 3.29Å; L120-I141 HydrophobicContact CD1-CD1 3.65Å; L120-I141 HydrophobicContact CG-CD1 3.8Å; W132-I141 HydrophobicContact CE3-CD1 3.82Å; W132-I141 HydrophobicContact CE3-CG1 4.14Å; W132-I141 HydrophobicContact CH2-CG1 4.49Å; W132-I141 HydrophobicContact CZ3-CD1 3.69Å; W132-I141 HydrophobicContact CZ3-CG1 3.62Å; I141-K153 HydrophobicContact CD1-CG 4.32Å; I141-K153 HydrophobicContact CG1-CG 4.34Å; I141-K153 HydrophobicContact CG2-CB 3.95Å; I141-K153 HydrophobicContact CG2-CD 4.02Å; I141-K153 HydrophobicContact CG2-CG 3.62Å; I141-L155 HydrophobicContact CD1-CD2 4.25Å |
| 142 | S | 93.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 128.9 | 167 | -55 | 0 | 0 | 0 | 0 | 110.1 | ||
| 143 | G | 92.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 58 Ų | 58 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | trans | -105.8 | -135.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R116 | R116-G143 PolarHBondContact O-N 2.82Š| ||
| 144 | N | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -86.1 | 146.3 | -170.6 | -56.2 | 88.1 | 0 | 0 | 0 | 112.9 | T102 Q103 F114 S115 R116 D146 G149 | T102-N144 VanDerWaalsContact C-OD1 3.31Å; T102-N144 WeakPolarHBondContact CB-OD1 3.48Å; T102-N144 PolarHBondContact O-ND2 2.93Å; T102-N144 PolarHBondContact O-OD1 3.18Å; T102-N144 PolarHBondContact OG1-OD1 3.28Å; Q103-N144 WeakPolarHBondContact CA-ND2 3.5Å; Q103-N144 PolarHBondContact N-OD1 2.88Å; F114-N144 HydrophobicContact CB-CB 4.32Å; F114-N144 HydrophobicContact CD2-CB 4.16Å; F114-N144 WeakPolarHBondContact CD2-O 3.4Å; F114-N144 VanDerWaalsContact CE2-O 3.23Å; F114-N144 WeakPolarHBondContact CE2-O 3.42Å; S115-N144 PolarHBondContact O-N 2.86Å; R116-N144 WeakPolarHBondContact CA-O 3.49Å; N144-D146 WeakPolarHBondContact CB-O 3.3Å; N144-G149 PolarHBondContact ND2-O 3.46Å | ||
| 145 | E | 91.3 | Very high | 92.3 | Very high | 120 Ų | 120 | 56.7 Ų | 56.7 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -99.5 | -8.6 | 169 | -76.5 | -62.6 | 154.2 | 0 | 0 | 113.4 | F114 R116 | F114-E145 VanDerWaalsContact CE2-O 3.3Å; F114-E145 WeakPolarHBondContact CE2-O 3.29Å; F114-E145 VanDerWaalsContact CZ-C 3.45Å; F114-E145 WeakPolarHBondContact CZ-O 3.33Å; R116-E145 IonicContact CZ-OE2 2.79Å; R116-E145 IonicContact NH1-OE1 3.19Å; R116-E145 PolarHBondContact NH1-OE1 3.32Å; R116-E145 IonicContact NH1-OE2 3.37Å; R116-E145 PolarHBondContact NH1-OE2 2.97Å; R116-E145 IonicContact NH2-OE2 3.16Å; R116-E145 PolarHBondContact NH2-OE2 3.42Å |
| 146 | D | 90.3 | Very high | 92.4 | Very high | 72 Ų | 72 | 57 Ų | 57 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -147.3 | 173.6 | 177.3 | 73.5 | 78.5 | 0 | 0 | 0 | 111.8 | N144 E148 G149 | N144-D146 WeakPolarHBondContact CB-O 3.3Å; D146-E148 WeakPolarHBondContact OD1-CA 3.33Å; D146-E148 PolarHBondContact OD1-N 3.11Å; D146-G149 PolarHBondContact OD1-N 2.84Å |
| 147 | P | 89.3 | Confident | 92.5 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 16% | 0.156 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -82.7 | -10.2 | -175.3 | -9.1 | 26.9 | 0 | 0 | 0 | 116.1 | G104 R105 G111 F114 R179 | G104-P147 CarbonylContact C-O 3.58Å; G104-P147 WeakPolarHBondContact CA-O 3.34Å; G104-P147 PolarHBondContact N-O 2.7Å; R105-P147 WeakPolarHBondContact O-CB 3.32Å; G111-P147 WeakPolarHBondContact O-CG 3.38Å; F114-P147 HydrophobicContact CD1-CG 4.01Å; F114-P147 HydrophobicContact CE1-CG 4.4Å; P147-R179 PolarHBondContact O-NH2 3.08Å |
| 148 | E | 90.2 | Very high | 92.8 | Very high | 121 Ų | 121 | 50.9 Ų | 50.9 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -112.9 | -45 | -165.6 | -173.2 | 172.7 | 148.8 | 0 | 0 | 112.5 | Q103 H106 D146 V150 | Q103-E148 WeakPolarHBondContact CG-O 3.49Å; Q103-E148 PolarHBondContact NE2-O 2.82Å; H106-E148 IonicContact CE1-OE2 2.72Å; H106-E148 PolarHBondContact CE1-OE2 2.77Å; H106-E148 IonicContact ND1-OE2 3.85Å; H106-E148 PolarHBondContact ND1-OE2 2.8Å; D146-E148 WeakPolarHBondContact OD1-CA 3.33Å; D146-E148 PolarHBondContact OD1-N 3.11Å; E148-V150 PolarHBondContact O-N 2.94Å |
| 149 | G | 90.1 | Very high | 93 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | trans | -64.5 | 131 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | N144 D146 | N144-G149 PolarHBondContact ND2-O 3.46Å; D146-G149 PolarHBondContact OD1-N 2.84Å | ||
| 150 | V | 93.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 35% | 0.345 | 25% | 0.25 | S | C | . | . | trans | -78.6 | 125.2 | 169.8 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | L64 E65 Q103 E148 L152 | L64-V150 HydrophobicContact CD1-CG1 4.27Å; L64-V150 HydrophobicContact CD1-CG2 4.19Å; L64-V150 HydrophobicContact CD2-CG1 4Å; L64-V150 HydrophobicContact CD2-CG2 4.08Å; L64-V150 HydrophobicContact CG-CG2 4.18Å; E65-V150 WeakPolarHBondContact OE1-CG2 3.2Å; Q103-V150 HydrophobicContact CB-CG2 4.31Å; Q103-V150 HydrophobicContact CG-CG2 4.05Å; E148-V150 PolarHBondContact O-N 2.94Å; V150-L152 HydrophobicContact CG1-CD2 4.03Å; V150-L152 HydrophobicContact CG1-CG 4.44Å | ||
| 151 | V | 95 | Very high | 93.4 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.3 | 172.4 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | G101 T102 | G101-V151 WeakPolarHBondContact CA-O 3.12Å; T102-V151 PolarHBondContact N-O 3.04Å; T102-V151 PolarHBondContact O-N 2.82Å |
| 152 | L | 93.6 | Very high | 93.4 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 137.1 | 172.8 | -60.8 | 179.9 | 0 | 0 | 0 | 110.1 | V150 Y183 A409 | V150-L152 HydrophobicContact CG1-CD2 4.03Å; V150-L152 HydrophobicContact CG1-CG 4.44Å; L152-Y183 HydrophobicContact CD2-CD2 4.33Å; L152-Y183 HydrophobicContact CD2-CE2 3.56Å; L152-A409 HydrophobicContact CD1-CB 4.14Å |
| 153 | K | 95.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 40 Ų | 40 | 27% | 0.265 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.9 | 171.3 | 173.9 | 65.4 | 176.5 | 174.2 | 0 | 109.7 | L99 V100 I141 L155 | L99-K153 VanDerWaalsContact CA-O 3.23Å; L99-K153 WeakPolarHBondContact CA-O 3.37Å; L99-K153 WeakPolarHBondContact CB-O 3.21Å; V100-K153 HydrophobicContact CG2-CB 4.24Å; V100-K153 PolarHBondContact N-O 3Å; V100-K153 VanDerWaalsContact N-O 3.08Å; V100-K153 PolarHBondContact O-N 2.73Å; I141-K153 HydrophobicContact CD1-CG 4.32Å; I141-K153 HydrophobicContact CG1-CG 4.34Å; I141-K153 HydrophobicContact CG2-CB 3.95Å; I141-K153 HydrophobicContact CG2-CD 4.02Å; I141-K153 HydrophobicContact CG2-CG 3.62Å; K153-L155 HydrophobicContact CG-CD2 4.13Å |
| 154 | D | 92.7 | Very high | 94 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 131.2 | 162.4 | -83.7 | -80.4 | 0 | 0 | 0 | 110.9 | R32 | R32-D154 IonicContact CZ-OD1 3.71Å; R32-D154 IonicContact NH1-OD1 3.45Å; R32-D154 PolarHBondContact NH1-OD1 3.03Å; R32-D154 VanDerWaalsContact NH2-CG 3.33Å; R32-D154 IonicContact NH2-OD1 3.87Å; R32-D154 PolarHBondContact NH2-OD1 3.1Å; R32-D154 IonicContact NH2-OD2 2.74Å; R32-D154 PolarHBondContact NH2-OD2 2.88Å; R32-D154 VanDerWaalsContact NH2-OD2 3.16Å |
| 155 | L | 94.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 97.8 | 175.2 | -56.7 | -179.2 | 0 | 0 | 0 | 108.4 | V97 A98 V100 L120 W132 I141 K153 P157 P158 M159 | V97-L155 HydrophobicContact CG1-CD1 4.05Å; A98-L155 WeakPolarHBondContact O-CB 3.41Å; A98-L155 PolarHBondContact O-N 2.87Å; V100-L155 HydrophobicContact CG1-CD1 4.39Å; L120-L155 HydrophobicContact CD1-CD1 4Å; L120-L155 HydrophobicContact CD1-CD2 3.72Å; W132-L155 HydrophobicContact CD2-CD2 4.16Å; W132-L155 HydrophobicContact CE3-CD2 4.47Å; W132-L155 HydrophobicContact CH2-CD2 3.97Å; W132-L155 HydrophobicContact CZ2-CB 3.98Å; W132-L155 HydrophobicContact CZ2-CD2 3.66Å; W132-L155 HydrophobicContact CZ2-CG 4.43Å; W132-L155 HydrophobicContact CZ3-CD2 4.39Å; I141-L155 HydrophobicContact CD1-CD2 4.25Å; K153-L155 HydrophobicContact CG-CD2 4.13Å; L155-P157 VanDerWaalsContact C-C 3.45Å; L155-P157 CarbonylContact C-O 3.54Å; L155-P157 VanDerWaalsContact C-O 3.26Å; L155-P157 CarbonylContact O-C 3.55Å; L155-P158 WeakPolarHBondContact O-CA 3.13Å; L155-M159 HydrophobicContact CD1-CE 3.76Å; L155-M159 HydrophobicContact CD1-CG 4.23Å; L155-M159 HydrophobicContact CD1-SD 4.26Å |
| 156 | G | 92.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 24% | 0.237 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D134 R135 | D134-G156 CarbonylContact C-O 3.59Å; D134-G156 WeakPolarHBondContact CA-O 3.47Å; D134-G156 WeakPolarHBondContact CB-O 3.46Å; R135-G156 PolarHBondContact N-O 2.75Å |
| 157 | P | 94.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -70.4 | 156.4 | -2.7 | 33.2 | -37.7 | 0 | 0 | 0 | 112.9 | W132 K133 L155 T214 | W132-P157 PolarHBondContact NE1-O 3.33Å; K133-P157 WeakPolarHBondContact O-CD 3.2Å; L155-P157 VanDerWaalsContact C-C 3.45Å; L155-P157 CarbonylContact C-O 3.54Å; L155-P157 VanDerWaalsContact C-O 3.26Å; L155-P157 CarbonylContact O-C 3.55Å; P157-T214 HydrophobicContact CB-CG2 3.96Å; P157-T214 HydrophobicContact CG-CG2 3.74Å |
| 158 | P | 94.6 | Very high | 95.2 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 163.5 | 168.7 | 31.9 | -35.9 | 0 | 0 | 0 | 110.4 | L96 A98 L155 D233 | L96-P158 HydrophobicContact CD1-CB 3.87Å; L96-P158 HydrophobicContact CD1-CG 4Å; L96-P158 HydrophobicContact CD2-CB 4.11Å; L96-P158 HydrophobicContact CD2-CG 4.32Å; L96-P158 HydrophobicContact CG-CB 3.96Å; L96-P158 HydrophobicContact CG-CG 4.44Å; A98-P158 HydrophobicContact CB-CB 4.32Å; L155-P158 WeakPolarHBondContact O-CA 3.13Å; P158-D233 HydrophobicContact CG-CB 4.48Å; P158-D233 VanDerWaalsContact CG-O 3.29Å; P158-D233 WeakPolarHBondContact CG-O 3.45Å |
| 159 | M | 95.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.1 | -177.8 | 61.2 | -177.5 | -178.3 | 0 | 0 | 112.8 | V97 L120 Y122 L155 A161 V164 | V97-M159 HydrophobicContact CB-CE 3.84Å; V97-M159 HydrophobicContact CB-CG 3.95Å; V97-M159 HydrophobicContact CG1-CE 3.77Å; V97-M159 HydrophobicContact CG2-CE 4.34Å; V97-M159 PolarHBondContact N-O 2.68Å; V97-M159 PolarHBondContact O-N 3.31Å; L120-M159 HydrophobicContact CD1-CE 4.04Å; Y122-M159 HydrophobicContact CD1-CB 4.11Å; Y122-M159 HydrophobicContact CD1-CG 4.42Å; Y122-M159 HydrophobicContact CD1-SD 3.54Å; Y122-M159 VanDerWaalsContact CD1-SD 3.54Å; Y122-M159 HydrophobicContact CD2-CB 4.12Å; Y122-M159 HydrophobicContact CE1-CB 4.05Å; Y122-M159 HydrophobicContact CE1-SD 4.25Å; Y122-M159 HydrophobicContact CE2-CB 4.05Å; Y122-M159 HydrophobicContact CG-CB 4.15Å; Y122-M159 HydrophobicContact CG-CG 4.38Å; Y122-M159 HydrophobicContact CG-SD 3.74Å; L155-M159 HydrophobicContact CD1-CE 3.76Å; L155-M159 HydrophobicContact CD1-CG 4.23Å; L155-M159 HydrophobicContact CD1-SD 4.26Å; M159-A161 PolarHBondContact O-N 3.31Å; M159-V164 HydrophobicContact CE-CB 4.43Å; M159-V164 HydrophobicContact CE-CG1 3.71Å; M159-V164 HydrophobicContact CE-CG2 3.77Å |
| 160 | V | 96.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 109.9 | 171 | -178 | 0 | 0 | 0 | 0 | 109.1 | H95 L96 R124 W187 L228 | H95-V160 WeakPolarHBondContact O-CA 2.99Å; L96-V160 HydrophobicContact CD1-CG2 3.69Å; R124-V160 WeakPolarHBondContact CD-O 3.39Å; R124-V160 WeakPolarHBondContact CG-O 3.37Å; R124-V160 PolarHBondContact NH1-O 3.24Å; V160-W187 HydrophobicContact CG1-CB 4.44Å; V160-W187 HydrophobicContact CG1-CD2 3.77Å; V160-W187 HydrophobicContact CG1-CE3 4.36Å; V160-W187 HydrophobicContact CG1-CG 3.78Å; V160-W187 HydrophobicContact CG1-CZ2 4.48Å; V160-W187 HydrophobicContact CG2-CD2 4Å; V160-W187 HydrophobicContact CG2-CE3 3.83Å; V160-W187 HydrophobicContact CG2-CH2 3.8Å; V160-W187 HydrophobicContact CG2-CZ2 3.96Å; V160-W187 HydrophobicContact CG2-CZ3 3.73Å; V160-L228 HydrophobicContact CB-CD1 3.76Å; V160-L228 HydrophobicContact CG1-CD1 3.97Å; V160-L228 HydrophobicContact CG2-CD1 4Å |
| 161 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L94 H95 Y122 M159 V164 | L94-A161 WeakPolarHBondContact CA-O 3.45Å; H95-A161 PolarHBondContact N-O 3.44Å; H95-A161 PolarHBondContact O-N 2.91Å; Y122-A161 HydrophobicContact CD2-CB 4.24Å; Y122-A161 HydrophobicContact CG-CB 4.44Å; M159-A161 PolarHBondContact O-N 3.31Å; A161-V164 HydrophobicContact CB-CG2 3.88Å |
| 162 | R | 96.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 29.1 Ų | 29.1 | 23% | 0.226 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -41.2 | 163.4 | -168.3 | -173.3 | 85.2 | 75.5 | 11.5 | 110.5 | D90 L91 Q92 L94 S123 | D90-R162 IonicContact OD1-CZ 2.66Å; D90-R162 IonicContact OD1-NH1 3.36Å; D90-R162 PolarHBondContact OD1-NH1 2.97Å; D90-R162 IonicContact OD1-NH2 2.86Å; D90-R162 IonicContact OD2-CZ 3.5Å; D90-R162 IonicContact OD2-NH1 3.15Å; D90-R162 PolarHBondContact OD2-NH1 3.1Å; D90-R162 IonicContact OD2-NH2 3.66Å; D90-R162 PolarHBondContact OD2-NH2 2.84Å; L91-R162 WeakPolarHBondContact CB-O 3.25Å; L91-R162 PolarHBondContact N-O 3.2Å; Q92-R162 WeakPolarHBondContact O-CD 3.13Å; L94-R162 HydrophobicContact CD2-CB 4.11Å; S123-R162 PolarHBondContact O-N 3.07Å |
| 163 | L | 98.3 | Very high | 93 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.3 | 173.4 | -41.8 | 90.1 | 0 | 0 | 0 | 110.2 | V89 D90 Y122 S123 W129 | V89-L163 WeakPolarHBondContact O-CA 3.41Å; D90-L163 HydrophobicContact CB-CD2 4.4Å; D90-L163 HydrophobicContact CB-CG 4.47Å; Y122-L163 VanDerWaalsContact CA-O 3.32Å; Y122-L163 WeakPolarHBondContact CA-O 3.48Å; S123-L163 PolarHBondContact N-O 2.94Å; S123-L163 PolarHBondContact O-N 2.86Å; W129-L163 HydrophobicContact CH2-CB 3.56Å; W129-L163 HydrophobicContact CH2-CD2 4.3Å; W129-L163 HydrophobicContact CH2-CG 4.45Å; W129-L163 HydrophobicContact CZ2-CB 4.18Å; W129-L163 HydrophobicContact CZ2-CD2 4.19Å; W129-L163 HydrophobicContact CZ3-CB 4.3Å |
| 164 | V | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.8 | 175.8 | 179.4 | 0 | 0 | 0 | 0 | 109 | Q88 V89 V97 L120 R121 M159 A161 F166 L182 | Q88-V164 WeakPolarHBondContact CA-O 3.31Å; V89-V164 PolarHBondContact N-O 2.7Å; V89-V164 PolarHBondContact O-N 3.18Å; V97-V164 HydrophobicContact CG2-CG2 4.32Å; L120-V164 HydrophobicContact CD2-CG1 4.04Å; R121-V164 CarbonylContact O-C 3.51Å; M159-V164 HydrophobicContact CE-CB 4.43Å; M159-V164 HydrophobicContact CE-CG1 3.71Å; M159-V164 HydrophobicContact CE-CG2 3.77Å; A161-V164 HydrophobicContact CB-CG2 3.88Å; V164-F166 HydrophobicContact CG1-CD2 4.41Å; V164-F166 HydrophobicContact CG1-CE2 4.06Å; V164-L182 HydrophobicContact CB-CD2 3.77Å; V164-L182 HydrophobicContact CG1-CD2 3.98Å; V164-L182 HydrophobicContact CG2-CD2 3.69Å |
| 165 | R | 98.6 | Very high | 92 | Very high | 37 Ų | 37 | 28.9 Ų | 28.9 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.7 | 173.8 | -79.1 | 177.3 | -175 | -169.2 | -1.9 | 111.1 | Y86 L87 Q88 L120 R121 W129 Y167 | Y86-R165 HydrophobicContact CD2-CG 3.73Å; Y86-R165 HydrophobicContact CE2-CG 4.3Å; Y86-R165 HydrophobicContact CG-CG 4.26Å; Y86-R165 PolarHBondContact OH-NH2 3Å; L87-R165 CarbonylContact O-C 3.57Å; L87-R165 WeakPolarHBondContact O-CA 3.46Å; Q88-R165 HydrophobicContact CB-CG 3.83Å; Q88-R165 HydrophobicContact CG-CG 3.93Å; Q88-R165 VanDerWaalsContact OE1-CZ 3.26Å; L120-R165 WeakPolarHBondContact CA-O 3.37Å; R121-R165 HydrophobicContact CB-CB 4.4Å; R121-R165 PolarHBondContact N-O 3.27Å; R121-R165 PolarHBondContact O-N 2.97Å; W129-R165 HydrophobicContact CE3-CG 4.31Å; W129-R165 HydrophobicContact CH2-CG 3.62Å; W129-R165 VanDerWaalsContact CH2-NE 3.32Å; W129-R165 HydrophobicContact CZ3-CB 4Å; W129-R165 HydrophobicContact CZ3-CG 3.5Å; R165-Y167 HydrophobicContact CB-CD2 3.96Å; R165-Y167 HydrophobicContact CB-CE2 3.53Å; R165-Y167 WeakPolarHBondContact CD-OH 3.46Å; R165-Y167 HydrophobicContact CG-CE2 4.27Å; R165-Y167 PolarHBondContact NH1-OH 2.79Å; R165-Y167 VanDerWaalsContact NH1-OH 3.16Å |
| 166 | F | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110.7 | 166.7 | -63.2 | -105 | 0 | 0 | 0 | 107.5 | Y86 L87 V100 T102 Y118 L120 V164 P168 L178 V180 L182 | Y86-F166 VanDerWaalsContact CA-O 3.25Å; Y86-F166 WeakPolarHBondContact CA-O 3.45Å; L87-F166 HydrophobicContact CB-CB 4.39Å; L87-F166 PolarHBondContact N-O 3.27Å; L87-F166 PolarHBondContact O-N 3.04Å; V100-F166 HydrophobicContact CB-CE1 3.79Å; V100-F166 HydrophobicContact CB-CZ 3.93Å; V100-F166 HydrophobicContact CG1-CE1 3.86Å; V100-F166 HydrophobicContact CG1-CZ 3.6Å; V100-F166 HydrophobicContact CG2-CE1 4.1Å; T102-F166 HydrophobicContact CG2-CD1 4.17Å; T102-F166 HydrophobicContact CG2-CE1 4.04Å; Y118-F166 HydrophobicContact CD2-CD1 4.14Å; Y118-F166 HydrophobicContact CE2-CD1 4.12Å; Y118-F166 HydrophobicContact CE2-CE1 4.36Å; L120-F166 HydrophobicContact CD2-CD1 3.58Å; L120-F166 HydrophobicContact CD2-CD2 4.31Å; L120-F166 HydrophobicContact CD2-CE1 3.72Å; L120-F166 HydrophobicContact CD2-CE2 4.41Å; L120-F166 HydrophobicContact CD2-CG 3.9Å; L120-F166 HydrophobicContact CD2-CZ 4.14Å; V164-F166 HydrophobicContact CG1-CD2 4.41Å; V164-F166 HydrophobicContact CG1-CE2 4.06Å; F166-P168 WeakPolarHBondContact O-CD 3.43Å; F166-L178 HydrophobicContact CB-CD1 3.91Å; F166-V180 HydrophobicContact CD1-CB 4.5Å; F166-V180 HydrophobicContact CD1-CG1 3.9Å; F166-V180 HydrophobicContact CD2-CG1 4.26Å; F166-V180 HydrophobicContact CD2-CG2 4.26Å; F166-V180 HydrophobicContact CE1-CB 4.05Å; F166-V180 HydrophobicContact CE1-CG1 3.93Å; F166-V180 HydrophobicContact CE2-CB 4.13Å; F166-V180 HydrophobicContact CE2-CG1 4.32Å; F166-V180 HydrophobicContact CE2-CG2 3.85Å; F166-V180 HydrophobicContact CG-CG1 4.07Å; F166-V180 HydrophobicContact CZ-CB 3.85Å; F166-V180 HydrophobicContact CZ-CG1 4.14Å; F166-V180 HydrophobicContact CZ-CG2 4.06Å; F166-L182 HydrophobicContact CE2-CD1 4.13Å; F166-L182 HydrophobicContact CE2-CD2 4.47Å; F166-L182 HydrophobicContact CE2-CG 4.28Å; F166-L182 HydrophobicContact CZ-CD1 4.33Å; F166-L182 HydrophobicContact CZ-CG 4.18Å |
| 167 | Y | 97.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 27.8 Ų | 27.8 | 13% | 0.125 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 95.2 | 169.4 | -76 | -97 | 0 | 0 | 0 | 107.4 | E83 E85 Y86 Y118 R119 R121 R165 | E83-Y167 WeakPolarHBondContact O-CD1 3.5Å; E85-Y167 VanDerWaalsContact O-CD1 3.3Å; E85-Y167 WeakPolarHBondContact O-CD1 3.24Å; Y86-Y167 HydrophobicContact CD1-CD1 4.48Å; Y86-Y167 AromaticContact CD1-CE1 3.64Å; Y86-Y167 HydrophobicContact CD1-CE1 3.64Å; Y86-Y167 AromaticContact CD1-CZ 3.7Å; Y86-Y167 HydrophobicContact CG-CE1 4.05Å; Y86-Y167 HydrophobicContact CG-CE2 4.38Å; Y86-Y167 AromaticContact CG-CZ 3.89Å; Y118-Y167 CarbonylContact C-O 3.58Å; Y118-Y167 WeakPolarHBondContact CA-O 3.48Å; Y118-Y167 WeakPolarHBondContact CB-O 3.5Å; R119-Y167 PolarHBondContact N-O 2.93Å; R119-Y167 PolarHBondContact O-N 3.01Å; R121-Y167 HydrophobicContact CB-CD2 4.32Å; R121-Y167 HydrophobicContact CB-CE2 3.89Å; R121-Y167 VanDerWaalsContact CD-CE2 3.5Å; R121-Y167 HydrophobicContact CG-CD2 3.84Å; R121-Y167 HydrophobicContact CG-CE2 3.62Å; R165-Y167 HydrophobicContact CB-CD2 3.96Å; R165-Y167 HydrophobicContact CB-CE2 3.53Å; R165-Y167 WeakPolarHBondContact CD-OH 3.46Å; R165-Y167 HydrophobicContact CG-CE2 4.27Å; R165-Y167 PolarHBondContact NH1-OH 2.79Å; R165-Y167 VanDerWaalsContact NH1-OH 3.16Å |
| 168 | P | 96.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 149.4 | 173.8 | 27 | -37.2 | 0 | 0 | 0 | 109.8 | W73 P75 V79 E85 S115 F166 V176 L178 | W73-P168 HydrophobicContact CH2-CG 3.94Å; W73-P168 HydrophobicContact CZ3-CG 3.95Å; P75-P168 HydrophobicContact CG-CG 4.34Å; V79-P168 WeakPolarHBondContact CG1-O 3.46Å; V79-P168 HydrophobicContact CG2-CG 4.25Å; E85-P168 WeakPolarHBondContact O-CD 3.37Å; S115-P168 WeakPolarHBondContact OG-CB 3.48Å; F166-P168 WeakPolarHBondContact O-CD 3.43Å; P168-V176 HydrophobicContact CB-CG2 4.05Å; P168-V176 HydrophobicContact CG-CG2 4.42Å; P168-L178 HydrophobicContact CB-CD1 4.04Å |
| 169 | R | 92 | Very high | 92.5 | Very high | 70 Ų | 70 | 26.9 Ų | 26.9 | 26% | 0.264 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.1 | -176.5 | -177.1 | 175 | -165.3 | -84.9 | -25 | 111.4 | E83 S117 | E83-R169 VanDerWaalsContact CD-NE 3.28Å; E83-R169 HydrophobicContact CG-CG 4.36Å; E83-R169 IonicContact OE1-CZ 2.71Å; E83-R169 IonicContact OE1-NE 3.22Å; E83-R169 PolarHBondContact OE1-NE 2.91Å; E83-R169 IonicContact OE1-NH2 3.18Å; E83-R169 PolarHBondContact OE1-NH2 3.26Å; E83-R169 IonicContact OE2-NE 3.57Å; E83-R169 PolarHBondContact OE2-NE 2.8Å; E83-R169 VanDerWaalsContact OE2-NE 3.16Å; S117-R169 WeakPolarHBondContact O-CA 3.1Å; S117-R169 WeakPolarHBondContact O-CB 3.47Å; S117-R169 PolarHBondContact O-N 2.8Å; S117-R169 WeakPolarHBondContact OG-CB 3.05Å; S117-R169 PolarHBondContact OG-O 3.15Å |
| 170 | A | 85 | Confident | 92.6 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | trans | -121.2 | 132.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V79 F80 R172 M174 V176 | V79-A170 HydrophobicContact CB-CB 4.43Å; F80-A170 HydrophobicContact CB-CB 4.43Å; A170-R172 WeakPolarHBondContact CB-O 3.5Å; A170-R172 PolarHBondContact O-N 3.15Å; A170-M174 HydrophobicContact CB-CG 3.99Å; A170-V176 HydrophobicContact CB-CG1 3.93Å | ||
| 171 | D | 79.3 | Confident | 92.7 | Very high | 58 Ų | 58 | 26.4 Ų | 26.4 | 31% | 0.31 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -81.9 | 0.3 | 177.8 | 72 | -50.7 | 0 | 0 | 0 | 113.4 | K634 | D171-K634 VanDerWaalsContact OD2-CE 3.23Å; D171-K634 WeakPolarHBondContact OD2-CE 3.46Å; D171-K634 IonicContact OD2-NZ 3.81Å; D171-K634 PolarHBondContact OD2-NZ 3.4Å |
| 172 | R | 77.7 | Confident | 92.7 | Very high | 52 Ų | 52 | 26.4 Ų | 26.4 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -163 | 168.7 | -173.8 | 58.9 | -166.3 | 144.8 | 175.5 | -2.3 | 109.2 | F80 A170 M174 N630 | F80-R172 VanDerWaalsContact CB-O 3.3Å; F80-R172 WeakPolarHBondContact CB-O 3.36Å; A170-R172 WeakPolarHBondContact CB-O 3.5Å; A170-R172 PolarHBondContact O-N 3.15Å; R172-M174 HydrophobicContact CG-CB 4.36Å; R172-M174 HydrophobicContact CG-CG 4.05Å; R172-M174 HydrophobicContact CG-SD 4.1Å; R172-M174 PolarHBondContact O-N 3.17Å; R172-N630 WeakPolarHBondContact CD-OD1 3.46Å; R172-N630 PolarHBondContact NH1-ND2 3.31Å; R172-N630 PolarHBondContact NH1-OD1 3.24Å |
| 173 | V | 81.6 | Confident | 92.7 | Very high | 97 Ų | 97 | 24.4 Ų | 24.4 | 59% | 0.588 | 12% | 0.123 | S | C | * | . | S | Bend | trans | -67.6 | 104.9 | 167.5 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | F80 | F80-V173 HydrophobicContact CD1-CG2 3.82Š|
| 174 | M | 80.2 | Confident | 92.5 | Very high | 45 Ų | 45 | 24 Ų | 24 | 22% | 0.222 | 12% | 0.12 | C | C | . | . | trans | -146.4 | 146.2 | 170.5 | 56 | 178.7 | -75.6 | 0 | 0 | 108.4 | A170 R172 V176 | A170-M174 HydrophobicContact CB-CG 3.99Å; R172-M174 HydrophobicContact CG-CB 4.36Å; R172-M174 HydrophobicContact CG-CG 4.05Å; R172-M174 HydrophobicContact CG-SD 4.1Å; R172-M174 PolarHBondContact O-N 3.17Å; M174-V176 HydrophobicContact CE-CG1 4.09Å; M174-V176 HydrophobicContact CG-CG1 4.09Å; M174-V176 PolarHBondContact O-N 2.81Å | ||
| 175 | S | 87.1 | Confident | 92.1 | Very high | 73 Ų | 73 | 25.5 Ų | 25.5 | 51% | 0.51 | 13% | 0.131 | S | C | . | . | trans | -65.2 | 119 | 169 | -56.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 176 | V | 93.4 | Very high | 91.8 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | trans | -109.6 | 143.8 | 172.6 | -66.6 | 0 | 0 | 0 | 0 | 108.5 | P75 V79 P168 A170 M174 | P75-V176 WeakPolarHBondContact CD-O 3.47Å; P75-V176 HydrophobicContact CG-CG2 4.49Å; V79-V176 HydrophobicContact CB-CG2 4.12Å; V79-V176 HydrophobicContact CG2-CG2 3.41Å; V79-V176 VanDerWaalsContact CG2-CG2 3.41Å; P168-V176 HydrophobicContact CB-CG2 4.05Å; P168-V176 HydrophobicContact CG-CG2 4.42Å; A170-V176 HydrophobicContact CB-CG1 3.93Å; M174-V176 HydrophobicContact CE-CG1 4.09Å; M174-V176 HydrophobicContact CG-CG1 4.09Å; M174-V176 PolarHBondContact O-N 2.81Å | ||
| 177 | C | 96.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | trans | -134.7 | 159.8 | 174.4 | -58 | 0 | 0 | 0 | 0 | 108.7 | A72 W73 C74 R105 E113 S115 | A72-C177 HydrophobicContact CB-CB 3.78Å; W73-C177 CarbonylContact O-C 3.58Å; W73-C177 WeakPolarHBondContact O-CA 3.28Å; W73-C177 VanDerWaalsContact O-CB 3.23Å; W73-C177 WeakPolarHBondContact O-CB 3.46Å; C74-C177 HydrophobicContact CB-CB 4.11Å; C74-C177 WeakPolarHBondContact CB-SG 3.09Å; C74-C177 WeakPolarHBondContact SG-CB 3.42Å; C74-C177 CovalentContact SG-SG 2.04Å; C74-C177 PolarHBondContact SG-SG 2.81Å; R105-C177 HydrophobicContact CB-CB 3.86Å; E113-C177 HydrophobicContact CB-CB 4.26Å; E113-C177 VanDerWaalsContact CB-SG 3.54Å; S115-C177 PolarHBondContact N-O 3.1Å; S115-C177 PolarHBondContact OG-O 2.87Å; S115-C177 VanDerWaalsContact OG-O 3.1Å | ||
| 178 | L | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -137.5 | 133.1 | 174.3 | -80.3 | 174.4 | 0 | 0 | 0 | 110.9 | S62 W73 T102 S115 F166 P168 V180 | S62-L178 WeakPolarHBondContact CA-O 3.42Å; W73-L178 HydrophobicContact CE3-CB 4.1Å; W73-L178 HydrophobicContact CZ3-CB 4.4Å; W73-L178 HydrophobicContact CZ3-CD1 4.31Å; W73-L178 PolarHBondContact N-O 2.9Å; W73-L178 PolarHBondContact O-N 3.25Å; T102-L178 HydrophobicContact CG2-CD2 4Å; S115-L178 WeakPolarHBondContact OG-CG 3.1Å; F166-L178 HydrophobicContact CB-CD1 3.91Å; P168-L178 HydrophobicContact CB-CD1 4.04Å; L178-V180 HydrophobicContact CB-CG1 4.02Å; L178-V180 HydrophobicContact CD1-CG1 4.31Å; L178-V180 HydrophobicContact CD2-CG1 4.35Å; L178-V180 HydrophobicContact CG-CG1 4.47Å |
| 179 | R | 97.9 | Very high | 90.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 5% | 0.045 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.5 | 145.6 | -70.8 | 178.3 | -69.6 | 154.6 | 9.4 | 107.7 | S62 R63 S66 G71 A72 T102 Q103 G104 P147 | S62-R179 CarbonylContact O-C 3.24Å; S62-R179 VanDerWaalsContact O-CA 3.24Å; S62-R179 WeakPolarHBondContact O-CA 3.44Å; R63-R179 VanDerWaalsContact O-CD 3.27Å; R63-R179 WeakPolarHBondContact O-CD 3.18Å; R63-R179 WeakPolarHBondContact O-CG 3.45Å; S66-R179 VanDerWaalsContact O-CD 3.32Å; S66-R179 WeakPolarHBondContact O-CD 3.32Å; S66-R179 PolarHBondContact O-NH1 2.78Å; G71-R179 VanDerWaalsContact O-CD 3.28Å; G71-R179 WeakPolarHBondContact O-CD 3.49Å; G71-R179 PolarHBondContact O-NE 2.81Å; A72-R179 HydrophobicContact CB-CG 3.99Å; T102-R179 CarbonylContact C-O 3.47Å; T102-R179 WeakPolarHBondContact CA-O 3.38Å; Q103-R179 HydrophobicContact CB-CB 4.15Å; Q103-R179 VanDerWaalsContact CD-CZ 3.41Å; Q103-R179 PolarHBondContact N-O 3.07Å; Q103-R179 PolarHBondContact O-N 2.9Å; G104-R179 VanDerWaalsContact O-CZ 3.27Å; G104-R179 PolarHBondContact O-NE 3.2Å; G104-R179 PolarHBondContact O-NH2 3.35Å; P147-R179 PolarHBondContact O-NH2 3.08Å |
| 180 | V | 98.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.3 | -174.6 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | M37 S62 L64 L87 G101 T102 F166 L178 | M37-V180 WeakPolarHBondContact CB-O 3.4Å; M37-V180 HydrophobicContact CE-CG2 3.81Å; M37-V180 HydrophobicContact CG-CG2 4.37Å; M37-V180 WeakPolarHBondContact CG-O 3.31Å; S62-V180 PolarHBondContact O-N 2.86Å; L64-V180 PolarHBondContact N-O 3.05Å; L64-V180 VanDerWaalsContact N-O 3.11Å; L87-V180 HydrophobicContact CD2-CB 4.47Å; L87-V180 HydrophobicContact CD2-CG1 3.92Å; L87-V180 HydrophobicContact CD2-CG2 3.62Å; G101-V180 CarbonylContact O-C 3.44Å; G101-V180 VanDerWaalsContact O-CA 3.24Å; G101-V180 WeakPolarHBondContact O-CA 3.34Å; T102-V180 HydrophobicContact CG2-CG1 4.15Å; F166-V180 HydrophobicContact CD1-CB 4.5Å; F166-V180 HydrophobicContact CD1-CG1 3.9Å; F166-V180 HydrophobicContact CD2-CG1 4.26Å; F166-V180 HydrophobicContact CD2-CG2 4.26Å; F166-V180 HydrophobicContact CE1-CB 4.05Å; F166-V180 HydrophobicContact CE1-CG1 3.93Å; F166-V180 HydrophobicContact CE2-CB 4.13Å; F166-V180 HydrophobicContact CE2-CG1 4.32Å; F166-V180 HydrophobicContact CE2-CG2 3.85Å; F166-V180 HydrophobicContact CG-CG1 4.07Å; F166-V180 HydrophobicContact CZ-CB 3.85Å; F166-V180 HydrophobicContact CZ-CG1 4.14Å; F166-V180 HydrophobicContact CZ-CG2 4.06Å; L178-V180 HydrophobicContact CB-CG1 4.02Å; L178-V180 HydrophobicContact CD1-CG1 4.31Å; L178-V180 HydrophobicContact CD2-CG1 4.35Å; L178-V180 HydrophobicContact CG-CG1 4.47Å |
| 181 | E | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.8 | 162.4 | -175.7 | 57.5 | -86.5 | 0 | 0 | 108.8 | A34 G36 M37 Q38 L64 V100 G101 Y183 | A34-E181 HydrophobicContact CB-CG 4.1Å; G36-E181 PolarHBondContact N-OE1 3.5Å; M37-E181 WeakPolarHBondContact CB-OE1 3.48Å; M37-E181 WeakPolarHBondContact CG-OE1 3.36Å; M37-E181 PolarHBondContact N-OE1 2.84Å; M37-E181 PolarHBondContact N-OE2 2.89Å; Q38-E181 WeakPolarHBondContact CB-OE2 3.5Å; Q38-E181 PolarHBondContact N-OE2 2.94Å; L64-E181 HydrophobicContact CB-CB 3.87Å; L64-E181 HydrophobicContact CD2-CB 3.83Å; L64-E181 HydrophobicContact CG-CB 4.3Å; V100-E181 WeakPolarHBondContact CA-O 3.43Å; G101-E181 PolarHBondContact N-O 3.12Å; G101-E181 PolarHBondContact O-N 2.86Å; E181-Y183 HydrophobicContact CB-CE2 3.89Å; E181-Y183 HydrophobicContact CG-CD1 4.46Å; E181-Y183 HydrophobicContact CG-CD2 4.36Å; E181-Y183 HydrophobicContact CG-CE1 3.9Å; E181-Y183 HydrophobicContact CG-CE2 3.8Å |
| 182 | L | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.5 | 173 | -62 | 88.4 | 0 | 0 | 0 | 108.2 | L35 M37 V89 L91 V97 V100 V164 F166 | L35-L182 HydrophobicContact CB-CB 4.27Å; L35-L182 WeakPolarHBondContact CB-O 3.34Å; L35-L182 HydrophobicContact CD1-CB 4Å; L35-L182 HydrophobicContact CG-CB 4.36Å; L35-L182 WeakPolarHBondContact CG-O 3.41Å; L35-L182 PolarHBondContact N-O 2.91Å; M37-L182 HydrophobicContact CG-CD1 3.93Å; M37-L182 HydrophobicContact SD-CD1 4.44Å; V89-L182 HydrophobicContact CB-CD1 4.24Å; V89-L182 HydrophobicContact CG1-CD1 4.09Å; V89-L182 HydrophobicContact CG2-CD1 4.13Å; L91-L182 HydrophobicContact CD1-CD2 4.41Å; L91-L182 HydrophobicContact CD2-CD2 4.46Å; V97-L182 HydrophobicContact CG1-CB 4.29Å; V97-L182 HydrophobicContact CG1-CD2 4.27Å; V97-L182 HydrophobicContact CG2-CD2 4.35Å; V100-L182 HydrophobicContact CG1-CG 4.34Å; V164-L182 HydrophobicContact CB-CD2 3.77Å; V164-L182 HydrophobicContact CG1-CD2 3.98Å; V164-L182 HydrophobicContact CG2-CD2 3.69Å; F166-L182 HydrophobicContact CE2-CD1 4.13Å; F166-L182 HydrophobicContact CE2-CD2 4.47Å; F166-L182 HydrophobicContact CE2-CG 4.28Å; F166-L182 HydrophobicContact CZ-CD1 4.33Å; F166-L182 HydrophobicContact CZ-CG 4.18Å |
| 183 | Y | 95.8 | Very high | 93 | Very high | 18 Ų | 18 | 28.9 Ų | 28.9 | 7% | 0.071 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135 | 177.5 | -54.3 | -94.4 | 0 | 0 | 0 | 110.5 | Y33 A34 A98 L99 L152 E181 A409 | Y33-Y183 CarbonylContact O-C 3.54Å; Y33-Y183 VanDerWaalsContact O-CA 3.24Å; Y33-Y183 WeakPolarHBondContact O-CA 3.43Å; A34-Y183 HydrophobicContact CB-CD1 4.04Å; A34-Y183 HydrophobicContact CB-CE1 3.9Å; A98-Y183 PolarHBondContact N-O 2.86Å; L99-Y183 HydrophobicContact CB-CD2 4.12Å; L99-Y183 HydrophobicContact CB-CG 4.47Å; L99-Y183 HydrophobicContact CD2-CD2 4.39Å; L99-Y183 HydrophobicContact CD2-CG 4.43Å; L99-Y183 PolarHBondContact N-O 3.35Å; L99-Y183 PolarHBondContact O-N 3.43Å; L152-Y183 HydrophobicContact CD2-CD2 4.33Å; L152-Y183 HydrophobicContact CD2-CE2 3.56Å; E181-Y183 HydrophobicContact CB-CE2 3.89Å; E181-Y183 HydrophobicContact CG-CD1 4.46Å; E181-Y183 HydrophobicContact CG-CD2 4.36Å; E181-Y183 HydrophobicContact CG-CE1 3.9Å; E181-Y183 HydrophobicContact CG-CE2 3.8Å; Y183-A409 HydrophobicContact CD1-CB 3.93Å; Y183-A409 HydrophobicContact CE1-CB 3.94Å; Y183-A409 HydrophobicContact CG-CB 4.41Å |
| 184 | G | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -153.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C31 Y33 L96 | C31-G184 CarbonylContact C-O 3.6Å; C31-G184 CarbonylContact O-C 3.57Å; C31-G184 WeakPolarHBondContact O-CA 3.27Å; C31-G184 VanDerWaalsContact SG-C 3.57Å; Y33-G184 PolarHBondContact N-O 3Å; Y33-G184 PolarHBondContact O-N 3.08Å; L96-G184 CarbonylContact O-C 3.55Å; L96-G184 WeakPolarHBondContact O-CA 3.32Å |
| 185 | C | 92.1 | Very high | 94.7 | Very high | 32 Ų | 32 | 24 Ų | 24 | 22% | 0.216 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 167.3 | 170.3 | 66.7 | 0 | 0 | 0 | 0 | 110.5 | C31 Y33 H95 L96 | C31-C185 HydrophobicContact CB-CB 4.02Å; C31-C185 WeakPolarHBondContact CB-SG 3.33Å; C31-C185 VanDerWaalsContact SG-CA 3.6Å; C31-C185 WeakPolarHBondContact SG-CB 3.13Å; C31-C185 PolarHBondContact SG-N 3.49Å; C31-C185 CovalentContact SG-SG 2.04Å; C31-C185 PolarHBondContact SG-SG 3.2Å; Y33-C185 HydrophobicContact CD2-CB 4.29Å; H95-C185 CarbonylContact C-O 3.43Å; H95-C185 WeakPolarHBondContact CA-O 3.47Å; H95-C185 WeakPolarHBondContact CB-O 3.3Å; L96-C185 PolarHBondContact N-O 2.96Å; L96-C185 PolarHBondContact O-N 3.45Å; L96-C185 VanDerWaalsContact O-N 3.08Å |
| 186 | L | 91.7 | Very high | 95.2 | Very high | 46 Ų | 46 | 20.6 Ų | 20.6 | 24% | 0.241 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 133.2 | -173.6 | -161.5 | 147 | 0 | 0 | 0 | 111.9 | R188 | L186-R188 HydrophobicContact CD2-CG 4.16Å; L186-R188 PolarHBondContact O-N 3.24Å |
| 187 | W | 93.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 5% | 0.045 | 10% | 0.103 | C | C | . | . | trans | -74.6 | 87.6 | 179.9 | -169.7 | -117.7 | 0 | 0 | 0 | 110.7 | F26 L94 L96 V160 D189 L191 A232 | F26-W187 HydrophobicContact CD1-CH2 4.3Å; F26-W187 AromaticContact CD1-CZ3 3.82Å; F26-W187 HydrophobicContact CD1-CZ3 3.82Å; F26-W187 AromaticContact CE1-CH2 3.52Å; F26-W187 HydrophobicContact CE1-CH2 3.52Å; F26-W187 AromaticContact CE1-CZ3 3.35Å; F26-W187 HydrophobicContact CE1-CZ3 3.35Å; F26-W187 HydrophobicContact CE2-CZ3 4.18Å; F26-W187 HydrophobicContact CG-CZ3 4.44Å; F26-W187 AromaticContact CZ-CH2 3.84Å; F26-W187 HydrophobicContact CZ-CH2 3.84Å; F26-W187 AromaticContact CZ-CZ3 3.54Å; F26-W187 HydrophobicContact CZ-CZ3 3.54Å; L94-W187 HydrophobicContact CB-CB 3.67Å; L94-W187 HydrophobicContact CB-CG 4.16Å; L94-W187 VanDerWaalsContact O-CB 3.29Å; L94-W187 WeakPolarHBondContact O-CB 3.29Å; L94-W187 PolarHBondContact O-N 2.83Å; L96-W187 HydrophobicContact CB-CE3 4.23Å; L96-W187 HydrophobicContact CD1-CE3 4.48Å; L96-W187 HydrophobicContact CD1-CZ3 4.12Å; V160-W187 HydrophobicContact CG1-CB 4.44Å; V160-W187 HydrophobicContact CG1-CD2 3.77Å; V160-W187 HydrophobicContact CG1-CE3 4.36Å; V160-W187 HydrophobicContact CG1-CG 3.78Å; V160-W187 HydrophobicContact CG1-CZ2 4.48Å; V160-W187 HydrophobicContact CG2-CD2 4Å; V160-W187 HydrophobicContact CG2-CE3 3.83Å; V160-W187 HydrophobicContact CG2-CH2 3.8Å; V160-W187 HydrophobicContact CG2-CZ2 3.96Å; V160-W187 HydrophobicContact CG2-CZ3 3.73Å; W187-D189 HydrophobicContact CZ2-CB 4.3Å; W187-L191 HydrophobicContact CZ2-CB 4.44Å; W187-L191 PolarHBondContact NE1-O 2.82Å; W187-A232 HydrophobicContact CH2-CB 4.31Å; W187-A232 HydrophobicContact CZ2-CB 4.49Å | ||
| 188 | R | 89.6 | Confident | 95.4 | Very high | 196 Ų | 196 | 23.6 Ų | 23.6 | 74% | 0.74 | 12% | 0.116 | S | C | * | . | trans | -73.8 | -38.4 | -173.8 | -70.9 | 179.8 | -178.3 | -93.8 | 1.5 | 112.9 | L186 G190 R278 | L186-R188 HydrophobicContact CD2-CG 4.16Å; L186-R188 PolarHBondContact O-N 3.24Å; R188-G190 VanDerWaalsContact C-N 3.33Å; R188-G190 PolarHBondContact O-N 2.72Å; R188-R278 PolarHBondContact O-NH1 2.86Å; R188-R278 PolarHBondContact O-NH2 3.22Å | ||
| 189 | D | 90 | Very high | 95.4 | Very high | 15 Ų | 15 | 24 Ų | 24 | 8% | 0.08 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -49.5 | -51.7 | 175.8 | -177.2 | -62.7 | 0 | 0 | 0 | 111.7 | W187 L191 R278 S363 F364 | W187-D189 HydrophobicContact CZ2-CB 4.3Å; D189-L191 WeakPolarHBondContact OD1-CB 3.33Å; D189-L191 PolarHBondContact OD1-N 3.06Å; D189-R278 PolarHBondContact O-NH1 2.95Å; D189-S363 WeakPolarHBondContact OD2-CA 3.48Å; D189-F364 PolarHBondContact OD2-N 3.23Å |
| 190 | G | 91.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | trans | 87 | 0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R188 L192 F274 D275 R278 | R188-G190 VanDerWaalsContact C-N 3.33Å; R188-G190 PolarHBondContact O-N 2.72Å; G190-L192 PolarHBondContact O-N 3.1Å; G190-F274 CarbonylContact O-C 3.51Å; G190-F274 WeakPolarHBondContact O-CA 3.34Å; G190-D275 PolarHBondContact O-N 2.87Å; G190-R278 VanDerWaalsContact CA-NH2 3.33Å | ||
| 191 | L | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 125.9 | 170.7 | -170.2 | 69.9 | 0 | 0 | 0 | 110.9 | W187 D189 Y194 L228 A232 F272 F274 F364 | W187-L191 HydrophobicContact CZ2-CB 4.44Å; W187-L191 PolarHBondContact NE1-O 2.82Å; D189-L191 WeakPolarHBondContact OD1-CB 3.33Å; D189-L191 PolarHBondContact OD1-N 3.06Å; L191-Y194 HydrophobicContact CD2-CD1 4.06Å; L191-L228 HydrophobicContact CD2-CD2 3.67Å; L191-L228 HydrophobicContact CG-CD2 3.84Å; L191-A232 HydrophobicContact CD2-CB 4.25Å; L191-F272 HydrophobicContact CD1-CB 3.65Å; L191-F272 HydrophobicContact CD1-CD1 3.82Å; L191-F272 HydrophobicContact CD1-CG 4.24Å; L191-F272 HydrophobicContact CD2-CD1 4.28Å; L191-F274 HydrophobicContact CB-CD1 4.22Å; L191-F274 HydrophobicContact CB-CE1 3.99Å; L191-F274 HydrophobicContact CD1-CD1 4.35Å; L191-F274 HydrophobicContact CD1-CE1 3.87Å; L191-F274 HydrophobicContact CD1-CE2 4.15Å; L191-F274 HydrophobicContact CD1-CZ 3.76Å; L191-F364 HydrophobicContact CD1-CE2 4.4Å; L191-F364 HydrophobicContact CD2-CE2 4.38Å |
| 192 | L | 94.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 27.9 Ų | 27.9 | 19% | 0.188 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -37.1 | 175.5 | -77.7 | 174.5 | 0 | 0 | 0 | 111.9 | L94 R124 G190 E273 D275 | L94-L192 HydrophobicContact CD1-CD2 3.73Å; L94-L192 HydrophobicContact CD2-CD2 4.43Å; R124-L192 HydrophobicContact CB-CD2 4.29Å; R124-L192 PolarHBondContact NE-O 3.33Å; G190-L192 PolarHBondContact O-N 3.1Å; L192-E273 HydrophobicContact CD1-CG 4.3Å; L192-E273 PolarHBondContact N-O 2.88Å; L192-D275 HydrophobicContact CD2-CB 4.48Å; L192-D275 HydrophobicContact CG-CB 4.3Å |
| 193 | S | 96.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 150.4 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | G227 E273 | S193-G227 CarbonylContact C-O 3.44Å; S193-G227 WeakPolarHBondContact CA-O 3.16Å; S193-G227 VanDerWaalsContact CB-O 3.23Å; S193-G227 WeakPolarHBondContact CB-O 3.36Å; S193-E273 PolarHBondContact O-N 2.94Å |
| 194 | Y | 98.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 157.6 | 161.7 | 61.3 | -101.5 | 0 | 0 | 0 | 110.8 | L191 A196 D212 Y215 G227 L228 G229 L231 A232 E271 F272 | L191-Y194 HydrophobicContact CD2-CD1 4.06Å; Y194-A196 HydrophobicContact CD2-CB 4.35Å; Y194-D212 PolarHBondContact OH-OD2 3.16Å; Y194-Y215 AromaticContact CD2-CE2 4Å; Y194-Y215 HydrophobicContact CD2-CE2 4Å; Y194-Y215 AromaticContact CE2-CD2 3.84Å; Y194-Y215 HydrophobicContact CE2-CD2 3.84Å; Y194-Y215 AromaticContact CE2-CE2 3.44Å; Y194-Y215 HydrophobicContact CE2-CE2 3.44Å; Y194-Y215 VanDerWaalsContact CE2-CE2 3.44Å; Y194-Y215 AromaticContact CZ-CD2 3.87Å; Y194-Y215 AromaticContact CZ-CE2 3.75Å; Y194-Y215 PolarHBondContact O-OH 2.88Å; Y194-G227 PolarHBondContact N-O 3.06Å; Y194-L228 HydrophobicContact CD1-CD2 3.86Å; Y194-L228 HydrophobicContact CE1-CD2 4.18Å; Y194-G229 VanDerWaalsContact OH-CA 3.25Å; Y194-G229 WeakPolarHBondContact OH-CA 3.48Å; Y194-G229 PolarHBondContact OH-N 2.91Å; Y194-L231 HydrophobicContact CE1-CB 3.84Å; Y194-L231 HydrophobicContact CE2-CB 4.41Å; Y194-L231 HydrophobicContact CE2-CD1 4.07Å; Y194-A232 HydrophobicContact CE1-CB 4.3Å; Y194-E271 CarbonylContact C-O 3.6Å; Y194-E271 VanDerWaalsContact CA-O 3.25Å; Y194-E271 WeakPolarHBondContact CA-O 3.18Å; Y194-F272 HydrophobicContact CG-CE1 4.49Å |
| 195 | T | 98.2 | Very high | 94 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 23% | 0.233 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.7 | 176.4 | -64.5 | 0 | 0 | 0 | 0 | 107.9 | L223 Q224 M270 E271 | T195-L223 HydrophobicContact CG2-CD1 4.13Å; T195-L223 HydrophobicContact CG2-CD2 4.07Å; T195-L223 HydrophobicContact CG2-CG 4.16Å; T195-Q224 CarbonylContact C-O 3.56Å; T195-Q224 WeakPolarHBondContact CA-O 3.38Å; T195-Q224 WeakPolarHBondContact CG2-O 3.44Å; T195-M270 CarbonylContact O-C 3.49Å; T195-M270 WeakPolarHBondContact O-CA 3.24Å; T195-M270 WeakPolarHBondContact O-CB 3.44Å; T195-E271 PolarHBondContact N-O 2.54Å; T195-E271 PolarHBondContact O-N 2.88Å |
| 196 | A | 97.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y194 L223 Q224 M270 | Y194-A196 HydrophobicContact CD2-CB 4.35Å; A196-L223 WeakPolarHBondContact O-CD1 3.21Å; A196-Q224 PolarHBondContact N-O 2.96Å; A196-Q224 PolarHBondContact O-N 2.84Å; A196-M270 HydrophobicContact CB-CE 4.12Å; A196-M270 HydrophobicContact CB-CG 3.97Å; A196-M270 HydrophobicContact CB-SD 4.44Å |
| 197 | P | 97.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 146 | 168.2 | -17.5 | 31.5 | 0 | 0 | 0 | 110.6 | G199 W258 F263 V268 E269 | P197-G199 PolarHBondContact O-N 3.15Å; P197-W258 PolarHBondContact O-NE1 2.75Å; P197-F263 HydrophobicContact CB-CE1 4.09Å; P197-F263 HydrophobicContact CB-CZ 3.74Å; P197-F263 HydrophobicContact CG-CE1 3.77Å; P197-F263 HydrophobicContact CG-CZ 3.86Å; P197-V268 HydrophobicContact CG-CG1 4.2Å; P197-E269 WeakPolarHBondContact CD-O 3.5Å |
| 198 | V | 97.4 | Very high | 94.1 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 30% | 0.297 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -57.7 | 126.3 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | T219 G222 Q224 | V198-T219 HydrophobicContact CG2-CG2 3.46Å; V198-T219 VanDerWaalsContact CG2-CG2 3.46Å; V198-G222 WeakPolarHBondContact CG2-O 3.38Å; V198-G222 PolarHBondContact N-O 3.06Å; V198-Q224 HydrophobicContact CB-CG 4.5Å; V198-Q224 HydrophobicContact CG2-CG 3.6Å |
| 199 | G | 96.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 151.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | P197 L210 G257 | P197-G199 PolarHBondContact O-N 3.15Å; G199-L210 CarbonylContact C-O 3.56Å; G199-L210 WeakPolarHBondContact CA-O 3.39Å; G199-G257 CarbonylContact C-O 3.37Å; G199-G257 WeakPolarHBondContact CA-O 3.25Å |
| 200 | Q | 97.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | trans | -114.8 | 163.4 | -159.9 | -55.5 | -172.6 | -43.9 | 0 | 0 | 113.2 | L210 G257 S259 S262 W356 | Q200-L210 PolarHBondContact N-O 2.04Å; Q200-L210 WeakPolarHBondContact O-CA 3.42Å; Q200-L210 VanDerWaalsContact O-CB 3.25Å; Q200-L210 WeakPolarHBondContact O-CB 3.29Å; Q200-L210 PolarHBondContact O-N 2.92Å; Q200-G257 PolarHBondContact N-O 3.36Å; Q200-S259 PolarHBondContact OE1-OG 2.86Å; Q200-S262 VanDerWaalsContact NE2-CB 3.32Å; Q200-S262 PolarHBondContact NE2-OG 3.02Å; Q200-S262 PolarHBondContact OE1-OG 2.86Å; Q200-W356 HydrophobicContact CB-CH2 4.09Å; Q200-W356 HydrophobicContact CB-CZ3 3.95Å | ||
| 201 | T | 96.4 | Very high | 95 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.3 | 174.7 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | Y203 A207 V208 Y209 W356 | T201-Y203 HydrophobicContact CG2-CD1 4.41Å; T201-Y203 HydrophobicContact CG2-CE1 3.96Å; T201-Y203 HydrophobicContact CG2-CE2 4.2Å; T201-A207 HydrophobicContact CG2-CB 4.17Å; T201-V208 CarbonylContact C-O 3.55Å; T201-V208 WeakPolarHBondContact CA-O 3.18Å; T201-V208 WeakPolarHBondContact CG2-O 3.3Å; T201-Y209 HydrophobicContact CG2-CD1 3.87Å; T201-Y209 HydrophobicContact CG2-CE1 4.05Å; T201-Y209 HydrophobicContact CG2-CG 4.31Å; T201-W356 WeakPolarHBondContact O-CH2 3.39Å |
| 202 | M | 95.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.9 | 169 | -171.1 | -167.7 | -47 | 0 | 0 | 109.5 | L204 V208 L210 F241 W356 L358 | M202-L204 HydrophobicContact CG-CD2 4.17Å; M202-L204 HydrophobicContact CG-CG 4.04Å; M202-L204 HydrophobicContact SD-CD1 3.75Å; M202-L204 HydrophobicContact SD-CD2 3.73Å; M202-L204 HydrophobicContact SD-CG 3.72Å; M202-V208 HydrophobicContact CB-CB 4.29Å; M202-V208 PolarHBondContact N-O 3.14Å; M202-V208 PolarHBondContact O-N 2.87Å; M202-L210 HydrophobicContact CB-CD1 3.88Å; M202-L210 HydrophobicContact CE-CD1 4Å; M202-F241 HydrophobicContact CE-CE2 3.73Å; M202-F241 HydrophobicContact CE-CZ 3.72Å; M202-F241 HydrophobicContact SD-CE2 4.21Å; M202-F241 HydrophobicContact SD-CZ 4.09Å; M202-W356 HydrophobicContact CB-CH2 3.79Å; M202-W356 HydrophobicContact CB-CZ2 3.61Å; M202-W356 HydrophobicContact CB-CZ3 4.29Å; M202-W356 HydrophobicContact CE-CB 4.23Å; M202-W356 HydrophobicContact CE-CD2 3.71Å; M202-W356 HydrophobicContact CE-CE3 4.21Å; M202-W356 HydrophobicContact CE-CG 3.67Å; M202-W356 HydrophobicContact CG-CD2 4.42Å; M202-W356 HydrophobicContact CG-CH2 4.36Å; M202-W356 HydrophobicContact CG-CZ2 3.67Å; M202-L358 HydrophobicContact CE-CD2 4.45Å |
| 203 | Y | 91.6 | Very high | 95.1 | Very high | 181 Ų | 181 | 42.9 Ų | 42.9 | 71% | 0.71 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 104.8 | 176.6 | -61.5 | -81.6 | 0 | 0 | 0 | 109.9 | T201 A207 | T201-Y203 HydrophobicContact CG2-CD1 4.41Å; T201-Y203 HydrophobicContact CG2-CE1 3.96Å; T201-Y203 HydrophobicContact CG2-CE2 4.2Å; Y203-A207 HydrophobicContact CD1-CB 4.34Å; Y203-A207 HydrophobicContact CE1-CB 4.38Å |
| 204 | L | 88.2 | Confident | 95.1 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -107.7 | -141.7 | 173.2 | -63.6 | 179.7 | 0 | 0 | 0 | 109 | M202 E206 V208 L293 | M202-L204 HydrophobicContact CG-CD2 4.17Å; M202-L204 HydrophobicContact CG-CG 4.04Å; M202-L204 HydrophobicContact SD-CD1 3.75Å; M202-L204 HydrophobicContact SD-CD2 3.73Å; M202-L204 HydrophobicContact SD-CG 3.72Å; L204-E206 PolarHBondContact N-O 2.9Å; L204-E206 PolarHBondContact O-N 2.91Å; L204-V208 HydrophobicContact CD1-CG2 4.12Å; L204-L293 HydrophobicContact CD1-CB 4.44Å; L204-L293 HydrophobicContact CD1-CD1 4.1Å; L204-L293 HydrophobicContact CD1-CD2 4.28Å |
| 205 | S | 84.6 | Confident | 95 | Very high | 117 Ų | 117 | 44.7 Ų | 44.7 | 82% | 0.818 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -62.7 | -20.2 | 164.6 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 206 | E | 89.2 | Confident | 94.9 | Very high | 86 Ų | 86 | 43.9 Ų | 43.9 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -137.3 | 162.9 | 173.3 | 67.4 | -160.9 | 145 | 0 | 0 | 108.8 | L204 V208 P251 | L204-E206 PolarHBondContact N-O 2.9Å; L204-E206 PolarHBondContact O-N 2.91Å; E206-V208 HydrophobicContact CG-CG2 4.26Å; E206-V208 PolarHBondContact O-N 3.08Å; E206-P251 HydrophobicContact CG-CG 4.4Å |
| 207 | A | 92.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 22% | 0.223 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T201 Y203 Y209 | T201-A207 HydrophobicContact CG2-CB 4.17Å; Y203-A207 HydrophobicContact CD1-CB 4.34Å; Y203-A207 HydrophobicContact CE1-CB 4.38Å; A207-Y209 HydrophobicContact CB-CE2 3.79Å; A207-Y209 WeakPolarHBondContact O-CE2 3.21Å |
| 208 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.8 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | T201 M202 L204 E206 L210 F241 R242 P251 G252 | T201-V208 CarbonylContact C-O 3.55Å; T201-V208 WeakPolarHBondContact CA-O 3.18Å; T201-V208 WeakPolarHBondContact CG2-O 3.3Å; M202-V208 HydrophobicContact CB-CB 4.29Å; M202-V208 PolarHBondContact N-O 3.14Å; M202-V208 PolarHBondContact O-N 2.87Å; L204-V208 HydrophobicContact CD1-CG2 4.12Å; E206-V208 HydrophobicContact CG-CG2 4.26Å; E206-V208 PolarHBondContact O-N 3.08Å; V208-L210 HydrophobicContact CG1-CD2 3.93Å; V208-L210 HydrophobicContact CG1-CG 4.12Å; V208-F241 HydrophobicContact CG1-CD2 4.02Å; V208-F241 HydrophobicContact CG1-CE2 4Å; V208-R242 HydrophobicContact CG1-CG 4.48Å; V208-R242 HydrophobicContact CG2-CG 4.01Å; V208-P251 CarbonylContact C-O 3.55Å; V208-P251 WeakPolarHBondContact CA-O 3.31Å; V208-P251 HydrophobicContact CG1-CB 4.43Å; V208-P251 WeakPolarHBondContact CG1-O 3.25Å; V208-P251 HydrophobicContact CG2-CB 4.28Å; V208-G252 VanDerWaalsContact CG1-CA 3.47Å |
| 209 | Y | 96.8 | Very high | 94.4 | Very high | 101 Ų | 101 | 49 Ų | 49 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113.7 | -175.5 | -55.4 | -96.7 | 0 | 0 | 0 | 109.3 | T201 A207 W250 P251 G252 | T201-Y209 HydrophobicContact CG2-CD1 3.87Å; T201-Y209 HydrophobicContact CG2-CE1 4.05Å; T201-Y209 HydrophobicContact CG2-CG 4.31Å; A207-Y209 HydrophobicContact CB-CE2 3.79Å; A207-Y209 WeakPolarHBondContact O-CE2 3.21Å; Y209-W250 HydrophobicContact CD2-CB 4.19Å; Y209-W250 HydrophobicContact CD2-CG 4.19Å; Y209-P251 PolarHBondContact N-O 2.97Å; Y209-G252 CarbonylContact O-C 3.54Å |
| 210 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -112.5 | 39.9 | -174.7 | -50.8 | 149.6 | 0 | 0 | 0 | 110 | G199 Q200 M202 V208 F241 Y255 V256 G257 W356 L358 | G199-L210 CarbonylContact C-O 3.56Å; G199-L210 WeakPolarHBondContact CA-O 3.39Å; Q200-L210 PolarHBondContact N-O 2.04Å; Q200-L210 WeakPolarHBondContact O-CA 3.42Å; Q200-L210 VanDerWaalsContact O-CB 3.25Å; Q200-L210 WeakPolarHBondContact O-CB 3.29Å; Q200-L210 PolarHBondContact O-N 2.92Å; M202-L210 HydrophobicContact CB-CD1 3.88Å; M202-L210 HydrophobicContact CE-CD1 4Å; V208-L210 HydrophobicContact CG1-CD2 3.93Å; V208-L210 HydrophobicContact CG1-CG 4.12Å; L210-F241 HydrophobicContact CD2-CD2 4.22Å; L210-Y255 CarbonylContact C-O 3.57Å; L210-Y255 WeakPolarHBondContact CA-O 3.32Å; L210-Y255 WeakPolarHBondContact CB-O 3.32Å; L210-V256 CarbonylContact O-C 3.55Å; L210-V256 WeakPolarHBondContact O-CA 3.09Å; L210-G257 PolarHBondContact O-N 2.74Å; L210-W356 HydrophobicContact CD1-CE3 4.02Å; L210-W356 HydrophobicContact CD1-CZ3 3.86Å; L210-L358 HydrophobicContact CD1-CD2 3.58Å; L210-L358 HydrophobicContact CD2-CD1 4.34Å; L210-L358 HydrophobicContact CD2-CD2 4.04Å; L210-L358 HydrophobicContact CG-CD2 4.29Å | ||
| 211 | N | 96.5 | Very high | 93.7 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -88.6 | 149.8 | 174.6 | 66.4 | -87.4 | 0 | 0 | 0 | 110.1 | S213 Q230 | N211-S213 PolarHBondContact O-N 2.94Å; N211-S213 VanDerWaalsContact O-N 3.12Å; N211-Q230 PolarHBondContact O-OE1 2.88Å |
| 212 | D | 97.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.059 | 33% | 0.327 | C | S | . | . | trans | -69 | 114.5 | 166.7 | -162 | -65.1 | 0 | 0 | 0 | 109.1 | Y194 T214 Y215 Q230 V256 | Y194-D212 PolarHBondContact OH-OD2 3.16Å; D212-T214 PolarHBondContact OD1-N 3.22Å; D212-T214 VanDerWaalsContact OD1-N 3.1Å; D212-Y215 WeakPolarHBondContact OD1-CB 3.36Å; D212-Y215 PolarHBondContact OD1-N 2.96Å; D212-Q230 PolarHBondContact OD1-N 2.91Å; D212-Q230 WeakPolarHBondContact OD2-CB 3.47Å; D212-Q230 PolarHBondContact OD2-N 3.4Å; D212-V256 HydrophobicContact CB-CG1 4.26Å; D212-V256 HydrophobicContact CB-CG2 3.72Å; D212-V256 WeakPolarHBondContact OD2-CG2 3.21Å | ||
| 213 | S | 95 | Very high | 93.4 | Very high | 38 Ų | 38 | 58.6 Ų | 58.6 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -87.7 | -17.4 | -174.7 | -172.7 | 0 | 0 | 0 | 0 | 113.7 | N211 W250 Y253 | N211-S213 PolarHBondContact O-N 2.94Å; N211-S213 VanDerWaalsContact O-N 3.12Å; S213-W250 WeakPolarHBondContact OG-CH2 3.26Å; S213-W250 WeakPolarHBondContact OG-CZ2 3.49Å; S213-Y253 WeakPolarHBondContact OG-CE2 3.36Å |
| 214 | T | 95.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -115.9 | 1 | -171.2 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | P157 D212 D216 Q230 | P157-T214 HydrophobicContact CB-CG2 3.96Å; P157-T214 HydrophobicContact CG-CG2 3.74Å; D212-T214 PolarHBondContact OD1-N 3.22Å; D212-T214 VanDerWaalsContact OD1-N 3.1Å; T214-D216 PolarHBondContact O-N 3.18Å; T214-D216 VanDerWaalsContact O-N 3.15Å; T214-Q230 HydrophobicContact CG2-CG 4.12Å; T214-Q230 WeakPolarHBondContact OG1-CG 3.46Å; T214-Q230 PolarHBondContact OG1-N 3.34Å; T214-Q230 VanDerWaalsContact OG1-N 3.15Å |
| 215 | Y | 97.4 | Very high | 94 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | trans | -51.4 | 112.2 | -176.7 | -161.7 | -102.6 | 0 | 0 | 0 | 114.7 | Y194 D212 G217 Q224 Y225 G226 G227 L228 | Y194-Y215 AromaticContact CD2-CE2 4Å; Y194-Y215 HydrophobicContact CD2-CE2 4Å; Y194-Y215 AromaticContact CE2-CD2 3.84Å; Y194-Y215 HydrophobicContact CE2-CD2 3.84Å; Y194-Y215 AromaticContact CE2-CE2 3.44Å; Y194-Y215 HydrophobicContact CE2-CE2 3.44Å; Y194-Y215 VanDerWaalsContact CE2-CE2 3.44Å; Y194-Y215 AromaticContact CZ-CD2 3.87Å; Y194-Y215 AromaticContact CZ-CE2 3.75Å; Y194-Y215 PolarHBondContact O-OH 2.88Å; D212-Y215 WeakPolarHBondContact OD1-CB 3.36Å; D212-Y215 PolarHBondContact OD1-N 2.96Å; Y215-G217 VanDerWaalsContact C-N 3.34Å; Y215-G217 PolarHBondContact O-N 2.8Å; Y215-Q224 HydrophobicContact CD1-CB 4.02Å; Y215-Q224 HydrophobicContact CD1-CG 4.49Å; Y215-Q224 HydrophobicContact CE1-CB 3.71Å; Y215-Q224 HydrophobicContact CE2-CB 4.34Å; Y215-Q224 HydrophobicContact CG-CB 4.44Å; Y215-Y225 WeakPolarHBondContact OH-CA 3.24Å; Y215-Y225 PolarHBondContact OH-N 2.75Å; Y215-Y225 VanDerWaalsContact OH-N 3.17Å; Y215-Y225 PolarHBondContact OH-O 3.13Å; Y215-G226 PolarHBondContact OH-N 3.34Å; Y215-G227 WeakPolarHBondContact CE2-O 3.45Å; Y215-G227 PolarHBondContact OH-N 2.67Å; Y215-G227 PolarHBondContact OH-O 3Å; Y215-L228 CarbonylContact C-O 3.52Å; Y215-L228 VanDerWaalsContact CA-O 3.29Å; Y215-L228 WeakPolarHBondContact CA-O 3.41Å | ||
| 216 | D | 96.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | trans | -85.4 | 0.7 | -173.7 | 76.7 | 6.9 | 0 | 0 | 0 | 115 | Y122 R124 R128 M130 T214 G227 L228 | Y122-D216 VanDerWaalsContact OH-CB 3.3Å; Y122-D216 WeakPolarHBondContact OH-CB 3.45Å; Y122-D216 PolarHBondContact OH-OD2 3.01Å; R124-D216 IonicContact CZ-OD1 2.7Å; R124-D216 IonicContact CZ-OD2 3.31Å; R124-D216 VanDerWaalsContact CZ-OD2 3.25Å; R124-D216 IonicContact NH1-OD2 3.76Å; R124-D216 PolarHBondContact NH1-OD2 3.08Å; R124-D216 VanDerWaalsContact NH2-CG 3.28Å; R124-D216 IonicContact NH2-OD1 2.87Å; R124-D216 PolarHBondContact NH2-OD1 3.49Å; R124-D216 IonicContact NH2-OD2 3.3Å; R124-D216 PolarHBondContact NH2-OD2 3.07Å; R128-D216 PolarHBondContact NH2-O 3.25Å; M130-D216 HydrophobicContact CG-CB 4.4Å; M130-D216 HydrophobicContact SD-CB 3.95Å; M130-D216 VanDerWaalsContact SD-OD2 3.41Å; T214-D216 PolarHBondContact O-N 3.18Å; T214-D216 VanDerWaalsContact O-N 3.15Å; D216-G227 WeakPolarHBondContact OD1-CA 3.22Å; D216-L228 PolarHBondContact N-O 3.22Å; D216-L228 PolarHBondContact OD1-N 3.08Å | ||
| 217 | G | 94.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 13% | 0.134 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -90 | -129.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R128 Y215 | R128-G217 VanDerWaalsContact NH2-C 3.29Å; R128-G217 PolarHBondContact NH2-O 2.77Å; Y215-G217 VanDerWaalsContact C-N 3.34Å; Y215-G217 PolarHBondContact O-N 2.8Å |
| 218 | H | 93.6 | Very high | 95 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 39% | 0.394 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142 | 172.5 | -71.1 | -72.9 | 0 | 0 | 0 | 110.6 | R128 Q224 Y225 | R128-H218 PolarHBondContact NH1-CD2 3.33Å; R128-H218 PolarHBondContact NH1-NE2 3.09Å; H218-Q224 CarbonylContact O-C 3.51Å; H218-Q224 VanDerWaalsContact O-CA 3.32Å; H218-Q224 WeakPolarHBondContact O-CA 3.09Å; H218-Y225 HydrophobicContact CB-CD1 4.25Å; H218-Y225 HydrophobicContact CB-CD2 4.39Å; H218-Y225 HydrophobicContact CB-CE1 3.76Å; H218-Y225 HydrophobicContact CB-CE2 3.92Å; H218-Y225 PolarHBondContact N-O 3.39Å; H218-Y225 PolarHBondContact O-N 2.7Å |
| 219 | T | 94.1 | Very high | 94.9 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 113.8 | 172.9 | -55.9 | 0 | 0 | 0 | 0 | 108.7 | V198 L223 Q224 | V198-T219 HydrophobicContact CG2-CG2 3.46Å; V198-T219 VanDerWaalsContact CG2-CG2 3.46Å; T219-L223 CarbonylContact C-O 3.46Å; T219-L223 WeakPolarHBondContact CA-O 3.44Å; T219-Q224 HydrophobicContact CG2-CG 4.15Å |
| 220 | V | 91.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 38.4 Ų | 38.4 | 52% | 0.521 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 131.7 | -177.2 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | G222 L223 Y225 | V220-G222 PolarHBondContact O-N 2.96Å; V220-G222 VanDerWaalsContact O-N 3.12Å; V220-L223 PolarHBondContact N-O 3.42Å; V220-L223 PolarHBondContact O-N 2.73Å; V220-Y225 HydrophobicContact CB-CE1 4.07Å; V220-Y225 HydrophobicContact CG2-CE1 3.88Å |
| 221 | G | 86.3 | Confident | 94.9 | Very high | 91 Ų | 91 | 38.5 Ų | 38.5 | 94% | 0.938 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 21.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 222 | G | 90.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 7.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V198 V220 | V198-G222 WeakPolarHBondContact CG2-O 3.38Å; V198-G222 PolarHBondContact N-O 3.06Å; V220-G222 PolarHBondContact O-N 2.96Å; V220-G222 VanDerWaalsContact O-N 3.12Å |
| 223 | L | 94.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 36.3 Ų | 36.3 | 40% | 0.403 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.1 | 174.3 | -169.3 | 74.3 | 0 | 0 | 0 | 111 | T195 A196 T219 V220 | T195-L223 HydrophobicContact CG2-CD1 4.13Å; T195-L223 HydrophobicContact CG2-CD2 4.07Å; T195-L223 HydrophobicContact CG2-CG 4.16Å; A196-L223 WeakPolarHBondContact O-CD1 3.21Å; T219-L223 CarbonylContact C-O 3.46Å; T219-L223 WeakPolarHBondContact CA-O 3.44Å; V220-L223 PolarHBondContact N-O 3.42Å; V220-L223 PolarHBondContact O-N 2.73Å |
| 224 | Q | 96.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.4 | 171.2 | -57 | -174.1 | -98.3 | 0 | 0 | 108.7 | T195 A196 V198 Y215 H218 T219 | T195-Q224 CarbonylContact C-O 3.56Å; T195-Q224 WeakPolarHBondContact CA-O 3.38Å; T195-Q224 WeakPolarHBondContact CG2-O 3.44Å; A196-Q224 PolarHBondContact N-O 2.96Å; A196-Q224 PolarHBondContact O-N 2.84Å; V198-Q224 HydrophobicContact CB-CG 4.5Å; V198-Q224 HydrophobicContact CG2-CG 3.6Å; Y215-Q224 HydrophobicContact CD1-CB 4.02Å; Y215-Q224 HydrophobicContact CD1-CG 4.49Å; Y215-Q224 HydrophobicContact CE1-CB 3.71Å; Y215-Q224 HydrophobicContact CE2-CB 4.34Å; Y215-Q224 HydrophobicContact CG-CB 4.44Å; H218-Q224 CarbonylContact O-C 3.51Å; H218-Q224 VanDerWaalsContact O-CA 3.32Å; H218-Q224 WeakPolarHBondContact O-CA 3.09Å; T219-Q224 HydrophobicContact CG2-CG 4.15Å |
| 225 | Y | 96.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 34.6 Ų | 34.6 | 37% | 0.369 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157 | -179.2 | 67.8 | -84.5 | 0 | 0 | 0 | 113.5 | Y215 H218 V220 G227 | Y215-Y225 WeakPolarHBondContact OH-CA 3.24Å; Y215-Y225 PolarHBondContact OH-N 2.75Å; Y215-Y225 VanDerWaalsContact OH-N 3.17Å; Y215-Y225 PolarHBondContact OH-O 3.13Å; H218-Y225 HydrophobicContact CB-CD1 4.25Å; H218-Y225 HydrophobicContact CB-CD2 4.39Å; H218-Y225 HydrophobicContact CB-CE1 3.76Å; H218-Y225 HydrophobicContact CB-CE2 3.92Å; H218-Y225 PolarHBondContact N-O 3.39Å; H218-Y225 PolarHBondContact O-N 2.7Å; V220-Y225 HydrophobicContact CB-CE1 4.07Å; V220-Y225 HydrophobicContact CG2-CE1 3.88Å; Y225-G227 VanDerWaalsContact C-N 3.32Å; Y225-G227 PolarHBondContact O-N 3.49Å |
| 226 | G | 93.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 35.2 Ų | 35.2 | 33% | 0.33 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.4 | 19.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y215 | Y215-G226 PolarHBondContact OH-N 3.34Å |
| 227 | G | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | -178.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S193 Y194 Y215 D216 Y225 | S193-G227 CarbonylContact C-O 3.44Å; S193-G227 WeakPolarHBondContact CA-O 3.16Å; S193-G227 VanDerWaalsContact CB-O 3.23Å; S193-G227 WeakPolarHBondContact CB-O 3.36Å; Y194-G227 PolarHBondContact N-O 3.06Å; Y215-G227 WeakPolarHBondContact CE2-O 3.45Å; Y215-G227 PolarHBondContact OH-N 2.67Å; Y215-G227 PolarHBondContact OH-O 3Å; D216-G227 WeakPolarHBondContact OD1-CA 3.22Å; Y225-G227 VanDerWaalsContact C-N 3.32Å; Y225-G227 PolarHBondContact O-N 3.49Å |
| 228 | L | 97.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | trans | -122.3 | 161.2 | 171.8 | -64.5 | 172.7 | 0 | 0 | 0 | 108.8 | V160 L191 Y194 Y215 D216 A232 | V160-L228 HydrophobicContact CB-CD1 3.76Å; V160-L228 HydrophobicContact CG1-CD1 3.97Å; V160-L228 HydrophobicContact CG2-CD1 4Å; L191-L228 HydrophobicContact CD2-CD2 3.67Å; L191-L228 HydrophobicContact CG-CD2 3.84Å; Y194-L228 HydrophobicContact CD1-CD2 3.86Å; Y194-L228 HydrophobicContact CE1-CD2 4.18Å; Y215-L228 CarbonylContact C-O 3.52Å; Y215-L228 VanDerWaalsContact CA-O 3.29Å; Y215-L228 WeakPolarHBondContact CA-O 3.41Å; D216-L228 PolarHBondContact N-O 3.22Å; D216-L228 PolarHBondContact OD1-N 3.08Å; L228-A232 HydrophobicContact CD2-CB 4.29Å | ||
| 229 | G | 96 | Very high | 93.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | trans | -167 | -152.4 | -175 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y194 L231 A232 D233 | Y194-G229 VanDerWaalsContact OH-CA 3.25Å; Y194-G229 WeakPolarHBondContact OH-CA 3.48Å; Y194-G229 PolarHBondContact OH-N 2.91Å; G229-L231 VanDerWaalsContact C-N 3.3Å; G229-L231 PolarHBondContact O-N 3.47Å; G229-A232 CarbonylContact O-C 3.33Å; G229-A232 PolarHBondContact O-N 3.27Å; G229-D233 PolarHBondContact O-N 2.98Å | ||
| 230 | Q | 95.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -56.1 | -39.3 | -172.2 | -59.6 | -169.4 | -108.6 | 0 | 0 | 113.8 | N211 D212 T214 A232 D233 Y253 V256 S360 | N211-Q230 PolarHBondContact O-OE1 2.88Å; D212-Q230 PolarHBondContact OD1-N 2.91Å; D212-Q230 WeakPolarHBondContact OD2-CB 3.47Å; D212-Q230 PolarHBondContact OD2-N 3.4Å; T214-Q230 HydrophobicContact CG2-CG 4.12Å; T214-Q230 WeakPolarHBondContact OG1-CG 3.46Å; T214-Q230 PolarHBondContact OG1-N 3.34Å; T214-Q230 VanDerWaalsContact OG1-N 3.15Å; Q230-A232 PolarHBondContact O-N 3.5Å; Q230-D233 PolarHBondContact O-N 3.34Å; Q230-D233 VanDerWaalsContact O-N 3.07Å; Q230-Y253 PolarHBondContact NE2-O 2.9Å; Q230-Y253 PolarHBondContact OE1-O 3Å; Q230-V256 HydrophobicContact CB-CG2 4.36Å; Q230-S360 CarbonylContact C-O 3.49Å; Q230-S360 VanDerWaalsContact O-O 3.08Å |
| 231 | L | 96.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -60.6 | -0.8 | 175.6 | -60 | 177.8 | 0 | 0 | 0 | 115.4 | Y194 G229 V256 W258 M270 F359 S360 I362 | Y194-L231 HydrophobicContact CE1-CB 3.84Å; Y194-L231 HydrophobicContact CE2-CB 4.41Å; Y194-L231 HydrophobicContact CE2-CD1 4.07Å; G229-L231 VanDerWaalsContact C-N 3.3Å; G229-L231 PolarHBondContact O-N 3.47Å; L231-V256 HydrophobicContact CD1-CB 4.32Å; L231-V256 HydrophobicContact CD1-CG2 4.32Å; L231-V256 HydrophobicContact CD2-CB 3.99Å; L231-V256 HydrophobicContact CD2-CG2 3.85Å; L231-V256 HydrophobicContact CG-CB 4.17Å; L231-V256 HydrophobicContact CG-CG2 3.76Å; L231-W258 HydrophobicContact CD1-CH2 4.2Å; L231-M270 HydrophobicContact CD1-CE 3.98Å; L231-F359 HydrophobicContact CD2-CB 3.71Å; L231-F359 WeakPolarHBondContact CD2-O 3.48Å; L231-S360 WeakPolarHBondContact CA-O 3.45Å; L231-I362 HydrophobicContact CB-CD1 4.47Å; L231-I362 HydrophobicContact CB-CG1 4.39Å; L231-I362 HydrophobicContact CD1-CD1 4.22Å; L231-I362 PolarHBondContact O-N 2.87Å |
| 232 | A | 95 | Very high | 93.9 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -149.7 | 32.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W187 L191 Y194 L228 G229 Q230 E361 | W187-A232 HydrophobicContact CH2-CB 4.31Å; W187-A232 HydrophobicContact CZ2-CB 4.49Å; L191-A232 HydrophobicContact CD2-CB 4.25Å; Y194-A232 HydrophobicContact CE1-CB 4.3Å; L228-A232 HydrophobicContact CD2-CB 4.29Å; G229-A232 CarbonylContact O-C 3.33Å; G229-A232 PolarHBondContact O-N 3.27Å; Q230-A232 PolarHBondContact O-N 3.5Å; A232-E361 WeakPolarHBondContact CA-OE2 3.37Å |
| 233 | D | 90.2 | Very high | 94 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -97.5 | -7.6 | 177.8 | 99.7 | -24.5 | 0 | 0 | 0 | 114.1 | F26 R135 P158 G229 Q230 V235 E361 | F26-D233 WeakPolarHBondContact CE2-O 3.32Å; F26-D233 VanDerWaalsContact CZ-C 3.48Å; R135-D233 IonicContact CZ-OD2 2.82Å; R135-D233 IonicContact NH1-OD2 3.02Å; R135-D233 PolarHBondContact NH1-OD2 3.17Å; R135-D233 IonicContact NH2-OD2 2.73Å; R135-D233 PolarHBondContact NH2-OD2 2.74Å; P158-D233 HydrophobicContact CG-CB 4.48Å; P158-D233 VanDerWaalsContact CG-O 3.29Å; P158-D233 WeakPolarHBondContact CG-O 3.45Å; G229-D233 PolarHBondContact O-N 2.98Å; Q230-D233 PolarHBondContact O-N 3.34Å; Q230-D233 VanDerWaalsContact O-N 3.07Å; D233-V235 WeakPolarHBondContact OD1-CB 3.47Å; D233-V235 WeakPolarHBondContact OD1-CG2 3.24Å; D233-V235 PolarHBondContact OD1-N 2.75Å; D233-E361 PolarHBondContact N-OE2 3.45Å |
| 234 | G | 87.7 | Confident | 93.9 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 86 | 14.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H25 F26 P28 E361 | H25-G234 PolarHBondContact CE1-O 2.7Å; H25-G234 VanDerWaalsContact CE1-O 3.22Å; F26-G234 VanDerWaalsContact CE2-CA 3.42Å; F26-G234 VanDerWaalsContact CZ-CA 3.42Å; P28-G234 WeakPolarHBondContact CD-O 3.42Å; G234-E361 PolarHBondContact N-OE2 3.01Å; G234-E361 VanDerWaalsContact N-OE2 3.1Å |
| 235 | V | 89.1 | Confident | 93.4 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | trans | -100.6 | 114.9 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | D233 | D233-V235 WeakPolarHBondContact OD1-CB 3.47Å; D233-V235 WeakPolarHBondContact OD1-CG2 3.24Å; D233-V235 PolarHBondContact OD1-N 2.75Å | ||
| 236 | V | 91.9 | Very high | 92.9 | Very high | 41 Ų | 41 | 33.7 Ų | 33.7 | 25% | 0.248 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 117.6 | 170.7 | 170 | 0 | 0 | 0 | 0 | 109.5 | Q245 | V236-Q245 PolarHBondContact O-NE2 3.48Š|
| 237 | G | 92.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 151.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y255 H286 S360 | G237-Y255 PolarHBondContact O-OH 3.01Å; G237-Y255 VanDerWaalsContact O-OH 3.13Å; G237-H286 PolarHBondContact O-CE1 3.18Å; G237-H286 VanDerWaalsContact O-CE1 3.27Å; G237-S360 WeakPolarHBondContact CA-OG 3.35Å; G237-S360 PolarHBondContact N-OG 2.88Å; G237-S360 VanDerWaalsContact N-OG 3.08Å |
| 238 | L | 94.3 | Very high | 92 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 162.7 | -176.4 | -62.9 | 177.1 | 0 | 0 | 0 | 113.8 | D240 K243 Q245 Y255 N288 | L238-D240 VanDerWaalsContact C-N 3.32Å; L238-D240 PolarHBondContact O-N 2.86Å; L238-K243 HydrophobicContact CD1-CB 4.12Å; L238-Q245 HydrophobicContact CD1-CG 4.3Å; L238-Q245 HydrophobicContact CD2-CG 3.86Å; L238-Q245 HydrophobicContact CG-CG 3.93Å; L238-Y255 VanDerWaalsContact O-CE2 3.3Å; L238-Y255 WeakPolarHBondContact O-CE2 3.25Å; L238-Y255 PolarHBondContact O-OH 2.93Å; L238-N288 PolarHBondContact O-ND2 3.01Å |
| 239 | D | 94.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -53.1 | -47.1 | 172.7 | -77.6 | -31.7 | 0 | 0 | 0 | 112.3 | F241 N288 M290 R330 A331 | D239-F241 PolarHBondContact O-N 3.42Å; D239-N288 PolarHBondContact O-ND2 2.99Å; D239-M290 WeakPolarHBondContact O-CE 3.39Å; D239-R330 WeakPolarHBondContact OD1-CA 3.2Å; D239-R330 WeakPolarHBondContact OD1-CB 3.44Å; D239-A331 PolarHBondContact OD1-N 2.98Å |
| 240 | D | 94.4 | Very high | 91.5 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -89.1 | 88.3 | 175 | -172.9 | -0.2 | 0 | 0 | 0 | 109.1 | L238 R242 K243 M290 | L238-D240 VanDerWaalsContact C-N 3.32Å; L238-D240 PolarHBondContact O-N 2.86Å; D240-R242 VanDerWaalsContact CG-NH2 3.28Å; D240-R242 PolarHBondContact O-N 3.38Å; D240-R242 IonicContact OD1-CZ 3.21Å; D240-R242 VanDerWaalsContact OD1-CZ 3.3Å; D240-R242 IonicContact OD1-NE 3.04Å; D240-R242 PolarHBondContact OD1-NE 3.09Å; D240-R242 IonicContact OD1-NH2 3.19Å; D240-R242 PolarHBondContact OD1-NH2 3.31Å; D240-R242 IonicContact OD2-CZ 3.87Å; D240-R242 IonicContact OD2-NH2 3.56Å; D240-R242 PolarHBondContact OD2-NH2 2.87Å; D240-K243 HydrophobicContact CB-CD 4.39Å; D240-K243 PolarHBondContact O-N 2.68Å; D240-K243 WeakPolarHBondContact OD2-CE 3.48Å; D240-K243 IonicContact OD2-NZ 2.67Å; D240-K243 PolarHBondContact OD2-NZ 3.15Å; D240-M290 HydrophobicContact CB-CE 3.93Å |
| 241 | F | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -14.7 | -173.7 | 63 | -95.1 | 0 | 0 | 0 | 115.4 | M202 V208 L210 D239 K243 G252 Y255 N288 M290 L293 A295 L358 | M202-F241 HydrophobicContact CE-CE2 3.73Å; M202-F241 HydrophobicContact CE-CZ 3.72Å; M202-F241 HydrophobicContact SD-CE2 4.21Å; M202-F241 HydrophobicContact SD-CZ 4.09Å; V208-F241 HydrophobicContact CG1-CD2 4.02Å; V208-F241 HydrophobicContact CG1-CE2 4Å; L210-F241 HydrophobicContact CD2-CD2 4.22Å; D239-F241 PolarHBondContact O-N 3.42Å; F241-K243 PolarHBondContact O-N 3.3Å; F241-G252 WeakPolarHBondContact O-CA 3.41Å; F241-G252 PolarHBondContact O-N 3.33Å; F241-Y255 HydrophobicContact CB-CD2 3.52Å; F241-Y255 HydrophobicContact CB-CE2 3.57Å; F241-Y255 HydrophobicContact CB-CG 4.2Å; F241-N288 WeakPolarHBondContact CD1-OD1 3.32Å; F241-M290 HydrophobicContact CD1-CB 4.1Å; F241-M290 HydrophobicContact CD1-SD 4.43Å; F241-M290 HydrophobicContact CE1-CB 4.02Å; F241-M290 HydrophobicContact CE1-CG 4.31Å; F241-M290 HydrophobicContact CE1-SD 4.3Å; F241-L293 HydrophobicContact CE1-CB 3.87Å; F241-L293 HydrophobicContact CE1-CD1 4.01Å; F241-L293 HydrophobicContact CZ-CB 3.74Å; F241-L293 HydrophobicContact CZ-CD1 3.9Å; F241-L293 HydrophobicContact CZ-CG 4.49Å; F241-A295 HydrophobicContact CD1-CB 4.47Å; F241-A295 HydrophobicContact CE1-CB 4.12Å; F241-L358 HydrophobicContact CB-CD1 3.93Å; F241-L358 HydrophobicContact CD1-CD1 3.66Å; F241-L358 HydrophobicContact CD2-CD1 3.7Å; F241-L358 HydrophobicContact CE1-CD1 4Å; F241-L358 HydrophobicContact CE2-CD1 4.05Å; F241-L358 HydrophobicContact CG-CD1 3.48Å; F241-L358 VanDerWaalsContact CG-CD1 3.48Å; F241-L358 HydrophobicContact CZ-CD1 4.19Å |
| 242 | R | 94.1 | Very high | 91.4 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 28% | 0.275 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.8 | 173.3 | -59.1 | 171 | -63.4 | 154.9 | 7.3 | 112.7 | V208 D240 P251 | V208-R242 HydrophobicContact CG1-CG 4.48Å; V208-R242 HydrophobicContact CG2-CG 4.01Å; D240-R242 VanDerWaalsContact CG-NH2 3.28Å; D240-R242 PolarHBondContact O-N 3.38Å; D240-R242 IonicContact OD1-CZ 3.21Å; D240-R242 VanDerWaalsContact OD1-CZ 3.3Å; D240-R242 IonicContact OD1-NE 3.04Å; D240-R242 PolarHBondContact OD1-NE 3.09Å; D240-R242 IonicContact OD1-NH2 3.19Å; D240-R242 PolarHBondContact OD1-NH2 3.31Å; D240-R242 IonicContact OD2-CZ 3.87Å; D240-R242 IonicContact OD2-NH2 3.56Å; D240-R242 PolarHBondContact OD2-NH2 2.87Å; R242-P251 HydrophobicContact CB-CB 4.36Å; R242-P251 VanDerWaalsContact O-CA 3.28Å; R242-P251 WeakPolarHBondContact O-CA 3.3Å; R242-P251 WeakPolarHBondContact O-CB 3.4Å |
| 243 | K | 92.6 | Very high | 91.5 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -110.7 | 144.9 | 176.3 | -64.8 | 170.4 | -176.2 | 136.7 | 0 | 109 | L238 D240 F241 | L238-K243 HydrophobicContact CD1-CB 4.12Å; D240-K243 HydrophobicContact CB-CD 4.39Å; D240-K243 PolarHBondContact O-N 2.68Å; D240-K243 WeakPolarHBondContact OD2-CE 3.48Å; D240-K243 IonicContact OD2-NZ 2.67Å; D240-K243 PolarHBondContact OD2-NZ 3.15Å; F241-K243 PolarHBondContact O-N 3.3Å |
| 244 | S | 92 | Very high | 91.7 | Very high | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | trans | -113.5 | 158.6 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | E246 V249 D254 | S244-E246 VanDerWaalsContact C-N 3.28Å; S244-E246 WeakPolarHBondContact OG-CB 3.19Å; S244-E246 PolarHBondContact OG-N 2.73Å; S244-V249 WeakPolarHBondContact OG-CG2 3.44Å; S244-D254 VanDerWaalsContact CA-OD2 3.29Å; S244-D254 WeakPolarHBondContact CA-OD2 3.25Å; S244-D254 VanDerWaalsContact CB-OD1 3.23Å; S244-D254 WeakPolarHBondContact CB-OD1 3.46Å; S244-D254 PolarHBondContact OG-OD1 2.83Å | ||
| 245 | Q | 85.4 | Confident | 92.2 | Very high | 124 Ų | 124 | 53.8 Ų | 53.8 | 58% | 0.579 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -73.5 | -22.7 | 163.6 | -53.5 | -161.9 | 48 | 0 | 0 | 112.4 | V236 L238 D254 | V236-Q245 PolarHBondContact O-NE2 3.48Å; L238-Q245 HydrophobicContact CD1-CG 4.3Å; L238-Q245 HydrophobicContact CD2-CG 3.86Å; L238-Q245 HydrophobicContact CG-CG 3.93Å; Q245-D254 PolarHBondContact N-OD2 3.4Å |
| 246 | E | 85.6 | Confident | 92.6 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -85.3 | 150.2 | -177 | -63.9 | -74.8 | -173.4 | 0 | 0 | 112.3 | R135 S244 V249 | R135-E246 IonicContact CZ-OE1 2.75Å; R135-E246 IonicContact NE-OE1 2.96Å; R135-E246 PolarHBondContact NE-OE1 2.82Å; R135-E246 IonicContact NE-OE2 3.18Å; R135-E246 IonicContact NH2-OE1 2.68Å; R135-E246 PolarHBondContact NH2-OE1 2.86Å; S244-E246 VanDerWaalsContact C-N 3.28Å; S244-E246 WeakPolarHBondContact OG-CB 3.19Å; S244-E246 PolarHBondContact OG-N 2.73Å; E246-V249 HydrophobicContact CB-CG1 4Å; E246-V249 HydrophobicContact CB-CG2 4.17Å |
| 247 | L | 85.4 | Confident | 92.9 | Very high | 134 Ų | 134 | 50.8 Ų | 50.8 | 70% | 0.702 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 141.2 | -177.6 | -65 | 177.3 | 0 | 0 | 0 | 112.4 | W136 V249 | W136-L247 WeakPolarHBondContact CZ2-O 3.34Å; W136-L247 PolarHBondContact NE1-O 2.92Å; L247-V249 VanDerWaalsContact C-N 3.32Å; L247-V249 PolarHBondContact O-N 3.1Å |
| 248 | R | 85.2 | Confident | 93.2 | Very high | 191 Ų | 191 | 50.6 Ų | 50.6 | 72% | 0.721 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 33.3 | 178.5 | -45.3 | 172.3 | -62.5 | 175.3 | 4.1 | 113.9 | W136 | W136-R248 VanDerWaalsContact CD2-NH2 3.32Å; W136-R248 VanDerWaalsContact CE2-NH2 3.32Å |
| 249 | V | 90.9 | Very high | 93.3 | Very high | 33 Ų | 33 | 48 Ų | 48 | 20% | 0.2 | 22% | 0.224 | C | C | . | . | trans | -104.1 | 166.9 | 169.9 | -58.4 | 0 | 0 | 0 | 0 | 111 | S244 E246 L247 Y253 | S244-V249 WeakPolarHBondContact OG-CG2 3.44Å; E246-V249 HydrophobicContact CB-CG1 4Å; E246-V249 HydrophobicContact CB-CG2 4.17Å; L247-V249 VanDerWaalsContact C-N 3.32Å; L247-V249 PolarHBondContact O-N 3.1Å; V249-Y253 HydrophobicContact CB-CD1 4.18Å; V249-Y253 HydrophobicContact CB-CD2 3.65Å; V249-Y253 HydrophobicContact CB-CE2 4.3Å; V249-Y253 HydrophobicContact CB-CG 3.59Å; V249-Y253 HydrophobicContact CG1-CD1 4.06Å; V249-Y253 HydrophobicContact CG1-CD2 3.83Å; V249-Y253 HydrophobicContact CG1-CE1 4.22Å; V249-Y253 HydrophobicContact CG1-CE2 3.97Å; V249-Y253 HydrophobicContact CG1-CG 3.88Å; V249-Y253 HydrophobicContact CG2-CD1 4.14Å; V249-Y253 HydrophobicContact CG2-CD2 4.34Å; V249-Y253 HydrophobicContact CG2-CG 3.76Å | ||
| 250 | W | 92.6 | Very high | 93.4 | Very high | 96 Ų | 96 | 47.4 Ų | 47.4 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | trans | -83 | 161 | -179.9 | 50 | 75.7 | 0 | 0 | 0 | 113 | Y209 S213 G252 Y253 | Y209-W250 HydrophobicContact CD2-CB 4.19Å; Y209-W250 HydrophobicContact CD2-CG 4.19Å; S213-W250 WeakPolarHBondContact OG-CH2 3.26Å; S213-W250 WeakPolarHBondContact OG-CZ2 3.49Å; W250-G252 PolarHBondContact O-N 2.67Å; W250-Y253 HydrophobicContact CD2-CD2 4.22Å; W250-Y253 AromaticContact CE2-CD2 3.67Å; W250-Y253 HydrophobicContact CH2-CD2 4.38Å; W250-Y253 HydrophobicContact CH2-CE2 4.24Å; W250-Y253 AromaticContact CZ2-CD2 3.78Å; W250-Y253 HydrophobicContact CZ2-CD2 3.78Å; W250-Y253 AromaticContact CZ2-CE2 3.95Å; W250-Y253 HydrophobicContact CZ2-CE2 3.95Å; W250-Y253 AromaticContact NE1-CD2 3.8Å; W250-Y253 WeakPolarHBondContact O-CB 3.43Å; W250-Y253 PolarHBondContact O-N 3.09Å | ||
| 251 | P | 95.9 | Very high | 93.4 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 130.9 | 171.2 | -23.4 | 34.4 | 0 | 0 | 0 | 111.2 | E206 V208 Y209 R242 | E206-P251 HydrophobicContact CG-CG 4.4Å; V208-P251 CarbonylContact C-O 3.55Å; V208-P251 WeakPolarHBondContact CA-O 3.31Å; V208-P251 HydrophobicContact CG1-CB 4.43Å; V208-P251 WeakPolarHBondContact CG1-O 3.25Å; V208-P251 HydrophobicContact CG2-CB 4.28Å; Y209-P251 PolarHBondContact N-O 2.97Å; R242-P251 HydrophobicContact CB-CB 4.36Å; R242-P251 VanDerWaalsContact O-CA 3.28Å; R242-P251 WeakPolarHBondContact O-CA 3.3Å; R242-P251 WeakPolarHBondContact O-CB 3.4Å |
| 252 | G | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | -12.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V208 Y209 F241 W250 D254 Y255 | V208-G252 VanDerWaalsContact CG1-CA 3.47Å; Y209-G252 CarbonylContact O-C 3.54Å; F241-G252 WeakPolarHBondContact O-CA 3.41Å; F241-G252 PolarHBondContact O-N 3.33Å; W250-G252 PolarHBondContact O-N 2.67Å; G252-D254 VanDerWaalsContact C-N 3.33Å; G252-D254 PolarHBondContact O-N 3.19Å; G252-D254 VanDerWaalsContact O-N 3.08Å; G252-Y255 PolarHBondContact O-N 2.89Å |
| 253 | Y | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -43.9 | -166.2 | -172.4 | -90.5 | 0 | 0 | 0 | 115.4 | R135 S213 Q230 V249 W250 Y255 | R135-Y253 WeakPolarHBondContact CB-OH 3.44Å; R135-Y253 WeakPolarHBondContact CD-OH 3.47Å; R135-Y253 VanDerWaalsContact CG-OH 3.32Å; R135-Y253 WeakPolarHBondContact CG-OH 3.4Å; S213-Y253 WeakPolarHBondContact OG-CE2 3.36Å; Q230-Y253 PolarHBondContact NE2-O 2.9Å; Q230-Y253 PolarHBondContact OE1-O 3Å; V249-Y253 HydrophobicContact CB-CD1 4.18Å; V249-Y253 HydrophobicContact CB-CD2 3.65Å; V249-Y253 HydrophobicContact CB-CE2 4.3Å; V249-Y253 HydrophobicContact CB-CG 3.59Å; V249-Y253 HydrophobicContact CG1-CD1 4.06Å; V249-Y253 HydrophobicContact CG1-CD2 3.83Å; V249-Y253 HydrophobicContact CG1-CE1 4.22Å; V249-Y253 HydrophobicContact CG1-CE2 3.97Å; V249-Y253 HydrophobicContact CG1-CG 3.88Å; V249-Y253 HydrophobicContact CG2-CD1 4.14Å; V249-Y253 HydrophobicContact CG2-CD2 4.34Å; V249-Y253 HydrophobicContact CG2-CG 3.76Å; W250-Y253 HydrophobicContact CD2-CD2 4.22Å; W250-Y253 AromaticContact CE2-CD2 3.67Å; W250-Y253 HydrophobicContact CH2-CD2 4.38Å; W250-Y253 HydrophobicContact CH2-CE2 4.24Å; W250-Y253 AromaticContact CZ2-CD2 3.78Å; W250-Y253 HydrophobicContact CZ2-CD2 3.78Å; W250-Y253 AromaticContact CZ2-CE2 3.95Å; W250-Y253 HydrophobicContact CZ2-CE2 3.95Å; W250-Y253 AromaticContact NE1-CD2 3.8Å; W250-Y253 WeakPolarHBondContact O-CB 3.43Å; W250-Y253 PolarHBondContact O-N 3.09Å; Y253-Y255 PolarHBondContact O-N 3Å |
| 254 | D | 95.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 3.4 | -176.1 | -60.9 | -1.8 | 0 | 0 | 0 | 114.3 | S244 Q245 G252 S360 | S244-D254 VanDerWaalsContact CA-OD2 3.29Å; S244-D254 WeakPolarHBondContact CA-OD2 3.25Å; S244-D254 VanDerWaalsContact CB-OD1 3.23Å; S244-D254 WeakPolarHBondContact CB-OD1 3.46Å; S244-D254 PolarHBondContact OG-OD1 2.83Å; Q245-D254 PolarHBondContact N-OD2 3.4Å; G252-D254 VanDerWaalsContact C-N 3.33Å; G252-D254 PolarHBondContact O-N 3.19Å; G252-D254 VanDerWaalsContact O-N 3.08Å; D254-S360 WeakPolarHBondContact O-CA 3.29Å; D254-S360 WeakPolarHBondContact O-CB 3.48Å |
| 255 | Y | 97.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | trans | -136.2 | 127.8 | -171.1 | -75.8 | -85.2 | 0 | 0 | 0 | 112.9 | L210 G237 L238 F241 G252 Y253 N288 A331 L358 F359 S360 | L210-Y255 CarbonylContact C-O 3.57Å; L210-Y255 WeakPolarHBondContact CA-O 3.32Å; L210-Y255 WeakPolarHBondContact CB-O 3.32Å; G237-Y255 PolarHBondContact O-OH 3.01Å; G237-Y255 VanDerWaalsContact O-OH 3.13Å; L238-Y255 VanDerWaalsContact O-CE2 3.3Å; L238-Y255 WeakPolarHBondContact O-CE2 3.25Å; L238-Y255 PolarHBondContact O-OH 2.93Å; F241-Y255 HydrophobicContact CB-CD2 3.52Å; F241-Y255 HydrophobicContact CB-CE2 3.57Å; F241-Y255 HydrophobicContact CB-CG 4.2Å; G252-Y255 PolarHBondContact O-N 2.89Å; Y253-Y255 PolarHBondContact O-N 3Å; Y255-N288 HydrophobicContact CD1-CB 4.3Å; Y255-N288 HydrophobicContact CE1-CB 3.61Å; Y255-N288 PolarHBondContact OH-ND2 2.84Å; Y255-A331 WeakPolarHBondContact OH-CB 3.23Å; Y255-L358 HydrophobicContact CD1-CB 3.77Å; Y255-L358 HydrophobicContact CE1-CB 4.41Å; Y255-L358 HydrophobicContact CG-CB 4.29Å; Y255-F359 WeakPolarHBondContact CA-O 3.43Å; Y255-S360 WeakPolarHBondContact CD1-OG 3.46Å; Y255-S360 WeakPolarHBondContact CE1-OG 3.3Å | ||
| 256 | V | 98.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.4 | 162.7 | -163.4 | 0 | 0 | 0 | 0 | 108.4 | L210 D212 Q230 L231 W258 F359 | L210-V256 CarbonylContact O-C 3.55Å; L210-V256 WeakPolarHBondContact O-CA 3.09Å; D212-V256 HydrophobicContact CB-CG1 4.26Å; D212-V256 HydrophobicContact CB-CG2 3.72Å; D212-V256 WeakPolarHBondContact OD2-CG2 3.21Å; Q230-V256 HydrophobicContact CB-CG2 4.36Å; L231-V256 HydrophobicContact CD1-CB 4.32Å; L231-V256 HydrophobicContact CD1-CG2 4.32Å; L231-V256 HydrophobicContact CD2-CB 3.99Å; L231-V256 HydrophobicContact CD2-CG2 3.85Å; L231-V256 HydrophobicContact CG-CB 4.17Å; L231-V256 HydrophobicContact CG-CG2 3.76Å; V256-W258 HydrophobicContact CB-CH2 3.92Å; V256-W258 HydrophobicContact CB-CZ2 4.18Å; V256-W258 HydrophobicContact CG1-CH2 3.74Å; V256-W258 HydrophobicContact CG1-CZ2 3.47Å; V256-W258 VanDerWaalsContact CG1-CZ2 3.47Å; V256-W258 WeakPolarHBondContact O-CZ3 3.5Å; V256-F359 PolarHBondContact N-O 3.46Å; V256-F359 PolarHBondContact O-N 3.38Å |
| 257 | G | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 150.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G199 Q200 L210 L357 | G199-G257 CarbonylContact C-O 3.37Å; G199-G257 WeakPolarHBondContact CA-O 3.25Å; Q200-G257 PolarHBondContact N-O 3.36Å; L210-G257 PolarHBondContact O-N 2.74Å; G257-L357 CarbonylContact C-O 3.6Å; G257-L357 WeakPolarHBondContact CA-O 3.4Å |
| 258 | W | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 146.6 | -174.3 | -51.7 | -88.1 | 0 | 0 | 0 | 111.2 | P197 L231 V256 F263 V268 M270 F352 W356 L357 F359 | P197-W258 PolarHBondContact O-NE1 2.75Å; L231-W258 HydrophobicContact CD1-CH2 4.2Å; V256-W258 HydrophobicContact CB-CH2 3.92Å; V256-W258 HydrophobicContact CB-CZ2 4.18Å; V256-W258 HydrophobicContact CG1-CH2 3.74Å; V256-W258 HydrophobicContact CG1-CZ2 3.47Å; V256-W258 VanDerWaalsContact CG1-CZ2 3.47Å; V256-W258 WeakPolarHBondContact O-CZ3 3.5Å; W258-F263 HydrophobicContact CB-CE2 3.86Å; W258-F263 HydrophobicContact CG-CE2 4.28Å; W258-F263 HydrophobicContact CG-CZ 4.49Å; W258-V268 HydrophobicContact CB-CG2 3.78Å; W258-V268 HydrophobicContact CD2-CG1 4Å; W258-V268 HydrophobicContact CD2-CG2 3.9Å; W258-V268 HydrophobicContact CE3-CG1 4.24Å; W258-V268 HydrophobicContact CE3-CG2 3.98Å; W258-V268 HydrophobicContact CG-CG1 4.41Å; W258-V268 HydrophobicContact CG-CG2 3.83Å; W258-M270 HydrophobicContact CH2-CE 3.19Å; W258-M270 HydrophobicContact CZ2-CE 3.6Å; W258-M270 HydrophobicContact CZ3-CE 3.84Å; W258-F352 HydrophobicContact CB-CZ 4.2Å; W258-F352 WeakPolarHBondContact O-CE1 3.29Å; W258-W356 WeakPolarHBondContact O-CA 3.32Å; W258-L357 HydrophobicContact CE3-CB 4.49Å; W258-L357 PolarHBondContact N-O 2.92Å; W258-L357 PolarHBondContact O-N 3.38Å; W258-F359 HydrophobicContact CH2-CD2 4.1Å; W258-F359 AromaticContact CZ3-CD2 3.63Å; W258-F359 HydrophobicContact CZ3-CD2 3.63Å; W258-F359 AromaticContact CZ3-CE2 4Å; W258-F359 HydrophobicContact CZ3-CE2 4Å; W258-F359 HydrophobicContact CZ3-CG 4.19Å |
| 259 | S | 97.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.3 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | Q200 H261 S262 F263 P355 | Q200-S259 PolarHBondContact OE1-OG 2.86Å; S259-H261 PolarHBondContact O-N 3.05Å; S259-H261 VanDerWaalsContact O-N 3.16Å; S259-S262 WeakPolarHBondContact O-CB 3.47Å; S259-S262 PolarHBondContact O-N 2.94Å; S259-S262 PolarHBondContact OG-OG 2.99Å; S259-F263 WeakPolarHBondContact O-CD2 3.3Å; S259-P355 WeakPolarHBondContact CA-O 3.22Å |
| 260 | N | 96.6 | Very high | 95.9 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -56 | -35.2 | 178.2 | -173 | 29.2 | 0 | 0 | 0 | 112.1 | S262 F263 F352 P355 | N260-S262 PolarHBondContact O-N 2.87Å; N260-S262 VanDerWaalsContact O-N 3.14Å; N260-F263 PolarHBondContact O-N 3.24Å; N260-F352 HydrophobicContact CB-CB 4.04Å; N260-F352 HydrophobicContact CB-CD1 3.67Å; N260-F352 HydrophobicContact CB-CD2 4.07Å; N260-F352 HydrophobicContact CB-CE1 4.11Å; N260-F352 HydrophobicContact CB-CE2 4.48Å; N260-F352 HydrophobicContact CB-CG 3.67Å; N260-F352 HydrophobicContact CB-CZ 4.5Å; N260-F352 VanDerWaalsContact OD1-CD2 3.26Å; N260-F352 WeakPolarHBondContact OD1-CD2 3.21Å; N260-F352 WeakPolarHBondContact OD1-CG 3.39Å; N260-P355 PolarHBondContact N-O 2.94Å |
| 261 | H | 94.1 | Very high | 96.1 | Very high | 173 Ų | 173 | 37.9 Ų | 37.9 | 80% | 0.801 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -61.1 | -21.4 | 178 | -64.5 | -71.2 | 0 | 0 | 0 | 114.3 | S259 | S259-H261 PolarHBondContact O-N 3.05Å; S259-H261 VanDerWaalsContact O-N 3.16Å |
| 262 | S | 93 | Very high | 96.2 | Very high | 64 Ų | 64 | 36.4 Ų | 36.4 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -84.4 | -13.7 | 177.1 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | Q200 S259 N260 | Q200-S262 VanDerWaalsContact NE2-CB 3.32Å; Q200-S262 PolarHBondContact NE2-OG 3.02Å; Q200-S262 PolarHBondContact OE1-OG 2.86Å; S259-S262 WeakPolarHBondContact O-CB 3.47Å; S259-S262 PolarHBondContact O-N 2.94Å; S259-S262 PolarHBondContact OG-OG 2.99Å; N260-S262 PolarHBondContact O-N 2.87Å; N260-S262 VanDerWaalsContact O-N 3.14Å |
| 263 | F | 95.1 | Very high | 96.3 | Very high | 38 Ų | 38 | 39 Ų | 39 | 17% | 0.167 | 22% | 0.218 | C | C | . | . | trans | -123.4 | 90 | -170.8 | -67.9 | -91.2 | 0 | 0 | 0 | 110.7 | P197 W258 S259 N260 S265 G266 F352 | P197-F263 HydrophobicContact CB-CE1 4.09Å; P197-F263 HydrophobicContact CB-CZ 3.74Å; P197-F263 HydrophobicContact CG-CE1 3.77Å; P197-F263 HydrophobicContact CG-CZ 3.86Å; W258-F263 HydrophobicContact CB-CE2 3.86Å; W258-F263 HydrophobicContact CG-CE2 4.28Å; W258-F263 HydrophobicContact CG-CZ 4.49Å; S259-F263 WeakPolarHBondContact O-CD2 3.3Å; N260-F263 PolarHBondContact O-N 3.24Å; F263-S265 PolarHBondContact O-N 2.65Å; F263-G266 PolarHBondContact O-N 3.21Å; F263-F352 HydrophobicContact CB-CE2 3.88Å; F263-F352 HydrophobicContact CD2-CE2 4.14Å; F263-F352 AromaticContact CD2-CZ 3.98Å; F263-F352 HydrophobicContact CD2-CZ 3.98Å; F263-F352 HydrophobicContact CG-CE2 4.16Å; F263-F352 HydrophobicContact CG-CZ 4.45Å | ||
| 264 | S | 92.7 | Very high | 96.2 | Very high | 140 Ų | 140 | 39 Ų | 39 | 98% | 0.979 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -13.3 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 265 | S | 93.1 | Very high | 96 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.3 | 170.3 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | F263 Y267 | F263-S265 PolarHBondContact O-N 2.65Å; S265-Y267 VanDerWaalsContact C-N 3.29Å; S265-Y267 WeakPolarHBondContact O-CD1 3.09Å; S265-Y267 WeakPolarHBondContact O-CE1 3.4Å; S265-Y267 PolarHBondContact OG-N 2.87Å; S265-Y267 PolarHBondContact OG-O 2.59Å |
| 266 | G | 94.7 | Very high | 95.7 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 27% | 0.268 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 73.5 | 14.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F263 F352 | F263-G266 PolarHBondContact O-N 3.21Å; G266-F352 PolarHBondContact O-N 3.43Å |
| 267 | Y | 96.8 | Very high | 95.5 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 24% | 0.235 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.3 | 174.7 | 54.7 | -95.6 | 0 | 0 | 0 | 113.7 | S265 E269 R349 F350 L351 | S265-Y267 VanDerWaalsContact C-N 3.29Å; S265-Y267 WeakPolarHBondContact O-CD1 3.09Å; S265-Y267 WeakPolarHBondContact O-CE1 3.4Å; S265-Y267 PolarHBondContact OG-N 2.87Å; S265-Y267 PolarHBondContact OG-O 2.59Å; Y267-E269 HydrophobicContact CD2-CB 4.16Å; Y267-E269 HydrophobicContact CE2-CB 4.14Å; Y267-R349 HydrophobicContact CD2-CB 3.86Å; Y267-R349 HydrophobicContact CD2-CG 3.71Å; Y267-R349 HydrophobicContact CE2-CB 4.4Å; Y267-R349 HydrophobicContact CE2-CG 3.79Å; Y267-R349 HydrophobicContact CG-CB 4.08Å; Y267-R349 HydrophobicContact CG-CG 4.36Å; Y267-F350 WeakPolarHBondContact CA-O 3.43Å; Y267-F350 VanDerWaalsContact CB-O 3.29Å; Y267-F350 WeakPolarHBondContact CB-O 3.38Å; Y267-L351 HydrophobicContact CD1-CD2 4.36Å |
| 268 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.6 | 160.2 | -177.2 | 0 | 0 | 0 | 0 | 108 | P197 W258 M270 R349 F350 F352 L357 | P197-V268 HydrophobicContact CG-CG1 4.2Å; W258-V268 HydrophobicContact CB-CG2 3.78Å; W258-V268 HydrophobicContact CD2-CG1 4Å; W258-V268 HydrophobicContact CD2-CG2 3.9Å; W258-V268 HydrophobicContact CE3-CG1 4.24Å; W258-V268 HydrophobicContact CE3-CG2 3.98Å; W258-V268 HydrophobicContact CG-CG1 4.41Å; W258-V268 HydrophobicContact CG-CG2 3.83Å; V268-M270 HydrophobicContact CG1-CE 4.09Å; V268-M270 HydrophobicContact CG1-CG 4.42Å; V268-R349 CarbonylContact O-C 3.3Å; V268-R349 WeakPolarHBondContact O-CA 3.41Å; V268-F350 PolarHBondContact N-O 3.26Å; V268-F350 PolarHBondContact O-N 2.94Å; V268-F352 HydrophobicContact CG2-CE1 4.34Å; V268-F352 HydrophobicContact CG2-CE2 3.96Å; V268-F352 HydrophobicContact CG2-CZ 3.54Å; V268-L357 HydrophobicContact CG2-CD1 4.12Å |
| 269 | E | 97.5 | Very high | 95.2 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.8 | 173.9 | -175.1 | 169.6 | 81.8 | 0 | 0 | 110 | P197 Y267 Q347 C348 R349 | P197-E269 WeakPolarHBondContact CD-O 3.5Å; Y267-E269 HydrophobicContact CD2-CB 4.16Å; Y267-E269 HydrophobicContact CE2-CB 4.14Å; E269-Q347 HydrophobicContact CG-CG 4.04Å; E269-C348 WeakPolarHBondContact CA-O 3.26Å; E269-R349 HydrophobicContact CB-CG 4.33Å; E269-R349 HydrophobicContact CG-CG 4.14Å; E269-R349 IonicContact OE2-CZ 3.46Å; E269-R349 IonicContact OE2-NE 3.77Å; E269-R349 PolarHBondContact OE2-NE 2.94Å; E269-R349 IonicContact OE2-NH2 3.16Å; E269-R349 PolarHBondContact OE2-NH2 3.23Å |
| 270 | M | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.4 | 176.2 | -63.2 | -179.8 | 176.7 | 0 | 0 | 110.9 | T195 A196 L231 W258 V268 F272 Q347 C348 F350 F359 I362 | T195-M270 CarbonylContact O-C 3.49Å; T195-M270 WeakPolarHBondContact O-CA 3.24Å; T195-M270 WeakPolarHBondContact O-CB 3.44Å; A196-M270 HydrophobicContact CB-CE 4.12Å; A196-M270 HydrophobicContact CB-CG 3.97Å; A196-M270 HydrophobicContact CB-SD 4.44Å; L231-M270 HydrophobicContact CD1-CE 3.98Å; W258-M270 HydrophobicContact CH2-CE 3.19Å; W258-M270 HydrophobicContact CZ2-CE 3.6Å; W258-M270 HydrophobicContact CZ3-CE 3.84Å; V268-M270 HydrophobicContact CG1-CE 4.09Å; V268-M270 HydrophobicContact CG1-CG 4.42Å; M270-F272 HydrophobicContact CB-CD2 4.44Å; M270-F272 HydrophobicContact CB-CE2 3.59Å; M270-F272 HydrophobicContact CB-CZ 3.78Å; M270-F272 HydrophobicContact CG-CZ 4.44Å; M270-F272 HydrophobicContact SD-CE2 4.46Å; M270-F272 HydrophobicContact SD-CZ 3.77Å; M270-Q347 CarbonylContact O-C 3.54Å; M270-Q347 WeakPolarHBondContact O-CA 3.44Å; M270-C348 PolarHBondContact N-O 2.97Å; M270-C348 PolarHBondContact O-N 3.32Å; M270-F350 HydrophobicContact CB-CE2 4.32Å; M270-F350 HydrophobicContact CG-CE2 4.14Å; M270-F350 HydrophobicContact SD-CD2 4.38Å; M270-F350 HydrophobicContact SD-CE2 3.77Å; M270-F359 HydrophobicContact CE-CD2 3.99Å; M270-F359 HydrophobicContact CE-CE2 4.11Å; M270-I362 HydrophobicContact CE-CD1 4.46Å; M270-I362 HydrophobicContact SD-CD1 3.81Å |
| 271 | E | 97.4 | Very high | 94.9 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.8 | 167.6 | -62.6 | -153.9 | -179.3 | 0 | 0 | 111.6 | Y194 T195 R306 L346 Q347 | Y194-E271 CarbonylContact C-O 3.6Å; Y194-E271 VanDerWaalsContact CA-O 3.25Å; Y194-E271 WeakPolarHBondContact CA-O 3.18Å; T195-E271 PolarHBondContact N-O 2.54Å; T195-E271 PolarHBondContact O-N 2.88Å; E271-R306 IonicContact OE2-NH2 3.05Å; E271-R306 PolarHBondContact OE2-NH2 3.32Å; E271-L346 CarbonylContact C-O 3.55Å; E271-L346 VanDerWaalsContact CA-O 3.28Å; E271-L346 WeakPolarHBondContact CA-O 3.41Å; E271-Q347 HydrophobicContact CG-CB 3.97Å; E271-Q347 HydrophobicContact CG-CG 4.03Å; E271-Q347 PolarHBondContact OE1-NE2 2.91Å |
| 272 | F | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.8 | -177.1 | -58.9 | -91.6 | 0 | 0 | 0 | 109.3 | L191 Y194 M270 F274 F345 L346 C348 I362 F364 | L191-F272 HydrophobicContact CD1-CB 3.65Å; L191-F272 HydrophobicContact CD1-CD1 3.82Å; L191-F272 HydrophobicContact CD1-CG 4.24Å; L191-F272 HydrophobicContact CD2-CD1 4.28Å; Y194-F272 HydrophobicContact CG-CE1 4.49Å; M270-F272 HydrophobicContact CB-CD2 4.44Å; M270-F272 HydrophobicContact CB-CE2 3.59Å; M270-F272 HydrophobicContact CB-CZ 3.78Å; M270-F272 HydrophobicContact CG-CZ 4.44Å; M270-F272 HydrophobicContact SD-CE2 4.46Å; M270-F272 HydrophobicContact SD-CZ 3.77Å; F272-F274 HydrophobicContact CB-CE2 3.63Å; F272-F274 HydrophobicContact CB-CZ 3.97Å; F272-F345 VanDerWaalsContact O-CA 3.31Å; F272-F345 WeakPolarHBondContact O-CA 3.35Å; F272-L346 HydrophobicContact CB-CB 4.32Å; F272-L346 HydrophobicContact CD2-CB 4.42Å; F272-L346 PolarHBondContact N-O 3.44Å; F272-L346 PolarHBondContact O-N 3.41Å; F272-C348 HydrophobicContact CE2-CB 4.24Å; F272-I362 HydrophobicContact CE1-CD1 4.14Å; F272-I362 HydrophobicContact CE1-CG2 3.98Å; F272-I362 HydrophobicContact CZ-CD1 3.93Å; F272-I362 HydrophobicContact CZ-CG2 4.16Å; F272-F364 HydrophobicContact CB-CZ 4.24Å; F272-F364 AromaticContact CD1-CE2 3.64Å; F272-F364 HydrophobicContact CD1-CE2 3.64Å; F272-F364 AromaticContact CD1-CZ 3.49Å; F272-F364 HydrophobicContact CD1-CZ 3.49Å; F272-F364 VanDerWaalsContact CD1-CZ 3.49Å; F272-F364 AromaticContact CD2-CZ 3.97Å; F272-F364 HydrophobicContact CD2-CZ 3.97Å; F272-F364 AromaticContact CE1-CE2 3.96Å; F272-F364 HydrophobicContact CE1-CE2 3.96Å; F272-F364 AromaticContact CE1-CZ 3.72Å; F272-F364 HydrophobicContact CE1-CZ 3.72Å; F272-F364 HydrophobicContact CE2-CZ 4.17Å; F272-F364 HydrophobicContact CG-CE2 4.15Å; F272-F364 AromaticContact CG-CZ 3.63Å; F272-F364 HydrophobicContact CG-CZ 3.63Å; F272-F364 HydrophobicContact CZ-CZ 4.06Å |
| 273 | E | 95.9 | Very high | 95 | Very high | 55 Ų | 55 | 40.4 Ų | 40.4 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.8 | 174 | 177.4 | 172.6 | 175.8 | 0 | 0 | 110.8 | L192 S193 R344 F345 | L192-E273 HydrophobicContact CD1-CG 4.3Å; L192-E273 PolarHBondContact N-O 2.88Å; S193-E273 PolarHBondContact O-N 2.94Å; E273-R344 IonicContact OE1-CZ 2.75Å; E273-R344 IonicContact OE1-NE 3.38Å; E273-R344 IonicContact OE1-NH2 2.69Å; E273-R344 PolarHBondContact OE1-NH2 3.31Å; E273-F345 HydrophobicContact CB-CD1 3.95Å; E273-F345 HydrophobicContact CB-CE1 3.85Å; E273-F345 HydrophobicContact CG-CD1 4.02Å; E273-F345 HydrophobicContact CG-CE1 3.51Å; E273-F345 HydrophobicContact CG-CZ 3.99Å; E273-F345 WeakPolarHBondContact OE2-CE1 3.5Å |
| 274 | F | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 160 | -179 | -61.2 | -95.8 | 0 | 0 | 0 | 112.8 | G190 L191 F272 R276 F280 R344 L346 F364 | G190-F274 CarbonylContact O-C 3.51Å; G190-F274 WeakPolarHBondContact O-CA 3.34Å; L191-F274 HydrophobicContact CB-CD1 4.22Å; L191-F274 HydrophobicContact CB-CE1 3.99Å; L191-F274 HydrophobicContact CD1-CD1 4.35Å; L191-F274 HydrophobicContact CD1-CE1 3.87Å; L191-F274 HydrophobicContact CD1-CE2 4.15Å; L191-F274 HydrophobicContact CD1-CZ 3.76Å; F272-F274 HydrophobicContact CB-CE2 3.63Å; F272-F274 HydrophobicContact CB-CZ 3.97Å; F274-R276 VanDerWaalsContact C-N 3.3Å; F274-R276 PolarHBondContact O-N 2.89Å; F274-F280 HydrophobicContact CB-CZ 4.49Å; F274-F280 HydrophobicContact CD1-CE1 4.01Å; F274-F280 AromaticContact CD1-CZ 3.95Å; F274-F280 HydrophobicContact CD1-CZ 3.95Å; F274-F280 HydrophobicContact CD2-CE1 4.11Å; F274-F280 AromaticContact CD2-CZ 3.53Å; F274-F280 HydrophobicContact CD2-CZ 3.53Å; F274-F280 AromaticContact CE1-CE1 3.69Å; F274-F280 HydrophobicContact CE1-CE1 3.69Å; F274-F280 HydrophobicContact CE1-CZ 4.04Å; F274-F280 AromaticContact CE2-CE1 3.79Å; F274-F280 HydrophobicContact CE2-CE1 3.79Å; F274-F280 AromaticContact CE2-CZ 3.63Å; F274-F280 HydrophobicContact CE2-CZ 3.63Å; F274-F280 HydrophobicContact CG-CE1 4.23Å; F274-F280 AromaticContact CG-CZ 3.71Å; F274-F280 HydrophobicContact CG-CZ 3.71Å; F274-F280 AromaticContact CZ-CE1 3.58Å; F274-F280 HydrophobicContact CZ-CE1 3.58Å; F274-F280 AromaticContact CZ-CZ 3.89Å; F274-F280 HydrophobicContact CZ-CZ 3.89Å; F274-R344 WeakPolarHBondContact CD2-O 3.12Å; F274-R344 PolarHBondContact N-O 3.18Å; F274-R344 VanDerWaalsContact O-CG 3.28Å; F274-R344 WeakPolarHBondContact O-CG 3.44Å; F274-R344 PolarHBondContact O-NE 3.17Å; F274-L346 HydrophobicContact CE2-CB 4.5Å; F274-L346 HydrophobicContact CE2-CD1 3.87Å; F274-L346 HydrophobicContact CE2-CG 3.96Å; F274-L346 HydrophobicContact CZ-CD1 4.14Å; F274-F364 HydrophobicContact CE1-CB 3.9Å; F274-F364 HydrophobicContact CE1-CD1 4.33Å; F274-F364 AromaticContact CE1-CD2 3.64Å; F274-F364 HydrophobicContact CE1-CD2 3.64Å; F274-F364 HydrophobicContact CE1-CE2 4.26Å; F274-F364 AromaticContact CE1-CG 3.69Å; F274-F364 HydrophobicContact CE1-CG 3.69Å; F274-F364 HydrophobicContact CZ-CB 4.19Å; F274-F364 AromaticContact CZ-CD1 3.75Å; F274-F364 HydrophobicContact CZ-CD1 3.75Å; F274-F364 AromaticContact CZ-CD2 3.54Å; F274-F364 HydrophobicContact CZ-CD2 3.54Å; F274-F364 AromaticContact CZ-CE1 3.96Å; F274-F364 HydrophobicContact CZ-CE1 3.96Å; F274-F364 AromaticContact CZ-CE2 3.77Å; F274-F364 HydrophobicContact CZ-CE2 3.77Å; F274-F364 AromaticContact CZ-CG 3.54Å; F274-F364 HydrophobicContact CZ-CG 3.54Å; F274-F364 AromaticContact CZ-CZ 3.98Å; F274-F364 HydrophobicContact CZ-CZ 3.98Å |
| 275 | D | 91.5 | Very high | 95.1 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 23% | 0.225 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | -32.2 | -176.3 | 81.8 | -52.6 | 0 | 0 | 0 | 114 | L94 G190 L192 R278 | L94-D275 HydrophobicContact CD1-CB 3.96Å; G190-D275 PolarHBondContact O-N 2.87Å; L192-D275 HydrophobicContact CD2-CB 4.48Å; L192-D275 HydrophobicContact CG-CB 4.3Å; D275-R278 IonicContact OD1-CZ 3.86Å; D275-R278 VanDerWaalsContact OD1-CZ 3.3Å; D275-R278 IonicContact OD1-NE 3.65Å; D275-R278 PolarHBondContact OD1-NE 3Å; D275-R278 IonicContact OD1-NH2 2.71Å; D275-R278 PolarHBondContact OD1-NH2 2.75Å |
| 276 | R | 91.8 | Very high | 95.2 | Very high | 122 Ų | 122 | 30.6 Ų | 30.6 | 46% | 0.46 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 170.7 | -172.1 | -69.6 | 169.2 | -151.2 | -114.5 | -8.6 | 111.1 | F274 R278 V368 | F274-R276 VanDerWaalsContact C-N 3.3Å; F274-R276 PolarHBondContact O-N 2.89Å; R276-R278 PolarHBondContact O-N 2.96Å; R276-V368 HydrophobicContact CB-CG1 4.17Å; R276-V368 HydrophobicContact CG-CG1 4.45Å |
| 277 | L | 93.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 29.3 Ų | 29.3 | 22% | 0.215 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 126.2 | 161.5 | -80.5 | 161.6 | 0 | 0 | 0 | 109.3 | R307 V342 A343 R344 V369 | L277-R307 HydrophobicContact CD2-CB 3.92Å; L277-R307 HydrophobicContact CD2-CG 4Å; L277-V342 HydrophobicContact CB-CG1 4.5Å; L277-V342 HydrophobicContact CD2-CG1 4.15Å; L277-A343 CarbonylContact C-O 3.26Å; L277-A343 WeakPolarHBondContact CA-O 3.41Å; L277-R344 HydrophobicContact CD2-CB 4.38Å; L277-V369 HydrophobicContact CB-CB 4.43Å; L277-V369 PolarHBondContact O-N 2.93Å |
| 278 | R | 94.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.5 | -173.6 | -77.8 | 166.3 | 174.2 | -92.9 | 4.1 | 111 | R188 D189 G190 D275 R276 F280 V342 A343 S366 D367 V368 | R188-R278 PolarHBondContact O-NH1 2.86Å; R188-R278 PolarHBondContact O-NH2 3.22Å; D189-R278 PolarHBondContact O-NH1 2.95Å; G190-R278 VanDerWaalsContact CA-NH2 3.33Å; D275-R278 IonicContact OD1-CZ 3.86Å; D275-R278 VanDerWaalsContact OD1-CZ 3.3Å; D275-R278 IonicContact OD1-NE 3.65Å; D275-R278 PolarHBondContact OD1-NE 3Å; D275-R278 IonicContact OD1-NH2 2.71Å; D275-R278 PolarHBondContact OD1-NH2 2.75Å; R276-R278 PolarHBondContact O-N 2.96Å; R278-F280 HydrophobicContact CB-CD2 4.39Å; R278-F280 HydrophobicContact CB-CE1 4.48Å; R278-F280 HydrophobicContact CB-CE2 3.75Å; R278-F280 HydrophobicContact CB-CZ 3.8Å; R278-F280 VanDerWaalsContact O-CD2 3.31Å; R278-F280 WeakPolarHBondContact O-CD2 3.42Å; R278-F280 WeakPolarHBondContact O-CE2 3.29Å; R278-V342 CarbonylContact O-C 3.52Å; R278-V342 VanDerWaalsContact O-CA 3.29Å; R278-V342 WeakPolarHBondContact O-CA 3.37Å; R278-A343 PolarHBondContact N-O 2.73Å; R278-A343 PolarHBondContact O-N 2.63Å; R278-S366 PolarHBondContact NH1-OG 2.71Å; R278-D367 CarbonylContact C-O 3.5Å; R278-D367 WeakPolarHBondContact CA-O 3.32Å; R278-V368 HydrophobicContact CG-CG2 4.26Å |
| 279 | A | 94.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q281 V342 S366 D367 V369 | A279-Q281 PolarHBondContact O-N 3.05Å; A279-V342 HydrophobicContact CB-CG2 4.15Å; A279-S366 VanDerWaalsContact O-CA 3.22Å; A279-S366 WeakPolarHBondContact O-CA 3.13Å; A279-S366 WeakPolarHBondContact O-CB 3.39Å; A279-D367 PolarHBondContact N-O 2.85Å; A279-D367 PolarHBondContact O-N 2.96Å; A279-D367 VanDerWaalsContact O-N 3.08Å; A279-V369 HydrophobicContact CB-CG2 4.05Å |
| 280 | F | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 109.1 | -172.7 | -71 | -85.6 | 0 | 0 | 0 | 111.4 | F274 R278 F305 L338 G339 G340 R341 A343 L346 F364 | F274-F280 HydrophobicContact CB-CZ 4.49Å; F274-F280 HydrophobicContact CD1-CE1 4.01Å; F274-F280 AromaticContact CD1-CZ 3.95Å; F274-F280 HydrophobicContact CD1-CZ 3.95Å; F274-F280 HydrophobicContact CD2-CE1 4.11Å; F274-F280 AromaticContact CD2-CZ 3.53Å; F274-F280 HydrophobicContact CD2-CZ 3.53Å; F274-F280 AromaticContact CE1-CE1 3.69Å; F274-F280 HydrophobicContact CE1-CE1 3.69Å; F274-F280 HydrophobicContact CE1-CZ 4.04Å; F274-F280 AromaticContact CE2-CE1 3.79Å; F274-F280 HydrophobicContact CE2-CE1 3.79Å; F274-F280 AromaticContact CE2-CZ 3.63Å; F274-F280 HydrophobicContact CE2-CZ 3.63Å; F274-F280 HydrophobicContact CG-CE1 4.23Å; F274-F280 AromaticContact CG-CZ 3.71Å; F274-F280 HydrophobicContact CG-CZ 3.71Å; F274-F280 AromaticContact CZ-CE1 3.58Å; F274-F280 HydrophobicContact CZ-CE1 3.58Å; F274-F280 AromaticContact CZ-CZ 3.89Å; F274-F280 HydrophobicContact CZ-CZ 3.89Å; R278-F280 HydrophobicContact CB-CD2 4.39Å; R278-F280 HydrophobicContact CB-CE1 4.48Å; R278-F280 HydrophobicContact CB-CE2 3.75Å; R278-F280 HydrophobicContact CB-CZ 3.8Å; R278-F280 VanDerWaalsContact O-CD2 3.31Å; R278-F280 WeakPolarHBondContact O-CD2 3.42Å; R278-F280 WeakPolarHBondContact O-CE2 3.29Å; F280-F305 HydrophobicContact CB-CE1 4.4Å; F280-L338 HydrophobicContact CB-CB 3.83Å; F280-L338 HydrophobicContact CB-CD1 3.76Å; F280-L338 HydrophobicContact CB-CG 4.47Å; F280-L338 HydrophobicContact CD1-CD1 4.27Å; F280-L338 HydrophobicContact CG-CD1 4.28Å; F280-L338 CarbonylContact O-C 3.03Å; F280-L338 WeakPolarHBondContact O-CB 3.16Å; F280-G339 PolarHBondContact O-N 2.75Å; F280-G340 VanDerWaalsContact O-CA 3.23Å; F280-G340 WeakPolarHBondContact O-CA 3.42Å; F280-G340 PolarHBondContact O-N 2.76Å; F280-R341 PolarHBondContact N-O 3.48Å; F280-A343 HydrophobicContact CD2-CB 4.1Å; F280-A343 HydrophobicContact CE2-CB 3.92Å; F280-L346 HydrophobicContact CD1-CD1 3.91Å; F280-L346 HydrophobicContact CD2-CD2 4.22Å; F280-L346 HydrophobicContact CE1-CD1 3.92Å; F280-L346 HydrophobicContact CE2-CD2 4.38Å; F280-L346 HydrophobicContact CE2-CG 4.47Å; F280-L346 HydrophobicContact CG-CD1 4.22Å; F280-L346 HydrophobicContact CZ-CD1 4.24Å; F280-L346 HydrophobicContact CZ-CG 4.45Å; F280-F364 HydrophobicContact CD1-CB 4.33Å; F280-F364 HydrophobicContact CD1-CD1 4.25Å; F280-F364 HydrophobicContact CE1-CB 4.17Å; F280-F364 HydrophobicContact CE1-CD1 4.26Å; F280-F364 HydrophobicContact CE1-CG 4.43Å |
| 281 | Q | 93.9 | Very high | 94.6 | Very high | 100 Ų | 100 | 27.2 Ų | 27.2 | 47% | 0.467 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -51.9 | 176 | -54.5 | -172.9 | 14.4 | 0 | 0 | 110.4 | A279 L338 G339 I365 D367 | A279-Q281 PolarHBondContact O-N 3.05Å; Q281-L338 PolarHBondContact O-N 2.86Å; Q281-G339 PolarHBondContact O-N 3.16Å; Q281-I365 HydrophobicContact CB-CG2 4.14Å; Q281-I365 WeakPolarHBondContact CB-O 3.23Å; Q281-I365 HydrophobicContact CG-CG2 4.48Å; Q281-I365 PolarHBondContact N-O 3.37Å; Q281-D367 PolarHBondContact NE2-OD2 3.03Å |
| 282 | A | 93.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 158.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V336 I365 | A282-V336 CarbonylContact C-O 3.6Å; A282-V336 VanDerWaalsContact CA-O 3.24Å; A282-V336 WeakPolarHBondContact CA-O 3.46Å; A282-V336 WeakPolarHBondContact CB-O 3.44Å; A282-I365 PolarHBondContact N-O 2.83Å; A282-I365 PolarHBondContact O-N 3.04Å |
| 283 | M | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.2 | 162.6 | 171.7 | -179.6 | 67.8 | 0 | 0 | 108 | V285 V301 V336 L338 C348 F350 I362 F364 | M283-V285 HydrophobicContact CE-CG2 4.16Å; M283-V285 HydrophobicContact CG-CG2 4.12Å; M283-V285 HydrophobicContact SD-CG2 4.22Å; M283-V301 HydrophobicContact CE-CG1 3.81Å; M283-V336 HydrophobicContact CE-CB 4.25Å; M283-V336 HydrophobicContact CE-CG2 4.19Å; M283-V336 PolarHBondContact N-O 2.7Å; M283-V336 PolarHBondContact O-N 3.18Å; M283-L338 HydrophobicContact CB-CD1 3.83Å; M283-L338 HydrophobicContact CB-CG 4.28Å; M283-C348 HydrophobicContact CE-CB 4.43Å; M283-F350 HydrophobicContact CE-CE1 3.71Å; M283-F350 HydrophobicContact CE-CZ 3.8Å; M283-F350 HydrophobicContact SD-CZ 4.19Å; M283-I362 HydrophobicContact CG-CG2 4.08Å; M283-I362 HydrophobicContact SD-CG2 4.09Å; M283-F364 HydrophobicContact CB-CD1 3.85Å; M283-F364 HydrophobicContact CB-CE1 3.8Å; M283-F364 HydrophobicContact CG-CD1 3.96Å; M283-F364 HydrophobicContact CG-CE1 3.53Å; M283-F364 HydrophobicContact CG-CZ 4.01Å; M283-F364 HydrophobicContact SD-CD1 4.47Å; M283-F364 HydrophobicContact SD-CE1 3.49Å; M283-F364 WeakPolarHBondContact SD-CE1 3.36Å; M283-F364 HydrophobicContact SD-CZ 3.76Å |
| 284 | Q | 94.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.1 | 176.2 | -160.7 | 165.4 | 8.3 | 0 | 0 | 109.9 | M22 K23 A333 V334 I362 S363 | M22-Q284 HydrophobicContact CE-CB 4.32Å; M22-Q284 HydrophobicContact CE-CG 4.38Å; M22-Q284 WeakPolarHBondContact CE-O 3.43Å; M22-Q284 HydrophobicContact CG-CB 4.4Å; M22-Q284 VanDerWaalsContact CG-CD 3.49Å; M22-Q284 HydrophobicContact CG-CG 3.83Å; M22-Q284 HydrophobicContact SD-CG 4.35Å; K23-Q284 VanDerWaalsContact N-OE1 3.17Å; Q284-A333 HydrophobicContact CG-CB 4.07Å; Q284-V334 CarbonylContact C-O 3.57Å; Q284-V334 VanDerWaalsContact CA-O 3.31Å; Q284-V334 WeakPolarHBondContact CA-O 3.4Å; Q284-I362 WeakPolarHBondContact O-CA 3.47Å; Q284-S363 PolarHBondContact N-O 3.3Å; Q284-S363 PolarHBondContact O-N 3.15Å |
| 285 | V | 95.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.3 | -175.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | M283 C287 A333 V334 F350 F359 E361 I362 | M283-V285 HydrophobicContact CE-CG2 4.16Å; M283-V285 HydrophobicContact CG-CG2 4.12Å; M283-V285 HydrophobicContact SD-CG2 4.22Å; V285-C287 VanDerWaalsContact CG1-SG 3.52Å; V285-C287 PolarHBondContact O-N 2.9Å; V285-A333 CarbonylContact O-C 3.56Å; V285-A333 WeakPolarHBondContact O-CA 3.21Å; V285-V334 PolarHBondContact N-O 2.51Å; V285-V334 PolarHBondContact O-N 3.26Å; V285-F350 HydrophobicContact CG2-CE1 3.98Å; V285-F350 HydrophobicContact CG2-CZ 4.43Å; V285-F359 HydrophobicContact CG1-CB 4.14Å; V285-F359 HydrophobicContact CG1-CD1 3.6Å; V285-F359 HydrophobicContact CG1-CD2 4.05Å; V285-F359 HydrophobicContact CG1-CE1 4Å; V285-F359 HydrophobicContact CG1-CE2 4.4Å; V285-F359 HydrophobicContact CG1-CG 3.67Å; V285-F359 HydrophobicContact CG1-CZ 4.38Å; V285-E361 WeakPolarHBondContact CA-O 3.28Å; V285-I362 HydrophobicContact CG1-CG1 4.12Å; V285-I362 HydrophobicContact CG2-CG1 4.23Å; V285-I362 HydrophobicContact CG2-CG2 4.21Å |
| 286 | H | 95.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 111.3 | 171.2 | -169.5 | -100.5 | 0 | 0 | 0 | 110.6 | M22 G237 A331 F359 S360 E361 | M22-H286 HydrophobicContact SD-CB 4.19Å; G237-H286 PolarHBondContact O-CE1 3.18Å; G237-H286 VanDerWaalsContact O-CE1 3.27Å; H286-A331 VanDerWaalsContact CE1-CB 3.42Å; H286-A331 WeakPolarHBondContact CE1-CB 3.34Å; H286-F359 CarbonylContact O-C 3.52Å; H286-F359 VanDerWaalsContact O-CA 3.27Å; H286-F359 WeakPolarHBondContact O-CA 3.38Å; H286-S360 PolarHBondContact ND1-OG 2.9Å; H286-S360 PolarHBondContact O-N 3.02Å; H286-E361 HydrophobicContact CB-CB 4.26Å; H286-E361 PolarHBondContact N-O 2.83Å |
| 287 | C | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.8 | -174.4 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | V285 L297 A331 R332 V334 L358 F359 | V285-C287 VanDerWaalsContact CG1-SG 3.52Å; V285-C287 PolarHBondContact O-N 2.9Å; C287-L297 HydrophobicContact CB-CD2 3.44Å; C287-L297 VanDerWaalsContact CB-CD2 3.44Å; C287-A331 CarbonylContact O-C 3.21Å; C287-A331 VanDerWaalsContact O-CA 3.3Å; C287-A331 WeakPolarHBondContact O-CA 3.07Å; C287-A331 WeakPolarHBondContact O-CB 3.09Å; C287-R332 PolarHBondContact N-O 3.3Å; C287-R332 PolarHBondContact O-N 3.38Å; C287-V334 HydrophobicContact CB-CG2 4.15Å; C287-L358 WeakPolarHBondContact CA-O 3.27Å; C287-F359 HydrophobicContact CB-CD1 4.3Å; C287-F359 VanDerWaalsContact SG-CD1 3.53Å; C287-F359 VanDerWaalsContact SG-CE1 3.51Å |
| 288 | N | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -76.1 | 147.4 | 167 | -161.2 | -91.6 | 0 | 0 | 0 | 111.5 | L238 D239 F241 Y255 M290 A295 R296 L358 | L238-N288 PolarHBondContact O-ND2 3.01Å; D239-N288 PolarHBondContact O-ND2 2.99Å; F241-N288 WeakPolarHBondContact CD1-OD1 3.32Å; Y255-N288 HydrophobicContact CD1-CB 4.3Å; Y255-N288 HydrophobicContact CE1-CB 3.61Å; Y255-N288 PolarHBondContact OH-ND2 2.84Å; N288-M290 WeakPolarHBondContact OD1-CB 3.32Å; N288-M290 PolarHBondContact OD1-N 2.83Å; N288-A295 HydrophobicContact CB-CB 4.36Å; N288-R296 CarbonylContact O-C 3.53Å; N288-L358 HydrophobicContact CB-CB 3.94Å; N288-L358 HydrophobicContact CB-CD1 4.09Å; N288-L358 HydrophobicContact CB-CG 4.44Å; N288-L358 PolarHBondContact N-O 3.01Å | ||
| 289 | N | 94.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | trans | -128.1 | 22.9 | 173.7 | -162.1 | 49.2 | 0 | 0 | 0 | 113.5 | H291 A295 R296 L297 L326 D328 P329 R330 | N289-H291 PolarHBondContact O-CD2 2.9Å; N289-H291 VanDerWaalsContact O-CD2 3.24Å; N289-H291 PolarHBondContact O-N 2.7Å; N289-A295 CarbonylContact C-O 3.19Å; N289-R296 WeakPolarHBondContact OD1-CA 3.34Å; N289-L297 HydrophobicContact CB-CD2 4Å; N289-L297 HydrophobicContact CB-CG 3.96Å; N289-L297 PolarHBondContact OD1-N 3.12Å; N289-L297 VanDerWaalsContact OD1-N 3.12Å; N289-L326 PolarHBondContact ND2-O 3.16Å; N289-D328 PolarHBondContact ND2-O 2.91Å; N289-P329 CarbonylContact C-O 3.49Å; N289-P329 WeakPolarHBondContact O-CA 3.48Å; N289-R330 WeakPolarHBondContact CB-O 3.44Å | ||
| 290 | M | 94.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 23.6 Ų | 23.6 | 14% | 0.138 | 13% | 0.131 | C | C | . | . | trans | -71.4 | 73 | 178.8 | -173.3 | 168 | -76.3 | 0 | 0 | 111.2 | D239 D240 F241 N288 T292 L293 G294 A295 P329 | D239-M290 WeakPolarHBondContact O-CE 3.39Å; D240-M290 HydrophobicContact CB-CE 3.93Å; F241-M290 HydrophobicContact CD1-CB 4.1Å; F241-M290 HydrophobicContact CD1-SD 4.43Å; F241-M290 HydrophobicContact CE1-CB 4.02Å; F241-M290 HydrophobicContact CE1-CG 4.31Å; F241-M290 HydrophobicContact CE1-SD 4.3Å; N288-M290 WeakPolarHBondContact OD1-CB 3.32Å; N288-M290 PolarHBondContact OD1-N 2.83Å; M290-T292 VanDerWaalsContact CG-OG1 3.26Å; M290-T292 WeakPolarHBondContact CG-OG1 3.43Å; M290-T292 PolarHBondContact O-N 3.46Å; M290-L293 HydrophobicContact CG-CB 4.49Å; M290-L293 HydrophobicContact CG-CD1 4.46Å; M290-L293 HydrophobicContact CG-CG 4.36Å; M290-L293 PolarHBondContact O-N 3.42Å; M290-L293 HydrophobicContact SD-CD1 3.82Å; M290-L293 HydrophobicContact SD-CG 4.3Å; M290-G294 PolarHBondContact O-N 3.2Å; M290-A295 CarbonylContact C-O 3.34Å; M290-A295 VanDerWaalsContact C-O 3.24Å; M290-A295 PolarHBondContact N-O 2.94Å; M290-A295 PolarHBondContact O-N 3.24Å; M290-P329 PolarHBondContact N-O 3.22Å | ||
| 291 | H | 91.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 23.7 Ų | 23.7 | 24% | 0.236 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -69.3 | -16.8 | -172.6 | 60.1 | 82.8 | 0 | 0 | 0 | 113.6 | N289 L293 G294 A295 R296 G327 | N289-H291 PolarHBondContact O-CD2 2.9Å; N289-H291 VanDerWaalsContact O-CD2 3.24Å; N289-H291 PolarHBondContact O-N 2.7Å; H291-L293 PolarHBondContact O-N 2.85Å; H291-G294 PolarHBondContact O-N 2.69Å; H291-G294 VanDerWaalsContact O-N 3.1Å; H291-A295 WeakPolarHBondContact CA-O 3.29Å; H291-A295 PolarHBondContact N-O 2.71Å; H291-A295 VanDerWaalsContact N-O 3.07Å; H291-R296 HydrophobicContact CB-CG 3.8Å; H291-R296 PolarHBondContact ND1-NH2 2.79Å; H291-G327 PolarHBondContact NE2-O 2.7Å |
| 292 | T | 91.4 | Very high | 94 | Very high | 103 Ų | 103 | 20.6 Ų | 20.6 | 63% | 0.632 | 12% | 0.117 | S | C | * | . | G | 310 helix | trans | -60.1 | -25 | 167 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | M290 | M290-T292 VanDerWaalsContact CG-OG1 3.26Å; M290-T292 WeakPolarHBondContact CG-OG1 3.43Å; M290-T292 PolarHBondContact O-N 3.46Å |
| 293 | L | 92.7 | Very high | 94.1 | Very high | 47 Ų | 47 | 20 Ų | 20 | 25% | 0.246 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -114.9 | 17.8 | 173.4 | -58.4 | 179.9 | 0 | 0 | 0 | 112.2 | L204 F241 M290 H291 A295 | L204-L293 HydrophobicContact CD1-CB 4.44Å; L204-L293 HydrophobicContact CD1-CD1 4.1Å; L204-L293 HydrophobicContact CD1-CD2 4.28Å; F241-L293 HydrophobicContact CE1-CB 3.87Å; F241-L293 HydrophobicContact CE1-CD1 4.01Å; F241-L293 HydrophobicContact CZ-CB 3.74Å; F241-L293 HydrophobicContact CZ-CD1 3.9Å; F241-L293 HydrophobicContact CZ-CG 4.49Å; M290-L293 HydrophobicContact CG-CB 4.49Å; M290-L293 HydrophobicContact CG-CD1 4.46Å; M290-L293 HydrophobicContact CG-CG 4.36Å; M290-L293 PolarHBondContact O-N 3.42Å; M290-L293 HydrophobicContact SD-CD1 3.82Å; M290-L293 HydrophobicContact SD-CG 4.3Å; H291-L293 PolarHBondContact O-N 2.85Å; L293-A295 PolarHBondContact O-N 2.75Å |
| 294 | G | 91.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 12% | 0.124 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -4.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | M290 H291 P355 W356 | M290-G294 PolarHBondContact O-N 3.2Å; H291-G294 PolarHBondContact O-N 2.69Å; H291-G294 VanDerWaalsContact O-N 3.1Å; G294-P355 WeakPolarHBondContact O-CD 3.46Å; G294-W356 PolarHBondContact O-N 3.09Å |
| 295 | A | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -77.3 | 131.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F241 N288 N289 M290 H291 L293 L358 | F241-A295 HydrophobicContact CD1-CB 4.47Å; F241-A295 HydrophobicContact CE1-CB 4.12Å; N288-A295 HydrophobicContact CB-CB 4.36Å; N289-A295 CarbonylContact C-O 3.19Å; M290-A295 CarbonylContact C-O 3.34Å; M290-A295 VanDerWaalsContact C-O 3.24Å; M290-A295 PolarHBondContact N-O 2.94Å; M290-A295 PolarHBondContact O-N 3.24Å; H291-A295 WeakPolarHBondContact CA-O 3.29Å; H291-A295 PolarHBondContact N-O 2.71Å; H291-A295 VanDerWaalsContact N-O 3.07Å; L293-A295 PolarHBondContact O-N 2.75Å; A295-L358 HydrophobicContact CB-CD1 3.65Å; A295-L358 HydrophobicContact CB-CG 3.91Å |
| 296 | R | 93.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 24.8 Ų | 24.8 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | trans | -138 | 155.1 | 174.6 | -76.7 | -172 | 176.5 | -75.5 | -4.1 | 111.6 | N288 N289 H291 N325 A353 W356 | N288-R296 CarbonylContact O-C 3.53Å; N289-R296 WeakPolarHBondContact OD1-CA 3.34Å; H291-R296 HydrophobicContact CB-CG 3.8Å; H291-R296 PolarHBondContact ND1-NH2 2.79Å; R296-N325 PolarHBondContact NH1-OD1 3.08Å; R296-A353 VanDerWaalsContact CD-O 3.28Å; R296-A353 WeakPolarHBondContact CD-O 3.44Å; R296-W356 PolarHBondContact N-O 3.04Å; R296-W356 VanDerWaalsContact N-O 3.16Å | ||
| 297 | L | 93.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 15% | 0.147 | 15% | 0.145 | C | C | . | . | trans | -54.4 | 148.1 | 163.8 | -55.6 | -178.2 | 0 | 0 | 0 | 110.4 | C287 N289 V334 A353 | C287-L297 HydrophobicContact CB-CD2 3.44Å; C287-L297 VanDerWaalsContact CB-CD2 3.44Å; N289-L297 HydrophobicContact CB-CD2 4Å; N289-L297 HydrophobicContact CB-CG 3.96Å; N289-L297 PolarHBondContact OD1-N 3.12Å; N289-L297 VanDerWaalsContact OD1-N 3.12Å; L297-V334 HydrophobicContact CD2-CG2 4.02Å; L297-A353 WeakPolarHBondContact O-CB 3.43Å | ||
| 298 | P | 94.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | trans | -61.3 | 143.1 | 173.9 | 22.8 | -30.3 | 0 | 0 | 0 | 111.7 | G300 V301 L322 F350 L351 L357 F359 | P298-G300 PolarHBondContact O-N 2.9Å; P298-V301 HydrophobicContact CG-CG2 4.44Å; P298-L322 HydrophobicContact CB-CD1 4.42Å; P298-L322 HydrophobicContact CG-CD1 3.87Å; P298-L322 WeakPolarHBondContact O-CB 3.4Å; P298-L322 WeakPolarHBondContact O-CD1 3.03Å; P298-F350 HydrophobicContact CB-CB 4.43Å; P298-L351 CarbonylContact C-O 3.53Å; P298-L351 VanDerWaalsContact CA-O 3.29Å; P298-L351 WeakPolarHBondContact CA-O 3.47Å; P298-L357 HydrophobicContact CB-CD2 3.78Å; P298-L357 HydrophobicContact CG-CD2 4.35Å; P298-F359 HydrophobicContact CG-CE1 4.42Å | ||
| 299 | G | 91.4 | Very high | 91.7 | Very high | 29 Ų | 29 | 34 Ų | 34 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -72.7 | -16.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L322 L351 | G299-L322 PolarHBondContact O-N 2.94Å; G299-L351 PolarHBondContact N-O 3.06Å |
| 300 | G | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | 166.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P298 H320 L351 | P298-G300 PolarHBondContact O-N 2.9Å; G300-H320 CarbonylContact C-O 3.58Å; G300-H320 WeakPolarHBondContact CA-O 3.45Å; G300-L351 WeakPolarHBondContact O-CB 3.32Å; G300-L351 PolarHBondContact O-N 3.26Å |
| 301 | V | 95.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.9 | -179.6 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | M283 P298 R319 H320 L322 V336 C348 R349 F350 | M283-V301 HydrophobicContact CE-CG1 3.81Å; P298-V301 HydrophobicContact CG-CG2 4.44Å; V301-R319 CarbonylContact O-C 3.38Å; V301-R319 WeakPolarHBondContact O-CA 3.24Å; V301-H320 PolarHBondContact N-O 2.9Å; V301-H320 PolarHBondContact O-N 2.86Å; V301-L322 HydrophobicContact CG2-CD1 4.22Å; V301-V336 HydrophobicContact CB-CG1 4.3Å; V301-V336 HydrophobicContact CB-CG2 4.06Å; V301-V336 HydrophobicContact CG1-CG1 4.4Å; V301-V336 HydrophobicContact CG1-CG2 4.4Å; V301-V336 HydrophobicContact CG2-CG2 3.87Å; V301-C348 HydrophobicContact CG1-CB 4.46Å; V301-R349 VanDerWaalsContact CA-O 3.28Å; V301-R349 WeakPolarHBondContact CA-O 3.44Å; V301-F350 HydrophobicContact CB-CD1 4.45Å; V301-F350 HydrophobicContact CG1-CD1 3.94Å; V301-F350 HydrophobicContact CG1-CE1 3.76Å; V301-F350 HydrophobicContact CG1-CZ 4.42Å; V301-F350 HydrophobicContact CG2-CD1 3.7Å; V301-F350 HydrophobicContact CG2-CE1 4.03Å |
| 302 | E | 95.1 | Very high | 89.3 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.8 | 171.8 | 179.9 | -166.2 | 134 | 0 | 0 | 108.9 | R304 P317 M318 C348 R349 | E302-R304 IonicContact OE1-CZ 3.23Å; E302-R304 VanDerWaalsContact OE1-CZ 3.23Å; E302-R304 IonicContact OE1-NE 2.86Å; E302-R304 PolarHBondContact OE1-NE 3.14Å; E302-R304 IonicContact OE1-NH2 2.74Å; E302-R304 PolarHBondContact OE1-NH2 3.38Å; E302-P317 HydrophobicContact CG-CB 3.52Å; E302-P317 HydrophobicContact CG-CG 3.8Å; E302-M318 CarbonylContact C-O 3.59Å; E302-M318 WeakPolarHBondContact CA-O 3.47Å; E302-C348 CarbonylContact O-C 3.56Å; E302-C348 VanDerWaalsContact O-CA 3.27Å; E302-C348 WeakPolarHBondContact O-CA 3.3Å; E302-R349 HydrophobicContact CB-CB 4.32Å; E302-R349 PolarHBondContact N-O 2.72Å; E302-R349 PolarHBondContact O-N 2.79Å; E302-R349 IonicContact OE1-NH1 3.78Å; E302-R349 PolarHBondContact OE1-NH1 3.25Å |
| 303 | C | 95.6 | Very high | 89 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.9 | 177.2 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | F305 P317 M318 L338 Q347 C348 | C303-F305 HydrophobicContact CB-CE2 4.23Å; C303-F305 HydrophobicContact CB-CZ 4.41Å; C303-F305 WeakPolarHBondContact O-CE2 3.31Å; C303-P317 CarbonylContact O-C 3.56Å; C303-P317 WeakPolarHBondContact O-CA 3.35Å; C303-P317 WeakPolarHBondContact O-CB 3.17Å; C303-M318 PolarHBondContact N-O 2.92Å; C303-M318 PolarHBondContact O-N 3.31Å; C303-L338 HydrophobicContact CB-CD2 3.96Å; C303-Q347 CarbonylContact C-O 3.43Å; C303-Q347 WeakPolarHBondContact CA-O 3.39Å; C303-C348 HydrophobicContact CB-CB 4.23Å; C303-C348 WeakPolarHBondContact CB-SG 3.4Å; C303-C348 WeakPolarHBondContact SG-CB 3.43Å; C303-C348 CovalentContact SG-SG 2.05Å; C303-C348 PolarHBondContact SG-SG 3.28Å |
| 304 | R | 94.6 | Very high | 88.2 | Confident | 73 Ų | 73 | 45.2 Ų | 45.2 | 28% | 0.275 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 149.2 | 176.1 | -68 | 166.7 | -176.3 | -98.9 | -9 | 109.5 | E302 W313 P317 L346 Q347 | E302-R304 IonicContact OE1-CZ 3.23Å; E302-R304 VanDerWaalsContact OE1-CZ 3.23Å; E302-R304 IonicContact OE1-NE 2.86Å; E302-R304 PolarHBondContact OE1-NE 3.14Å; E302-R304 IonicContact OE1-NH2 2.74Å; E302-R304 PolarHBondContact OE1-NH2 3.38Å; R304-W313 HydrophobicContact CB-CD2 4.14Å; R304-W313 HydrophobicContact CB-CE3 3.74Å; R304-W313 HydrophobicContact CB-CZ3 4.31Å; R304-P317 HydrophobicContact CG-CB 3.83Å; R304-L346 VanDerWaalsContact O-CA 3.32Å; R304-L346 WeakPolarHBondContact O-CA 3.35Å; R304-Q347 HydrophobicContact CB-CB 4.34Å; R304-Q347 PolarHBondContact N-O 2.61Å; R304-Q347 PolarHBondContact O-N 3.31Å |
| 305 | F | 94.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.1 | -167.9 | -63.1 | -100.6 | 0 | 0 | 0 | 109.9 | F280 C303 W313 E314 M318 L338 R341 A343 L346 | F280-F305 HydrophobicContact CB-CE1 4.4Å; C303-F305 HydrophobicContact CB-CE2 4.23Å; C303-F305 HydrophobicContact CB-CZ 4.41Å; C303-F305 WeakPolarHBondContact O-CE2 3.31Å; F305-W313 CarbonylContact O-C 3.45Å; F305-W313 WeakPolarHBondContact O-CA 3.37Å; F305-E314 HydrophobicContact CB-CB 4.44Å; F305-E314 WeakPolarHBondContact O-CB 3.36Å; F305-E314 PolarHBondContact O-N 3.46Å; F305-M318 HydrophobicContact CE2-CB 3.89Å; F305-M318 HydrophobicContact CE2-CG 3.48Å; F305-M318 VanDerWaalsContact CE2-CG 3.48Å; F305-M318 HydrophobicContact CZ-CB 4.28Å; F305-M318 HydrophobicContact CZ-CG 3.78Å; F305-L338 HydrophobicContact CE1-CB 4.11Å; F305-L338 HydrophobicContact CZ-CB 3.97Å; F305-L338 HydrophobicContact CZ-CD2 3.89Å; F305-L338 HydrophobicContact CZ-CG 4.37Å; F305-R341 HydrophobicContact CD1-CB 3.61Å; F305-R341 HydrophobicContact CD1-CG 4.49Å; F305-R341 HydrophobicContact CE1-CB 3.68Å; F305-R341 HydrophobicContact CE1-CG 4.39Å; F305-R341 HydrophobicContact CG-CB 4.12Å; F305-R341 HydrophobicContact CZ-CB 4.24Å; F305-R341 HydrophobicContact CZ-CG 4.48Å; F305-A343 HydrophobicContact CB-CB 4.08Å; F305-A343 HydrophobicContact CD1-CB 4.04Å; F305-L346 HydrophobicContact CD1-CD2 3.28Å; F305-L346 HydrophobicContact CE1-CD2 3.52Å; F305-L346 HydrophobicContact CG-CD2 3.98Å; F305-L346 HydrophobicContact CZ-CD2 4.36Å |
| 306 | R | 92.4 | Very high | 86.6 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 131.9 | 178 | 166.8 | 171.3 | 59.3 | 153.5 | -5.6 | 110.6 | E271 G308 P309 M311 W313 R344 F345 | E271-R306 IonicContact OE2-NH2 3.05Å; E271-R306 PolarHBondContact OE2-NH2 3.32Å; R306-G308 WeakPolarHBondContact CD-O 3.47Å; R306-G308 WeakPolarHBondContact CG-O 3.12Å; R306-P309 PolarHBondContact NH1-O 3.13Å; R306-P309 VanDerWaalsContact NH1-O 3.14Å; R306-M311 WeakPolarHBondContact CD-O 3.5Å; R306-W313 HydrophobicContact CB-CD2 4.05Å; R306-W313 HydrophobicContact CB-CE3 3.41Å; R306-W313 VanDerWaalsContact CB-CE3 3.41Å; R306-W313 HydrophobicContact CB-CH2 4.23Å; R306-W313 HydrophobicContact CB-CZ3 3.51Å; R306-W313 VanDerWaalsContact NH2-CZ2 3.33Å; R306-R344 PolarHBondContact O-N 2.92Å; R306-F345 HydrophobicContact CB-CB 4.11Å; R306-F345 HydrophobicContact CG-CB 4.39Å; R306-F345 HydrophobicContact CG-CD2 4.42Å; R306-F345 PolarHBondContact N-O 3.27Å; R306-F345 PolarHBondContact O-N 2.96Å |
| 307 | R | 89.6 | Confident | 86.1 | Confident | 100 Ų | 100 | 54 Ų | 54 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -87.3 | -21.6 | -172.7 | -71.4 | 177.7 | 69.1 | 179.9 | 3.7 | 114.6 | L277 M311 E314 V342 | L277-R307 HydrophobicContact CD2-CB 3.92Å; L277-R307 HydrophobicContact CD2-CG 4Å; R307-M311 HydrophobicContact CB-SD 3.9Å; R307-E314 WeakPolarHBondContact CD-OE2 3.16Å; R307-E314 VanDerWaalsContact CG-OE2 3.29Å; R307-E314 WeakPolarHBondContact CG-OE2 3.23Å; R307-V342 WeakPolarHBondContact CD-O 3.38Å; R307-V342 WeakPolarHBondContact CG-O 3.47Å |
| 308 | G | 79.1 | Confident | 85.8 | Confident | 12 Ų | 12 | 55 Ų | 55 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -160.5 | 158.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | R306 A310 M311 | R306-G308 WeakPolarHBondContact CD-O 3.47Å; R306-G308 WeakPolarHBondContact CG-O 3.12Å; G308-A310 VanDerWaalsContact C-N 3.29Å; G308-A310 PolarHBondContact O-N 2.93Å; G308-M311 WeakPolarHBondContact O-CB 3.5Å; G308-M311 PolarHBondContact O-N 3.23Å |
| 309 | P | 71.4 | Confident | 85.6 | Confident | 95 Ų | 95 | 62.1 Ų | 62.1 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.1 | -167 | 23.8 | -34.2 | 0 | 0 | 0 | 113.6 | R306 F345 | R306-P309 PolarHBondContact NH1-O 3.13Å; R306-P309 VanDerWaalsContact NH1-O 3.14Å; P309-F345 HydrophobicContact CB-CE2 4.49Å; P309-F345 HydrophobicContact CB-CZ 4.32Å |
| 310 | A | 69.8 | Low | 85.5 | Confident | 107 Ų | 107 | 63.8 Ų | 63.8 | 88% | 0.884 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G308 | G308-A310 VanDerWaalsContact C-N 3.29Å; G308-A310 PolarHBondContact O-N 2.93Å |
| 311 | M | 78.9 | Confident | 85.3 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -95.9 | 150.5 | 175.3 | -58.4 | -172.7 | 75.9 | 0 | 0 | 110.7 | R306 R307 G308 | R306-M311 WeakPolarHBondContact CD-O 3.5Å; R307-M311 HydrophobicContact CB-SD 3.9Å; G308-M311 WeakPolarHBondContact O-CB 3.5Å; G308-M311 PolarHBondContact O-N 3.23Å |
| 312 | A | 81.6 | Confident | 84.5 | Confident | 87 Ų | 87 | 70.3 Ų | 70.3 | 72% | 0.719 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 159.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 313 | W | 84.9 | Confident | 82.9 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 138 | 168.8 | -64.4 | 105.4 | 0 | 0 | 0 | 110.4 | R304 F305 R306 G315 F345 Q347 | R304-W313 HydrophobicContact CB-CD2 4.14Å; R304-W313 HydrophobicContact CB-CE3 3.74Å; R304-W313 HydrophobicContact CB-CZ3 4.31Å; F305-W313 CarbonylContact O-C 3.45Å; F305-W313 WeakPolarHBondContact O-CA 3.37Å; R306-W313 HydrophobicContact CB-CD2 4.05Å; R306-W313 HydrophobicContact CB-CE3 3.41Å; R306-W313 VanDerWaalsContact CB-CE3 3.41Å; R306-W313 HydrophobicContact CB-CH2 4.23Å; R306-W313 HydrophobicContact CB-CZ3 3.51Å; R306-W313 VanDerWaalsContact NH2-CZ2 3.33Å; W313-G315 PolarHBondContact O-N 2.81Å; W313-F345 HydrophobicContact CH2-CB 4.43Å; W313-F345 HydrophobicContact CZ3-CB 4.49Å; W313-Q347 HydrophobicContact CH2-CB 3.39Å; W313-Q347 HydrophobicContact CZ2-CB 3.75Å; W313-Q347 HydrophobicContact CZ3-CB 3.82Å |
| 314 | E | 76.9 | Confident | 81.1 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | trans | -90.9 | 96.7 | -164 | -170.5 | 164.9 | 179.2 | 0 | 0 | 112.5 | F305 R307 R341 | F305-E314 HydrophobicContact CB-CB 4.44Å; F305-E314 WeakPolarHBondContact O-CB 3.36Å; F305-E314 PolarHBondContact O-N 3.46Å; R307-E314 WeakPolarHBondContact CD-OE2 3.16Å; R307-E314 VanDerWaalsContact CG-OE2 3.29Å; R307-E314 WeakPolarHBondContact CG-OE2 3.23Å; E314-R341 PolarHBondContact O-NH1 3.11Å | ||
| 315 | G | 71.5 | Confident | 79.6 | Confident | 62 Ų | 62 | 77.2 Ų | 77.2 | 64% | 0.639 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 71.6 | -165 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | W313 | W313-G315 PolarHBondContact O-N 2.81Š|
| 316 | E | 79.4 | Confident | 78.3 | Confident | 159 Ų | 159 | 79.6 Ų | 79.6 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -65.7 | 139.6 | 173.8 | -70.6 | -58.4 | 142.1 | 0 | 0 | 111 | R341 | E316-R341 VanDerWaalsContact O-CZ 3.31Å; E316-R341 PolarHBondContact O-NH1 3.23Å; E316-R341 PolarHBondContact O-NH2 3.02Å |
| 317 | P | 84.6 | Confident | 77.3 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 18% | 0.175 | 49% | 0.491 | C | S | . | . | trans | -67.5 | 151.9 | -176 | 29.6 | -36.1 | 0 | 0 | 0 | 112.6 | E302 C303 R304 R319 | E302-P317 HydrophobicContact CG-CB 3.52Å; E302-P317 HydrophobicContact CG-CG 3.8Å; C303-P317 CarbonylContact O-C 3.56Å; C303-P317 WeakPolarHBondContact O-CA 3.35Å; C303-P317 WeakPolarHBondContact O-CB 3.17Å; R304-P317 HydrophobicContact CG-CB 3.83Å; P317-R319 PolarHBondContact O-N 3.02Å | ||
| 318 | M | 86.9 | Confident | 77 | Confident | 49 Ų | 49 | 79.6 Ų | 79.6 | 24% | 0.241 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 104.5 | 167.3 | -71.4 | -66.4 | -72.4 | 0 | 0 | 108.7 | E302 C303 F305 P337 R341 | E302-M318 CarbonylContact C-O 3.59Å; E302-M318 WeakPolarHBondContact CA-O 3.47Å; C303-M318 PolarHBondContact N-O 2.92Å; C303-M318 PolarHBondContact O-N 3.31Å; F305-M318 HydrophobicContact CE2-CB 3.89Å; F305-M318 HydrophobicContact CE2-CG 3.48Å; F305-M318 VanDerWaalsContact CE2-CG 3.48Å; F305-M318 HydrophobicContact CZ-CB 4.28Å; F305-M318 HydrophobicContact CZ-CG 3.78Å; M318-P337 VanDerWaalsContact CE-O 3.25Å; M318-P337 WeakPolarHBondContact CE-O 3.24Å; M318-R341 PolarHBondContact SD-NH2 3.21Å |
| 319 | R | 89.5 | Confident | 77.5 | Confident | 152 Ų | 152 | 81.4 Ų | 81.4 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.6 | 171 | -177.2 | 172.9 | 173 | 156.1 | 1.4 | 111 | V301 P317 N321 | V301-R319 CarbonylContact O-C 3.38Å; V301-R319 WeakPolarHBondContact O-CA 3.24Å; P317-R319 PolarHBondContact O-N 3.02Å; R319-N321 PolarHBondContact NE-OD1 3.21Å; R319-N321 PolarHBondContact NH2-OD1 2.77Å; R319-N321 VanDerWaalsContact NH2-OD1 3.07Å |
| 320 | H | 90.3 | Very high | 78.3 | Confident | 64 Ų | 64 | 83.8 Ų | 83.8 | 30% | 0.296 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 110.8 | 172.9 | -172.9 | 77 | 0 | 0 | 0 | 109.1 | G300 V301 V336 | G300-H320 CarbonylContact C-O 3.58Å; G300-H320 WeakPolarHBondContact CA-O 3.45Å; V301-H320 PolarHBondContact N-O 2.9Å; V301-H320 PolarHBondContact O-N 2.86Å; H320-V336 HydrophobicContact CB-CG1 4.05Å |
| 321 | N | 88.1 | Confident | 79.4 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.8 | 173.1 | -59.8 | -46.5 | 0 | 0 | 0 | 109 | R319 | R319-N321 PolarHBondContact NE-OD1 3.21Å; R319-N321 PolarHBondContact NH2-OD1 2.77Å; R319-N321 VanDerWaalsContact NH2-OD1 3.07Å |
| 322 | L | 80.6 | Confident | 79.9 | Confident | 40 Ų | 40 | 78 Ų | 78 | 21% | 0.209 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 142.4 | -177.9 | -69.7 | 159.5 | 0 | 0 | 0 | 109.8 | P298 G299 V301 G324 V334 | P298-L322 HydrophobicContact CB-CD1 4.42Å; P298-L322 HydrophobicContact CG-CD1 3.87Å; P298-L322 WeakPolarHBondContact O-CB 3.4Å; P298-L322 WeakPolarHBondContact O-CD1 3.03Å; G299-L322 PolarHBondContact O-N 2.94Å; V301-L322 HydrophobicContact CG2-CD1 4.22Å; L322-G324 PolarHBondContact O-N 2.86Å; L322-V334 HydrophobicContact CD1-CG1 3.54Å; L322-V334 HydrophobicContact CD2-CG1 3.71Å; L322-V334 HydrophobicContact CG-CG1 4.29Å |
| 323 | G | 60.4 | Low | 80.3 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 69% | 0.691 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 135.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 324 | G | 59.1 | Low | 80.5 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 74% | 0.742 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -61.3 | 142.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115 | L322 L326 | L322-G324 PolarHBondContact O-N 2.86Å; G324-L326 PolarHBondContact O-N 2.85Å |
| 325 | N | 61.8 | Low | 81.2 | Confident | 115 Ų | 115 | 71 Ų | 71 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | trans | 23.6 | 76.2 | 166.5 | -72.8 | -21.4 | 0 | 0 | 0 | 116.5 | R296 G327 | R296-N325 PolarHBondContact NH1-OD1 3.08Å; N325-G327 PolarHBondContact O-N 2.73Å | ||
| 326 | L | 66.3 | Low | 82.2 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | trans | -57.4 | 133.5 | 162.5 | -91.3 | 66.2 | 0 | 0 | 0 | 110.1 | N289 G324 | N289-L326 PolarHBondContact ND2-O 3.16Å; G324-L326 PolarHBondContact O-N 2.85Å | ||
| 327 | G | 71.7 | Confident | 82.8 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 63% | 0.629 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -80.4 | -23.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | H291 N325 P329 | H291-G327 PolarHBondContact NE2-O 2.7Å; N325-G327 PolarHBondContact O-N 2.73Å; G327-P329 WeakPolarHBondContact O-CD 3.39Å |
| 328 | D | 84.1 | Confident | 83.2 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | trans | -68.9 | 121 | 175.4 | -174.7 | -6.1 | 0 | 0 | 0 | 110.3 | N289 R330 | N289-D328 PolarHBondContact ND2-O 2.91Å; D328-R330 PolarHBondContact O-N 2.86Å; D328-R330 WeakPolarHBondContact OD1-CB 3.29Å; D328-R330 VanDerWaalsContact OD1-CG 3.24Å; D328-R330 WeakPolarHBondContact OD1-CG 3.41Å; D328-R330 PolarHBondContact OD1-N 2.94Å; D328-R330 VanDerWaalsContact OD1-N 3.08Å | ||
| 329 | P | 88.7 | Confident | 83.3 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 33% | 0.325 | 38% | 0.383 | S | S | . | . | trans | -75.5 | -4.9 | -178.5 | 32.1 | -37.1 | 0 | 0 | 0 | 114.8 | N289 M290 G327 | N289-P329 CarbonylContact C-O 3.49Å; N289-P329 WeakPolarHBondContact O-CA 3.48Å; M290-P329 PolarHBondContact N-O 3.22Å; G327-P329 WeakPolarHBondContact O-CD 3.39Å | ||
| 330 | R | 89.9 | Confident | 83.4 | Confident | 146 Ų | 146 | 57.2 Ų | 57.2 | 55% | 0.551 | 37% | 0.374 | S | S | * | . | trans | -58.8 | 144.8 | -178.6 | -73.1 | 174.8 | 175.9 | -159.2 | -2.9 | 113.5 | D239 N289 D328 | D239-R330 WeakPolarHBondContact OD1-CA 3.2Å; D239-R330 WeakPolarHBondContact OD1-CB 3.44Å; N289-R330 WeakPolarHBondContact CB-O 3.44Å; D328-R330 PolarHBondContact O-N 2.86Å; D328-R330 WeakPolarHBondContact OD1-CB 3.29Å; D328-R330 VanDerWaalsContact OD1-CG 3.24Å; D328-R330 WeakPolarHBondContact OD1-CG 3.41Å; D328-R330 PolarHBondContact OD1-N 2.94Å; D328-R330 VanDerWaalsContact OD1-N 3.08Å | ||
| 331 | A | 91.3 | Very high | 83.3 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 13% | 0.132 | 37% | 0.373 | C | S | . | . | trans | -68.8 | 147.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D239 Y255 H286 C287 | D239-A331 PolarHBondContact OD1-N 2.98Å; Y255-A331 WeakPolarHBondContact OH-CB 3.23Å; H286-A331 VanDerWaalsContact CE1-CB 3.42Å; H286-A331 WeakPolarHBondContact CE1-CB 3.34Å; C287-A331 CarbonylContact O-C 3.21Å; C287-A331 VanDerWaalsContact O-CA 3.3Å; C287-A331 WeakPolarHBondContact O-CA 3.07Å; C287-A331 WeakPolarHBondContact O-CB 3.09Å | ||
| 332 | R | 89.4 | Confident | 83.5 | Confident | 80 Ų | 80 | 55 Ų | 55 | 30% | 0.302 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 144.5 | -176.9 | -60.7 | -168.8 | 79 | -165.6 | 4.2 | 112.3 | V15 C287 V334 | V15-R332 PolarHBondContact O-NH2 2.77Å; C287-R332 PolarHBondContact N-O 3.3Å; C287-R332 PolarHBondContact O-N 3.38Å; R332-V334 PolarHBondContact O-N 2.66Å |
| 333 | A | 89.9 | Confident | 84.1 | Confident | 32 Ų | 32 | 53 Ų | 53 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 100.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M22 Q284 V285 | M22-A333 HydrophobicContact CB-CB 4.33Å; M22-A333 HydrophobicContact CG-CB 4.02Å; M22-A333 HydrophobicContact SD-CB 3.81Å; Q284-A333 HydrophobicContact CG-CB 4.07Å; V285-A333 CarbonylContact O-C 3.56Å; V285-A333 WeakPolarHBondContact O-CA 3.21Å |
| 334 | V | 90.6 | Very high | 85.7 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 118.1 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | Q284 V285 C287 L297 L322 R332 V336 | Q284-V334 CarbonylContact C-O 3.57Å; Q284-V334 VanDerWaalsContact CA-O 3.31Å; Q284-V334 WeakPolarHBondContact CA-O 3.4Å; V285-V334 PolarHBondContact N-O 2.51Å; V285-V334 PolarHBondContact O-N 3.26Å; C287-V334 HydrophobicContact CB-CG2 4.15Å; L297-V334 HydrophobicContact CD2-CG2 4.02Å; L322-V334 HydrophobicContact CD1-CG1 3.54Å; L322-V334 HydrophobicContact CD2-CG1 3.71Å; L322-V334 HydrophobicContact CG-CG1 4.29Å; R332-V334 PolarHBondContact O-N 2.66Å; V334-V336 HydrophobicContact CG1-CG2 4.26Å |
| 335 | S | 91.1 | Very high | 87.5 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124 | 176.8 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 336 | V | 92.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 112.9 | -178.8 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | A282 M283 V301 H320 V334 L338 | A282-V336 CarbonylContact C-O 3.6Å; A282-V336 VanDerWaalsContact CA-O 3.24Å; A282-V336 WeakPolarHBondContact CA-O 3.46Å; A282-V336 WeakPolarHBondContact CB-O 3.44Å; M283-V336 HydrophobicContact CE-CB 4.25Å; M283-V336 HydrophobicContact CE-CG2 4.19Å; M283-V336 PolarHBondContact N-O 2.7Å; M283-V336 PolarHBondContact O-N 3.18Å; V301-V336 HydrophobicContact CB-CG1 4.3Å; V301-V336 HydrophobicContact CB-CG2 4.06Å; V301-V336 HydrophobicContact CG1-CG1 4.4Å; V301-V336 HydrophobicContact CG1-CG2 4.4Å; V301-V336 HydrophobicContact CG2-CG2 3.87Å; H320-V336 HydrophobicContact CB-CG1 4.05Å; V334-V336 HydrophobicContact CG1-CG2 4.26Å; V336-L338 HydrophobicContact CG1-CD2 4.17Å; V336-L338 PolarHBondContact O-N 2.88Å |
| 337 | P | 93.1 | Very high | 90.5 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124 | 178.2 | 27.9 | -33.2 | 0 | 0 | 0 | 110.8 | M318 | M318-P337 VanDerWaalsContact CE-O 3.25Å; M318-P337 WeakPolarHBondContact CE-O 3.24Å |
| 338 | L | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -6.5 | 179.5 | -62.6 | -176.2 | 0 | 0 | 0 | 113 | F280 Q281 M283 C303 F305 V336 L346 F364 | F280-L338 HydrophobicContact CB-CB 3.83Å; F280-L338 HydrophobicContact CB-CD1 3.76Å; F280-L338 HydrophobicContact CB-CG 4.47Å; F280-L338 HydrophobicContact CD1-CD1 4.27Å; F280-L338 HydrophobicContact CG-CD1 4.28Å; F280-L338 CarbonylContact O-C 3.03Å; F280-L338 WeakPolarHBondContact O-CB 3.16Å; Q281-L338 PolarHBondContact O-N 2.86Å; M283-L338 HydrophobicContact CB-CD1 3.83Å; M283-L338 HydrophobicContact CB-CG 4.28Å; C303-L338 HydrophobicContact CB-CD2 3.96Å; F305-L338 HydrophobicContact CE1-CB 4.11Å; F305-L338 HydrophobicContact CZ-CB 3.97Å; F305-L338 HydrophobicContact CZ-CD2 3.89Å; F305-L338 HydrophobicContact CZ-CG 4.37Å; V336-L338 HydrophobicContact CG1-CD2 4.17Å; V336-L338 PolarHBondContact O-N 2.88Å; L338-L346 HydrophobicContact CD1-CD1 3.98Å; L338-F364 HydrophobicContact CD1-CD1 4.44Å |
| 339 | G | 88.9 | Confident | 92.4 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 62% | 0.619 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 78.8 | 19.1 | 162 | 0 | 0 | 0 | 0 | 0 | 115.7 | F280 Q281 R341 | F280-G339 PolarHBondContact O-N 2.75Å; Q281-G339 PolarHBondContact O-N 3.16Å; G339-R341 PolarHBondContact O-N 2.78Å |
| 340 | G | 90.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 38% | 0.381 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.3 | 9.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F280 V342 | F280-G340 VanDerWaalsContact O-CA 3.23Å; F280-G340 WeakPolarHBondContact O-CA 3.42Å; F280-G340 PolarHBondContact O-N 2.76Å; G340-V342 PolarHBondContact O-N 3.04Å |
| 341 | R | 89.9 | Confident | 93.1 | Very high | 74 Ų | 74 | 32.8 Ų | 32.8 | 28% | 0.279 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 135.8 | -177.9 | -68.6 | -171.6 | -173 | -157.4 | 13.6 | 110.8 | F280 F305 E314 E316 M318 G339 | F280-R341 PolarHBondContact N-O 3.48Å; F305-R341 HydrophobicContact CD1-CB 3.61Å; F305-R341 HydrophobicContact CD1-CG 4.49Å; F305-R341 HydrophobicContact CE1-CB 3.68Å; F305-R341 HydrophobicContact CE1-CG 4.39Å; F305-R341 HydrophobicContact CG-CB 4.12Å; F305-R341 HydrophobicContact CZ-CB 4.24Å; F305-R341 HydrophobicContact CZ-CG 4.48Å; E314-R341 PolarHBondContact O-NH1 3.11Å; E316-R341 VanDerWaalsContact O-CZ 3.31Å; E316-R341 PolarHBondContact O-NH1 3.23Å; E316-R341 PolarHBondContact O-NH2 3.02Å; M318-R341 PolarHBondContact SD-NH2 3.21Å; G339-R341 PolarHBondContact O-N 2.78Å |
| 342 | V | 92.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.5 | -176.5 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | L277 R278 A279 R307 G340 V369 | L277-V342 HydrophobicContact CB-CG1 4.5Å; L277-V342 HydrophobicContact CD2-CG1 4.15Å; R278-V342 CarbonylContact O-C 3.52Å; R278-V342 VanDerWaalsContact O-CA 3.29Å; R278-V342 WeakPolarHBondContact O-CA 3.37Å; A279-V342 HydrophobicContact CB-CG2 4.15Å; R307-V342 WeakPolarHBondContact CD-O 3.38Å; R307-V342 WeakPolarHBondContact CG-O 3.47Å; G340-V342 PolarHBondContact O-N 3.04Å; V342-V369 HydrophobicContact CG1-CB 4.39Å; V342-V369 HydrophobicContact CG1-CG2 3.95Å; V342-V369 HydrophobicContact CG2-CG2 4.08Å |
| 343 | A | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L277 R278 F280 F305 L346 | L277-A343 CarbonylContact C-O 3.26Å; L277-A343 WeakPolarHBondContact CA-O 3.41Å; R278-A343 PolarHBondContact N-O 2.73Å; R278-A343 PolarHBondContact O-N 2.63Å; F280-A343 HydrophobicContact CD2-CB 4.1Å; F280-A343 HydrophobicContact CE2-CB 3.92Å; F305-A343 HydrophobicContact CB-CB 4.08Å; F305-A343 HydrophobicContact CD1-CB 4.04Å; A343-L346 HydrophobicContact CB-CD2 4.11Å |
| 344 | R | 94.1 | Very high | 93.4 | Very high | 83 Ų | 83 | 30.5 Ų | 30.5 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -18.7 | 162.1 | 178.6 | 171.6 | 165.7 | -165.9 | -10.2 | 112.1 | E273 F274 L277 R306 | E273-R344 IonicContact OE1-CZ 2.75Å; E273-R344 IonicContact OE1-NE 3.38Å; E273-R344 IonicContact OE1-NH2 2.69Å; E273-R344 PolarHBondContact OE1-NH2 3.31Å; F274-R344 WeakPolarHBondContact CD2-O 3.12Å; F274-R344 PolarHBondContact N-O 3.18Å; F274-R344 VanDerWaalsContact O-CG 3.28Å; F274-R344 WeakPolarHBondContact O-CG 3.44Å; F274-R344 PolarHBondContact O-NE 3.17Å; L277-R344 HydrophobicContact CD2-CB 4.38Å; R306-R344 PolarHBondContact O-N 2.92Å |
| 345 | F | 95.3 | Very high | 93.7 | Very high | 18 Ų | 18 | 32.9 Ų | 32.9 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.3 | 176.2 | -59.2 | -96.1 | 0 | 0 | 0 | 109.1 | F272 E273 R306 P309 W313 | F272-F345 VanDerWaalsContact O-CA 3.31Å; F272-F345 WeakPolarHBondContact O-CA 3.35Å; E273-F345 HydrophobicContact CB-CD1 3.95Å; E273-F345 HydrophobicContact CB-CE1 3.85Å; E273-F345 HydrophobicContact CG-CD1 4.02Å; E273-F345 HydrophobicContact CG-CE1 3.51Å; E273-F345 HydrophobicContact CG-CZ 3.99Å; E273-F345 WeakPolarHBondContact OE2-CE1 3.5Å; R306-F345 HydrophobicContact CB-CB 4.11Å; R306-F345 HydrophobicContact CG-CB 4.39Å; R306-F345 HydrophobicContact CG-CD2 4.42Å; R306-F345 PolarHBondContact N-O 3.27Å; R306-F345 PolarHBondContact O-N 2.96Å; P309-F345 HydrophobicContact CB-CE2 4.49Å; P309-F345 HydrophobicContact CB-CZ 4.32Å; W313-F345 HydrophobicContact CH2-CB 4.43Å; W313-F345 HydrophobicContact CZ3-CB 4.49Å |
| 346 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144 | 168.4 | -58 | 177.1 | 0 | 0 | 0 | 109.3 | E271 F272 F274 F280 R304 F305 L338 A343 F364 | E271-L346 CarbonylContact C-O 3.55Å; E271-L346 VanDerWaalsContact CA-O 3.28Å; E271-L346 WeakPolarHBondContact CA-O 3.41Å; F272-L346 HydrophobicContact CB-CB 4.32Å; F272-L346 HydrophobicContact CD2-CB 4.42Å; F272-L346 PolarHBondContact N-O 3.44Å; F272-L346 PolarHBondContact O-N 3.41Å; F274-L346 HydrophobicContact CE2-CB 4.5Å; F274-L346 HydrophobicContact CE2-CD1 3.87Å; F274-L346 HydrophobicContact CE2-CG 3.96Å; F274-L346 HydrophobicContact CZ-CD1 4.14Å; F280-L346 HydrophobicContact CD1-CD1 3.91Å; F280-L346 HydrophobicContact CD2-CD2 4.22Å; F280-L346 HydrophobicContact CE1-CD1 3.92Å; F280-L346 HydrophobicContact CE2-CD2 4.38Å; F280-L346 HydrophobicContact CE2-CG 4.47Å; F280-L346 HydrophobicContact CG-CD1 4.22Å; F280-L346 HydrophobicContact CZ-CD1 4.24Å; F280-L346 HydrophobicContact CZ-CG 4.45Å; R304-L346 VanDerWaalsContact O-CA 3.32Å; R304-L346 WeakPolarHBondContact O-CA 3.35Å; F305-L346 HydrophobicContact CD1-CD2 3.28Å; F305-L346 HydrophobicContact CE1-CD2 3.52Å; F305-L346 HydrophobicContact CG-CD2 3.98Å; F305-L346 HydrophobicContact CZ-CD2 4.36Å; L338-L346 HydrophobicContact CD1-CD1 3.98Å; A343-L346 HydrophobicContact CB-CD2 4.11Å; L346-F364 HydrophobicContact CD1-CD1 3.84Å; L346-F364 HydrophobicContact CD1-CE1 3.59Å |
| 347 | Q | 96.5 | Very high | 94.2 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117 | 164.8 | 173.6 | -172.5 | 93 | 0 | 0 | 107.1 | E269 M270 E271 C303 R304 W313 | E269-Q347 HydrophobicContact CG-CG 4.04Å; M270-Q347 CarbonylContact O-C 3.54Å; M270-Q347 WeakPolarHBondContact O-CA 3.44Å; E271-Q347 HydrophobicContact CG-CB 3.97Å; E271-Q347 HydrophobicContact CG-CG 4.03Å; E271-Q347 PolarHBondContact OE1-NE2 2.91Å; C303-Q347 CarbonylContact C-O 3.43Å; C303-Q347 WeakPolarHBondContact CA-O 3.39Å; R304-Q347 HydrophobicContact CB-CB 4.34Å; R304-Q347 PolarHBondContact N-O 2.61Å; R304-Q347 PolarHBondContact O-N 3.31Å; W313-Q347 HydrophobicContact CH2-CB 3.39Å; W313-Q347 HydrophobicContact CZ2-CB 3.75Å; W313-Q347 HydrophobicContact CZ3-CB 3.82Å |
| 348 | C | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.3 | -177.2 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | E269 M270 F272 M283 V301 E302 C303 F350 | E269-C348 WeakPolarHBondContact CA-O 3.26Å; M270-C348 PolarHBondContact N-O 2.97Å; M270-C348 PolarHBondContact O-N 3.32Å; F272-C348 HydrophobicContact CE2-CB 4.24Å; M283-C348 HydrophobicContact CE-CB 4.43Å; V301-C348 HydrophobicContact CG1-CB 4.46Å; E302-C348 CarbonylContact O-C 3.56Å; E302-C348 VanDerWaalsContact O-CA 3.27Å; E302-C348 WeakPolarHBondContact O-CA 3.3Å; C303-C348 HydrophobicContact CB-CB 4.23Å; C303-C348 WeakPolarHBondContact CB-SG 3.4Å; C303-C348 WeakPolarHBondContact SG-CB 3.43Å; C303-C348 CovalentContact SG-SG 2.05Å; C303-C348 PolarHBondContact SG-SG 3.28Å; C348-F350 HydrophobicContact CB-CE2 4.02Å; C348-F350 HydrophobicContact CB-CZ 3.97Å |
| 349 | R | 97.3 | Very high | 94.7 | Very high | 48 Ų | 48 | 28.8 Ų | 28.8 | 18% | 0.181 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.3 | 179.3 | -63.8 | 173.3 | 172.8 | 164.3 | -3.7 | 109.9 | Y267 V268 E269 V301 E302 | Y267-R349 HydrophobicContact CD2-CB 3.86Å; Y267-R349 HydrophobicContact CD2-CG 3.71Å; Y267-R349 HydrophobicContact CE2-CB 4.4Å; Y267-R349 HydrophobicContact CE2-CG 3.79Å; Y267-R349 HydrophobicContact CG-CB 4.08Å; Y267-R349 HydrophobicContact CG-CG 4.36Å; V268-R349 CarbonylContact O-C 3.3Å; V268-R349 WeakPolarHBondContact O-CA 3.41Å; E269-R349 HydrophobicContact CB-CG 4.33Å; E269-R349 HydrophobicContact CG-CG 4.14Å; E269-R349 IonicContact OE2-CZ 3.46Å; E269-R349 IonicContact OE2-NE 3.77Å; E269-R349 PolarHBondContact OE2-NE 2.94Å; E269-R349 IonicContact OE2-NH2 3.16Å; E269-R349 PolarHBondContact OE2-NH2 3.23Å; V301-R349 VanDerWaalsContact CA-O 3.28Å; V301-R349 WeakPolarHBondContact CA-O 3.44Å; E302-R349 HydrophobicContact CB-CB 4.32Å; E302-R349 PolarHBondContact N-O 2.72Å; E302-R349 PolarHBondContact O-N 2.79Å; E302-R349 IonicContact OE1-NH1 3.78Å; E302-R349 PolarHBondContact OE1-NH1 3.25Å |
| 350 | F | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 109.4 | -178.5 | -56.6 | -86.1 | 0 | 0 | 0 | 109.3 | Y267 V268 M270 M283 V285 P298 V301 C348 L357 F359 | Y267-F350 WeakPolarHBondContact CA-O 3.43Å; Y267-F350 VanDerWaalsContact CB-O 3.29Å; Y267-F350 WeakPolarHBondContact CB-O 3.38Å; V268-F350 PolarHBondContact N-O 3.26Å; V268-F350 PolarHBondContact O-N 2.94Å; M270-F350 HydrophobicContact CB-CE2 4.32Å; M270-F350 HydrophobicContact CG-CE2 4.14Å; M270-F350 HydrophobicContact SD-CD2 4.38Å; M270-F350 HydrophobicContact SD-CE2 3.77Å; M283-F350 HydrophobicContact CE-CE1 3.71Å; M283-F350 HydrophobicContact CE-CZ 3.8Å; M283-F350 HydrophobicContact SD-CZ 4.19Å; V285-F350 HydrophobicContact CG2-CE1 3.98Å; V285-F350 HydrophobicContact CG2-CZ 4.43Å; P298-F350 HydrophobicContact CB-CB 4.43Å; V301-F350 HydrophobicContact CB-CD1 4.45Å; V301-F350 HydrophobicContact CG1-CD1 3.94Å; V301-F350 HydrophobicContact CG1-CE1 3.76Å; V301-F350 HydrophobicContact CG1-CZ 4.42Å; V301-F350 HydrophobicContact CG2-CD1 3.7Å; V301-F350 HydrophobicContact CG2-CE1 4.03Å; C348-F350 HydrophobicContact CB-CE2 4.02Å; C348-F350 HydrophobicContact CB-CZ 3.97Å; F350-L357 HydrophobicContact CB-CD1 4.12Å; F350-L357 WeakPolarHBondContact O-CD1 3.49Å; F350-F359 HydrophobicContact CB-CE2 4.25Å; F350-F359 HydrophobicContact CB-CZ 3.85Å; F350-F359 HydrophobicContact CD1-CE2 4.03Å; F350-F359 AromaticContact CD1-CZ 3.79Å; F350-F359 HydrophobicContact CD1-CZ 3.79Å; F350-F359 AromaticContact CD2-CE2 3.96Å; F350-F359 HydrophobicContact CD2-CE2 3.96Å; F350-F359 HydrophobicContact CD2-CZ 4.36Å; F350-F359 HydrophobicContact CE1-CE2 4.41Å; F350-F359 HydrophobicContact CE1-CZ 4.47Å; F350-F359 HydrophobicContact CE2-CE2 4.33Å; F350-F359 AromaticContact CG-CE2 3.8Å; F350-F359 HydrophobicContact CG-CE2 3.8Å; F350-F359 AromaticContact CG-CZ 3.73Å; F350-F359 HydrophobicContact CG-CZ 3.73Å |
| 351 | L | 96.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 24.2 Ų | 24.2 | 25% | 0.246 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 129.7 | -176.1 | -66.8 | 162.2 | 0 | 0 | 0 | 110.8 | Y267 P298 G299 G300 A353 | Y267-L351 HydrophobicContact CD1-CD2 4.36Å; P298-L351 CarbonylContact C-O 3.53Å; P298-L351 VanDerWaalsContact CA-O 3.29Å; P298-L351 WeakPolarHBondContact CA-O 3.47Å; G299-L351 PolarHBondContact N-O 3.06Å; G300-L351 WeakPolarHBondContact O-CB 3.32Å; G300-L351 PolarHBondContact O-N 3.26Å; L351-A353 PolarHBondContact O-N 2.96Å |
| 352 | F | 95.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 20.8 Ų | 20.8 | 11% | 0.114 | 11% | 0.11 | C | C | . | . | trans | -66 | 130 | 175.2 | -70.5 | -84.5 | 0 | 0 | 0 | 111.2 | W258 N260 F263 G266 V268 L357 | W258-F352 HydrophobicContact CB-CZ 4.2Å; W258-F352 WeakPolarHBondContact O-CE1 3.29Å; N260-F352 HydrophobicContact CB-CB 4.04Å; N260-F352 HydrophobicContact CB-CD1 3.67Å; N260-F352 HydrophobicContact CB-CD2 4.07Å; N260-F352 HydrophobicContact CB-CE1 4.11Å; N260-F352 HydrophobicContact CB-CE2 4.48Å; N260-F352 HydrophobicContact CB-CG 3.67Å; N260-F352 HydrophobicContact CB-CZ 4.5Å; N260-F352 VanDerWaalsContact OD1-CD2 3.26Å; N260-F352 WeakPolarHBondContact OD1-CD2 3.21Å; N260-F352 WeakPolarHBondContact OD1-CG 3.39Å; F263-F352 HydrophobicContact CB-CE2 3.88Å; F263-F352 HydrophobicContact CD2-CE2 4.14Å; F263-F352 AromaticContact CD2-CZ 3.98Å; F263-F352 HydrophobicContact CD2-CZ 3.98Å; F263-F352 HydrophobicContact CG-CE2 4.16Å; F263-F352 HydrophobicContact CG-CZ 4.45Å; G266-F352 PolarHBondContact O-N 3.43Å; V268-F352 HydrophobicContact CG2-CE1 4.34Å; V268-F352 HydrophobicContact CG2-CE2 3.96Å; V268-F352 HydrophobicContact CG2-CZ 3.54Å; F352-L357 HydrophobicContact CD1-CB 4.14Å; F352-L357 HydrophobicContact CD1-CD1 3.59Å; F352-L357 HydrophobicContact CD1-CG 3.53Å; F352-L357 HydrophobicContact CD2-CD1 4.33Å; F352-L357 HydrophobicContact CE1-CB 3.85Å; F352-L357 HydrophobicContact CE1-CD1 3.69Å; F352-L357 HydrophobicContact CE1-CG 3.73Å; F352-L357 HydrophobicContact CE2-CD1 4.41Å; F352-L357 HydrophobicContact CG-CD1 3.92Å; F352-L357 HydrophobicContact CG-CG 4.27Å; F352-L357 HydrophobicContact CZ-CD1 4.12Å | ||
| 353 | A | 92.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 18.9 Ų | 18.9 | 35% | 0.347 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -110.9 | 0.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R296 L297 L351 | R296-A353 VanDerWaalsContact CD-O 3.28Å; R296-A353 WeakPolarHBondContact CD-O 3.44Å; L297-A353 WeakPolarHBondContact O-CB 3.43Å; L351-A353 PolarHBondContact O-N 2.96Å |
| 354 | G | 91 | Very high | 95.8 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 13% | 0.134 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -154 | -179.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | W356 | G354-W356 PolarHBondContact O-N 3.38Š|
| 355 | P | 95.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 17.3 Ų | 17.3 | 40% | 0.396 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -55.1 | -33.6 | 177.4 | -28.9 | 36.1 | 0 | 0 | 0 | 114.7 | S259 N260 G294 | S259-P355 WeakPolarHBondContact CA-O 3.22Å; N260-P355 PolarHBondContact N-O 2.94Å; G294-P355 WeakPolarHBondContact O-CD 3.46Å |
| 356 | W | 97.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 17.3 Ų | 17.3 | 13% | 0.129 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.3 | -178.8 | -69.3 | 86.9 | 0 | 0 | 0 | 113.2 | Q200 T201 M202 L210 W258 G294 R296 G354 L358 | Q200-W356 HydrophobicContact CB-CH2 4.09Å; Q200-W356 HydrophobicContact CB-CZ3 3.95Å; T201-W356 WeakPolarHBondContact O-CH2 3.39Å; M202-W356 HydrophobicContact CB-CH2 3.79Å; M202-W356 HydrophobicContact CB-CZ2 3.61Å; M202-W356 HydrophobicContact CB-CZ3 4.29Å; M202-W356 HydrophobicContact CE-CB 4.23Å; M202-W356 HydrophobicContact CE-CD2 3.71Å; M202-W356 HydrophobicContact CE-CE3 4.21Å; M202-W356 HydrophobicContact CE-CG 3.67Å; M202-W356 HydrophobicContact CG-CD2 4.42Å; M202-W356 HydrophobicContact CG-CH2 4.36Å; M202-W356 HydrophobicContact CG-CZ2 3.67Å; L210-W356 HydrophobicContact CD1-CE3 4.02Å; L210-W356 HydrophobicContact CD1-CZ3 3.86Å; W258-W356 WeakPolarHBondContact O-CA 3.32Å; G294-W356 PolarHBondContact O-N 3.09Å; R296-W356 PolarHBondContact N-O 3.04Å; R296-W356 VanDerWaalsContact N-O 3.16Å; G354-W356 PolarHBondContact O-N 3.38Å; W356-L358 HydrophobicContact CB-CD2 4.22Å; W356-L358 HydrophobicContact CE3-CD2 4.21Å |
| 357 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.2 | 162.6 | -80.2 | 170.6 | 0 | 0 | 0 | 108.3 | G257 W258 V268 P298 F350 F352 F359 | G257-L357 CarbonylContact C-O 3.6Å; G257-L357 WeakPolarHBondContact CA-O 3.4Å; W258-L357 HydrophobicContact CE3-CB 4.49Å; W258-L357 PolarHBondContact N-O 2.92Å; W258-L357 PolarHBondContact O-N 3.38Å; V268-L357 HydrophobicContact CG2-CD1 4.12Å; P298-L357 HydrophobicContact CB-CD2 3.78Å; P298-L357 HydrophobicContact CG-CD2 4.35Å; F350-L357 HydrophobicContact CB-CD1 4.12Å; F350-L357 WeakPolarHBondContact O-CD1 3.49Å; F352-L357 HydrophobicContact CD1-CB 4.14Å; F352-L357 HydrophobicContact CD1-CD1 3.59Å; F352-L357 HydrophobicContact CD1-CG 3.53Å; F352-L357 HydrophobicContact CD2-CD1 4.33Å; F352-L357 HydrophobicContact CE1-CB 3.85Å; F352-L357 HydrophobicContact CE1-CD1 3.69Å; F352-L357 HydrophobicContact CE1-CG 3.73Å; F352-L357 HydrophobicContact CE2-CD1 4.41Å; F352-L357 HydrophobicContact CG-CD1 3.92Å; F352-L357 HydrophobicContact CG-CG 4.27Å; F352-L357 HydrophobicContact CZ-CD1 4.12Å; L357-F359 HydrophobicContact CD2-CE1 4.13Å; L357-F359 HydrophobicContact CD2-CZ 4.31Å |
| 358 | L | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.7 | 177.4 | -46 | -177.1 | 0 | 0 | 0 | 109.6 | M202 L210 F241 Y255 C287 N288 A295 W356 | M202-L358 HydrophobicContact CE-CD2 4.45Å; L210-L358 HydrophobicContact CD1-CD2 3.58Å; L210-L358 HydrophobicContact CD2-CD1 4.34Å; L210-L358 HydrophobicContact CD2-CD2 4.04Å; L210-L358 HydrophobicContact CG-CD2 4.29Å; F241-L358 HydrophobicContact CB-CD1 3.93Å; F241-L358 HydrophobicContact CD1-CD1 3.66Å; F241-L358 HydrophobicContact CD2-CD1 3.7Å; F241-L358 HydrophobicContact CE1-CD1 4Å; F241-L358 HydrophobicContact CE2-CD1 4.05Å; F241-L358 HydrophobicContact CG-CD1 3.48Å; F241-L358 VanDerWaalsContact CG-CD1 3.48Å; F241-L358 HydrophobicContact CZ-CD1 4.19Å; Y255-L358 HydrophobicContact CD1-CB 3.77Å; Y255-L358 HydrophobicContact CE1-CB 4.41Å; Y255-L358 HydrophobicContact CG-CB 4.29Å; C287-L358 WeakPolarHBondContact CA-O 3.27Å; N288-L358 HydrophobicContact CB-CB 3.94Å; N288-L358 HydrophobicContact CB-CD1 4.09Å; N288-L358 HydrophobicContact CB-CG 4.44Å; N288-L358 PolarHBondContact N-O 3.01Å; A295-L358 HydrophobicContact CB-CD1 3.65Å; A295-L358 HydrophobicContact CB-CG 3.91Å; W356-L358 HydrophobicContact CB-CD2 4.22Å; W356-L358 HydrophobicContact CE3-CD2 4.21Å |
| 359 | F | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.4 | 176.6 | -54.1 | -30 | 0 | 0 | 0 | 111.1 | L231 Y255 V256 W258 M270 V285 H286 C287 P298 F350 L357 I362 | L231-F359 HydrophobicContact CD2-CB 3.71Å; L231-F359 WeakPolarHBondContact CD2-O 3.48Å; Y255-F359 WeakPolarHBondContact CA-O 3.43Å; V256-F359 PolarHBondContact N-O 3.46Å; V256-F359 PolarHBondContact O-N 3.38Å; W258-F359 HydrophobicContact CH2-CD2 4.1Å; W258-F359 AromaticContact CZ3-CD2 3.63Å; W258-F359 HydrophobicContact CZ3-CD2 3.63Å; W258-F359 AromaticContact CZ3-CE2 4Å; W258-F359 HydrophobicContact CZ3-CE2 4Å; W258-F359 HydrophobicContact CZ3-CG 4.19Å; M270-F359 HydrophobicContact CE-CD2 3.99Å; M270-F359 HydrophobicContact CE-CE2 4.11Å; V285-F359 HydrophobicContact CG1-CB 4.14Å; V285-F359 HydrophobicContact CG1-CD1 3.6Å; V285-F359 HydrophobicContact CG1-CD2 4.05Å; V285-F359 HydrophobicContact CG1-CE1 4Å; V285-F359 HydrophobicContact CG1-CE2 4.4Å; V285-F359 HydrophobicContact CG1-CG 3.67Å; V285-F359 HydrophobicContact CG1-CZ 4.38Å; H286-F359 CarbonylContact O-C 3.52Å; H286-F359 VanDerWaalsContact O-CA 3.27Å; H286-F359 WeakPolarHBondContact O-CA 3.38Å; C287-F359 HydrophobicContact CB-CD1 4.3Å; C287-F359 VanDerWaalsContact SG-CD1 3.53Å; C287-F359 VanDerWaalsContact SG-CE1 3.51Å; P298-F359 HydrophobicContact CG-CE1 4.42Å; F350-F359 HydrophobicContact CB-CE2 4.25Å; F350-F359 HydrophobicContact CB-CZ 3.85Å; F350-F359 HydrophobicContact CD1-CE2 4.03Å; F350-F359 AromaticContact CD1-CZ 3.79Å; F350-F359 HydrophobicContact CD1-CZ 3.79Å; F350-F359 AromaticContact CD2-CE2 3.96Å; F350-F359 HydrophobicContact CD2-CE2 3.96Å; F350-F359 HydrophobicContact CD2-CZ 4.36Å; F350-F359 HydrophobicContact CE1-CE2 4.41Å; F350-F359 HydrophobicContact CE1-CZ 4.47Å; F350-F359 HydrophobicContact CE2-CE2 4.33Å; F350-F359 AromaticContact CG-CE2 3.8Å; F350-F359 HydrophobicContact CG-CE2 3.8Å; F350-F359 AromaticContact CG-CZ 3.73Å; F350-F359 HydrophobicContact CG-CZ 3.73Å; L357-F359 HydrophobicContact CD2-CE1 4.13Å; L357-F359 HydrophobicContact CD2-CZ 4.31Å; F359-I362 HydrophobicContact CD2-CD1 4.3Å |
| 360 | S | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -46 | 172.3 | -35.8 | 0 | 0 | 0 | 0 | 112.3 | Q230 L231 G237 D254 Y255 H286 | Q230-S360 CarbonylContact C-O 3.49Å; Q230-S360 VanDerWaalsContact O-O 3.08Å; L231-S360 WeakPolarHBondContact CA-O 3.45Å; G237-S360 WeakPolarHBondContact CA-OG 3.35Å; G237-S360 PolarHBondContact N-OG 2.88Å; G237-S360 VanDerWaalsContact N-OG 3.08Å; D254-S360 WeakPolarHBondContact O-CA 3.29Å; D254-S360 WeakPolarHBondContact O-CB 3.48Å; Y255-S360 WeakPolarHBondContact CD1-OG 3.46Å; Y255-S360 WeakPolarHBondContact CE1-OG 3.3Å; H286-S360 PolarHBondContact ND1-OG 2.9Å; H286-S360 PolarHBondContact O-N 3.02Å |
| 361 | E | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 142.5 | -164.2 | 168.1 | 78 | 175 | 0 | 0 | 109 | M22 H25 F26 A232 D233 G234 V285 H286 S363 | M22-E361 HydrophobicContact CE-CB 4.3Å; M22-E361 HydrophobicContact CE-CG 3.53Å; H25-E361 IonicContact CE1-OE1 3.48Å; H25-E361 IonicContact ND1-OE1 2.76Å; H25-E361 PolarHBondContact ND1-OE1 3.45Å; H25-E361 VanDerWaalsContact ND1-OE1 3.1Å; F26-E361 WeakPolarHBondContact CE1-OE1 3.32Å; A232-E361 WeakPolarHBondContact CA-OE2 3.37Å; D233-E361 PolarHBondContact N-OE2 3.45Å; G234-E361 PolarHBondContact N-OE2 3.01Å; G234-E361 VanDerWaalsContact N-OE2 3.1Å; V285-E361 WeakPolarHBondContact CA-O 3.28Å; H286-E361 HydrophobicContact CB-CB 4.26Å; H286-E361 PolarHBondContact N-O 2.83Å; E361-S363 PolarHBondContact OE1-OG 2.78Å |
| 362 | I | 96.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 116.8 | 175.6 | -56.2 | -178.2 | 0 | 0 | 0 | 108.6 | L231 M270 F272 M283 Q284 V285 F359 F364 | L231-I362 HydrophobicContact CB-CD1 4.47Å; L231-I362 HydrophobicContact CB-CG1 4.39Å; L231-I362 HydrophobicContact CD1-CD1 4.22Å; L231-I362 PolarHBondContact O-N 2.87Å; M270-I362 HydrophobicContact CE-CD1 4.46Å; M270-I362 HydrophobicContact SD-CD1 3.81Å; F272-I362 HydrophobicContact CE1-CD1 4.14Å; F272-I362 HydrophobicContact CE1-CG2 3.98Å; F272-I362 HydrophobicContact CZ-CD1 3.93Å; F272-I362 HydrophobicContact CZ-CG2 4.16Å; M283-I362 HydrophobicContact CG-CG2 4.08Å; M283-I362 HydrophobicContact SD-CG2 4.09Å; Q284-I362 WeakPolarHBondContact O-CA 3.47Å; V285-I362 HydrophobicContact CG1-CG1 4.12Å; V285-I362 HydrophobicContact CG2-CG1 4.23Å; V285-I362 HydrophobicContact CG2-CG2 4.21Å; F359-I362 HydrophobicContact CD2-CD1 4.3Å; I362-F364 HydrophobicContact CG2-CE2 3.65Å; I362-F364 HydrophobicContact CG2-CZ 3.69Å |
| 363 | S | 94.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.9 | 178.7 | -25.8 | 0 | 0 | 0 | 0 | 112.2 | M22 G24 D189 Q284 E361 | M22-S363 VanDerWaalsContact CE-OG 3.29Å; M22-S363 WeakPolarHBondContact CE-OG 3.5Å; G24-S363 WeakPolarHBondContact O-CB 3.41Å; D189-S363 WeakPolarHBondContact OD2-CA 3.48Å; Q284-S363 PolarHBondContact N-O 3.3Å; Q284-S363 PolarHBondContact O-N 3.15Å; E361-S363 PolarHBondContact OE1-OG 2.78Å |
| 364 | F | 95 | Very high | 83.5 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.022 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.6 | -171.8 | -63.8 | -89.5 | 0 | 0 | 0 | 112.4 | D189 L191 F272 F274 F280 M283 L338 L346 I362 S366 | D189-F364 PolarHBondContact OD2-N 3.23Å; L191-F364 HydrophobicContact CD1-CE2 4.4Å; L191-F364 HydrophobicContact CD2-CE2 4.38Å; F272-F364 HydrophobicContact CB-CZ 4.24Å; F272-F364 AromaticContact CD1-CE2 3.64Å; F272-F364 HydrophobicContact CD1-CE2 3.64Å; F272-F364 AromaticContact CD1-CZ 3.49Å; F272-F364 HydrophobicContact CD1-CZ 3.49Å; F272-F364 VanDerWaalsContact CD1-CZ 3.49Å; F272-F364 AromaticContact CD2-CZ 3.97Å; F272-F364 HydrophobicContact CD2-CZ 3.97Å; F272-F364 AromaticContact CE1-CE2 3.96Å; F272-F364 HydrophobicContact CE1-CE2 3.96Å; F272-F364 AromaticContact CE1-CZ 3.72Å; F272-F364 HydrophobicContact CE1-CZ 3.72Å; F272-F364 HydrophobicContact CE2-CZ 4.17Å; F272-F364 HydrophobicContact CG-CE2 4.15Å; F272-F364 AromaticContact CG-CZ 3.63Å; F272-F364 HydrophobicContact CG-CZ 3.63Å; F272-F364 HydrophobicContact CZ-CZ 4.06Å; F274-F364 HydrophobicContact CE1-CB 3.9Å; F274-F364 HydrophobicContact CE1-CD1 4.33Å; F274-F364 AromaticContact CE1-CD2 3.64Å; F274-F364 HydrophobicContact CE1-CD2 3.64Å; F274-F364 HydrophobicContact CE1-CE2 4.26Å; F274-F364 AromaticContact CE1-CG 3.69Å; F274-F364 HydrophobicContact CE1-CG 3.69Å; F274-F364 HydrophobicContact CZ-CB 4.19Å; F274-F364 AromaticContact CZ-CD1 3.75Å; F274-F364 HydrophobicContact CZ-CD1 3.75Å; F274-F364 AromaticContact CZ-CD2 3.54Å; F274-F364 HydrophobicContact CZ-CD2 3.54Å; F274-F364 AromaticContact CZ-CE1 3.96Å; F274-F364 HydrophobicContact CZ-CE1 3.96Å; F274-F364 AromaticContact CZ-CE2 3.77Å; F274-F364 HydrophobicContact CZ-CE2 3.77Å; F274-F364 AromaticContact CZ-CG 3.54Å; F274-F364 HydrophobicContact CZ-CG 3.54Å; F274-F364 AromaticContact CZ-CZ 3.98Å; F274-F364 HydrophobicContact CZ-CZ 3.98Å; F280-F364 HydrophobicContact CD1-CB 4.33Å; F280-F364 HydrophobicContact CD1-CD1 4.25Å; F280-F364 HydrophobicContact CE1-CB 4.17Å; F280-F364 HydrophobicContact CE1-CD1 4.26Å; F280-F364 HydrophobicContact CE1-CG 4.43Å; M283-F364 HydrophobicContact CB-CD1 3.85Å; M283-F364 HydrophobicContact CB-CE1 3.8Å; M283-F364 HydrophobicContact CG-CD1 3.96Å; M283-F364 HydrophobicContact CG-CE1 3.53Å; M283-F364 HydrophobicContact CG-CZ 4.01Å; M283-F364 HydrophobicContact SD-CD1 4.47Å; M283-F364 HydrophobicContact SD-CE1 3.49Å; M283-F364 WeakPolarHBondContact SD-CE1 3.36Å; M283-F364 HydrophobicContact SD-CZ 3.76Å; L338-F364 HydrophobicContact CD1-CD1 4.44Å; L346-F364 HydrophobicContact CD1-CD1 3.84Å; L346-F364 HydrophobicContact CD1-CE1 3.59Å; I362-F364 HydrophobicContact CG2-CE2 3.65Å; I362-F364 HydrophobicContact CG2-CZ 3.69Å; F364-S366 PolarHBondContact O-N 3.25Å |
| 365 | I | 93.3 | Very high | 80.7 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 23% | 0.226 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 104.3 | 175.1 | -55.9 | 177.9 | 0 | 0 | 0 | 107.7 | K23 Q281 A282 | K23-I365 HydrophobicContact CB-CD1 4.18Å; Q281-I365 HydrophobicContact CB-CG2 4.14Å; Q281-I365 WeakPolarHBondContact CB-O 3.23Å; Q281-I365 HydrophobicContact CG-CG2 4.48Å; Q281-I365 PolarHBondContact N-O 3.37Å; A282-I365 PolarHBondContact N-O 2.83Å; A282-I365 PolarHBondContact O-N 3.04Å |
| 366 | S | 93.4 | Very high | 77.7 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 149.8 | -174.1 | 69.7 | 0 | 0 | 0 | 0 | 114.4 | R278 A279 F364 | R278-S366 PolarHBondContact NH1-OG 2.71Å; A279-S366 VanDerWaalsContact O-CA 3.22Å; A279-S366 WeakPolarHBondContact O-CA 3.13Å; A279-S366 WeakPolarHBondContact O-CB 3.39Å; F364-S366 PolarHBondContact O-N 3.25Å |
| 367 | D | 92.5 | Very high | 74.6 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 142.2 | 177.6 | -57.1 | -69.7 | 0 | 0 | 0 | 111.5 | R278 A279 Q281 | R278-D367 CarbonylContact C-O 3.5Å; R278-D367 WeakPolarHBondContact CA-O 3.32Å; A279-D367 PolarHBondContact N-O 2.85Å; A279-D367 PolarHBondContact O-N 2.96Å; A279-D367 VanDerWaalsContact O-N 3.08Å; Q281-D367 PolarHBondContact NE2-OD2 3.03Å |
| 368 | V | 90.9 | Very high | 71.3 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 38% | 0.376 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 127.9 | 180 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | R276 R278 | R276-V368 HydrophobicContact CB-CG1 4.17Å; R276-V368 HydrophobicContact CG-CG1 4.45Å; R278-V368 HydrophobicContact CG-CG2 4.26Å |
| 369 | V | 90.7 | Very high | 68.1 | Low | 49 Ų | 49 | 68.1 Ų | 68.1 | 30% | 0.297 | 45% | 0.448 | S | S | . | . | trans | -94.6 | 103.6 | -179.5 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | L277 A279 V342 | L277-V369 HydrophobicContact CB-CB 4.43Å; L277-V369 PolarHBondContact O-N 2.93Å; A279-V369 HydrophobicContact CB-CG2 4.05Å; V342-V369 HydrophobicContact CG1-CB 4.39Å; V342-V369 HydrophobicContact CG1-CG2 3.95Å; V342-V369 HydrophobicContact CG2-CG2 4.08Å | ||
| 370 | N | 77.5 | Confident | 64.7 | Low | 124 Ų | 124 | 78 Ų | 78 | 66% | 0.663 | 49% | 0.491 | S | S | * | . | trans | -77 | 121.5 | 173.2 | -76.7 | -21.4 | 0 | 0 | 0 | 111 | S372 | N370-S372 PolarHBondContact O-N 3.1Š| ||
| 371 | N | 51.8 | Low | 61.5 | Low | 130 Ų | 130 | 83.3 Ų | 83.3 | 70% | 0.695 | 53% | 0.526 | S | S | * | . | trans | -77.7 | 58.8 | 178.5 | -107.4 | 16.9 | 0 | 0 | 0 | 112.4 | ||||
| 372 | S | 38 | Very low | 58.9 | Low | 103 Ų | 103 | 89.5 Ų | 89.5 | 72% | 0.72 | 57% | 0.566 | S | S | * | * | trans | -101 | 54.8 | 173.5 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | N370 | N370-S372 PolarHBondContact O-N 3.1Š| ||
| 373 | S | 31.4 | Very low | 55.6 | Low | 103 Ų | 103 | 93.9 Ų | 93.9 | 72% | 0.72 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -156.7 | 142.8 | 167.5 | -78.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 374 | P | 37.7 | Very low | 52.8 | Low | 131 Ų | 131 | 99.1 Ų | 99.1 | 85% | 0.851 | 64% | 0.637 | S | S | * | * | trans | -73.6 | 143.2 | -167.5 | 29 | -35.4 | 0 | 0 | 0 | 113.1 | ||||
| 375 | A | 32.4 | Very low | 49.5 | Very low | 101 Ų | 101 | 110.1 Ų | 110.1 | 84% | 0.835 | 68% | 0.678 | S | S | * | * | trans | -74.6 | 141.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 376 | L | 33.3 | Very low | 46.3 | Very low | 181 Ų | 181 | 120 Ų | 120 | 95% | 0.948 | 71% | 0.713 | S | S | * | * | trans | -88.1 | 113.3 | 173.2 | -153 | 82.4 | 0 | 0 | 0 | 110.5 | ||||
| 377 | G | 31.1 | Very low | 43.3 | Very low | 80 Ų | 80 | 124 Ų | 124 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 42.4 | 99 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 378 | G | 28 | Very low | 40.4 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -158.3 | 84.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 379 | T | 30.8 | Very low | 37.5 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -86.5 | 132.3 | -175.3 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 380 | F | 27.3 | Very low | 34.7 | Very low | 208 Ų | 208 | 129.7 Ų | 129.7 | 91% | 0.912 | 79% | 0.794 | S | S | * | * | trans | -163 | 164 | 146.1 | -88.4 | -52.6 | 0 | 0 | 0 | 110.2 | ||||
| 381 | P | 30 | Very low | 32.4 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -95.3 | 167.6 | -151.2 | 37.1 | -39.2 | 0 | 0 | 0 | 116.9 | ||||
| 382 | P | 41 | Very low | 31.3 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -97.3 | 161.6 | -169.9 | 38.3 | -36.9 | 0 | 0 | 0 | 116.2 | ||||
| 383 | A | 26.6 | Very low | 30.8 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -150.5 | 166.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 384 | P | 36.1 | Very low | 30.6 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | -119 | 144.1 | -91.2 | 7.4 | 15.2 | 0 | 0 | 0 | 116.9 | |||||
| 385 | W | 26.5 | Very low | 30 | Very low | 235 Ų | 235 | 135.3 Ų | 135.3 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | 39.9 | 110.2 | 147.9 | -53.5 | 101.1 | 0 | 0 | 0 | 122.2 | ||||
| 386 | W | 24.6 | Very low | 29.7 | Very low | 251 Ų | 251 | 135.7 Ų | 135.7 | 95% | 0.951 | 81% | 0.806 | S | S | * | * | -141.3 | 158.5 | 128.4 | -114.3 | -88.9 | 0 | 0 | 0 | 107.3 | |||||
| 387 | P | 31.1 | Very low | 29.4 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 157.6 | -163.5 | 34.9 | -31.6 | 0 | 0 | 0 | 113.7 | ||
| 388 | P | 31.5 | Very low | 29.1 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 139.9 | -179.7 | 31.7 | -35 | 0 | 0 | 0 | 112.9 | ||
| 389 | G | 30.9 | Very low | 29.2 | Very low | 62 Ų | 62 | 141.1 Ų | 141.1 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 167.1 | 157 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 390 | P | 31.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 151.3 | 179.7 | 28.6 | -35.2 | 0 | 0 | 0 | 111.9 | ||
| 391 | P | 28.4 | Very low | 28.8 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 139.9 | -178.7 | 29.2 | -34.8 | 0 | 0 | 0 | 111.4 | T393 | P391-T393 PolarHBondContact O-N 2.83Š|
| 392 | P | 29.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 135.7 | 166.5 | 28.3 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 393 | T | 27.6 | Very low | 28.1 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68 | 143.6 | 178.6 | 41.9 | 0 | 0 | 0 | 0 | 111.4 | P391 F395 | P391-T393 PolarHBondContact O-N 2.83Å; T393-F395 PolarHBondContact O-N 3.44Å |
| 394 | N | 26.2 | Very low | 28.3 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -55.8 | 112.2 | 175.8 | -73.4 | -21.3 | 0 | 0 | 0 | 111.3 | ||||
| 395 | F | 25.5 | Very low | 28.1 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -103 | 112.4 | 152.9 | -89.6 | -88.6 | 0 | 0 | 0 | 108.4 | T393 | T393-F395 PolarHBondContact O-N 3.44Š| ||
| 396 | S | 25.8 | Very low | 28.6 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -60.6 | 137.3 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | L398 | S396-L398 PolarHBondContact O-N 3.34Š| ||
| 397 | S | 26.4 | Very low | 29.4 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -64.8 | 97.2 | 176.4 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | E399 | S397-E399 PolarHBondContact O-N 3.48Š| ||
| 398 | L | 26.5 | Very low | 30.1 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -78.2 | 101.1 | 159 | -81.6 | 168.2 | 0 | 0 | 0 | 107.9 | S396 L400 | S396-L398 PolarHBondContact O-N 3.34Å; L398-L400 PolarHBondContact O-N 3.26Å; L398-L400 VanDerWaalsContact O-N 3.09Å | ||
| 399 | E | 29.1 | Very low | 30.5 | Very low | 182 Ų | 182 | 123.4 Ų | 123.4 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | trans | -66.8 | 104.4 | 171 | -65.1 | -179.6 | 126.9 | 0 | 0 | 108.9 | S397 E401 | S397-E399 PolarHBondContact O-N 3.48Å; E399-E401 PolarHBondContact O-N 2.9Å | ||
| 400 | L | 25 | Very low | 30.8 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | -85.5 | 98 | 171.8 | -126.8 | 76.2 | 0 | 0 | 0 | 109.3 | L398 | L398-L400 PolarHBondContact O-N 3.26Å; L398-L400 VanDerWaalsContact O-N 3.09Å | ||
| 401 | E | 25.8 | Very low | 31 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | -54.4 | 145.2 | 158.7 | -91.7 | -69.3 | 107.9 | 0 | 0 | 110.1 | E399 R403 | E399-E401 PolarHBondContact O-N 2.9Å; E401-R403 PolarHBondContact O-N 3.28Å | ||
| 402 | P | 28.3 | Very low | 31.4 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -64.5 | 106.1 | -174.7 | -19.7 | 32.5 | 0 | 0 | 0 | 111.8 | G404 | P402-G404 PolarHBondContact O-N 3.35Å; P402-G404 VanDerWaalsContact O-N 3.17Å | ||
| 403 | R | 28.1 | Very low | 31.7 | Very low | 206 Ų | 206 | 127.8 Ų | 127.8 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | trans | -62.2 | 119 | 169 | -75 | -177.5 | 170.4 | -177.5 | -2.6 | 108.5 | E401 Q405 | E401-R403 PolarHBondContact O-N 3.28Å; R403-Q405 PolarHBondContact O-N 3.4Å | ||
| 404 | G | 30.3 | Very low | 32.4 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 87% | 0.866 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 45.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | P402 | P402-G404 PolarHBondContact O-N 3.35Å; P402-G404 VanDerWaalsContact O-N 3.17Å |
| 405 | Q | 31.7 | Very low | 33.8 | Very low | 189 Ų | 189 | 121.3 Ų | 121.3 | 88% | 0.883 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.5 | 13.2 | 179.9 | -68.2 | -172.2 | -33.3 | 0 | 0 | 113.4 | R403 | R403-Q405 PolarHBondContact O-N 3.4Š|
| 406 | Q | 35.9 | Very low | 35.1 | Very low | 80 Ų | 80 | 116.1 Ų | 116.1 | 37% | 0.374 | 66% | 0.658 | S | S | . | * | trans | -66.3 | 138.3 | 170.9 | -82.8 | -170.1 | -49.2 | 0 | 0 | 111.3 | D39 V408 | D39-Q406 PolarHBondContact OD2-NE2 3.33Å; D39-Q406 VanDerWaalsContact OD2-NE2 3.15Å; Q406-V408 PolarHBondContact O-N 3.27Å | ||
| 407 | P | 42.3 | Very low | 36.3 | Very low | 75 Ų | 75 | 113.9 Ų | 113.9 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | trans | -71.8 | 114.5 | 178.2 | 29 | -33.4 | 0 | 0 | 0 | 110.7 | ||||
| 408 | V | 45.8 | Very low | 37.9 | Very low | 80 Ų | 80 | 114 Ų | 114 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | B | Isolated β-bridge | trans | -80 | 132.6 | 167.2 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | Y33 Q406 K410 | Y33-V408 HydrophobicContact CD1-CG2 4.08Å; Y33-V408 HydrophobicContact CE1-CG2 4.09Å; Q406-V408 PolarHBondContact O-N 3.27Å; V408-K410 PolarHBondContact O-N 2.95Å |
| 409 | A | 40.4 | Very low | 39.7 | Very low | 15 Ų | 15 | 111.8 Ų | 111.8 | 12% | 0.124 | 63% | 0.625 | C | S | . | * | trans | -63.9 | 98.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L99 L152 Y183 A411 | L99-A409 HydrophobicContact CD2-CB 4.18Å; L152-A409 HydrophobicContact CD1-CB 4.14Å; Y183-A409 HydrophobicContact CD1-CB 3.93Å; Y183-A409 HydrophobicContact CE1-CB 3.94Å; Y183-A409 HydrophobicContact CG-CB 4.41Å; A409-A411 PolarHBondContact O-N 3.49Å | ||
| 410 | K | 36.3 | Very low | 41.8 | Very low | 184 Ų | 184 | 108.3 Ų | 108.3 | 80% | 0.8 | 61% | 0.611 | S | S | * | * | trans | -63 | 125.9 | 171.4 | -72.1 | -178 | 179 | 176.6 | 0 | 108.4 | V408 E412 | V408-K410 PolarHBondContact O-N 2.95Å; K410-E412 PolarHBondContact O-N 3.33Å | ||
| 411 | A | 35.8 | Very low | 44.2 | Very low | 83 Ų | 83 | 103.6 Ų | 103.6 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | trans | -58.4 | 131.6 | 164 | 0 | 0 | 0 | 0 | 0 | 108.7 | A409 G413 | A409-A411 PolarHBondContact O-N 3.49Å; A411-G413 PolarHBondContact O-N 3.43Å | ||
| 412 | E | 36.7 | Very low | 46.8 | Very low | 191 Ų | 191 | 99 Ų | 99 | 89% | 0.893 | 58% | 0.582 | S | S | * | * | trans | -71.4 | 84.9 | 172.4 | -69.5 | -153.1 | 134.5 | 0 | 0 | 109.7 | K410 S414 | K410-E412 PolarHBondContact O-N 3.33Å; E412-S414 PolarHBondContact O-N 3.35Å | ||
| 413 | G | 35.6 | Very low | 49.4 | Very low | 56 Ų | 56 | 99.5 Ų | 99.5 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | trans | -62 | 89.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A411 | A411-G413 PolarHBondContact O-N 3.43Š| ||
| 414 | S | 43.9 | Very low | 52.3 | Low | 50 Ų | 50 | 93.2 Ų | 93.2 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | trans | -43.7 | 135.6 | -172.1 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | E412 T416 A417 | E412-S414 PolarHBondContact O-N 3.35Å; S414-T416 PolarHBondContact O-N 3.07Å; S414-T416 PolarHBondContact OG-N 3.39Å; S414-T416 PolarHBondContact OG-OG1 2.97Å; S414-A417 WeakPolarHBondContact O-CB 3.28Å; S414-A417 PolarHBondContact O-N 2.91Å | ||
| 415 | P | 54.4 | Low | 54.9 | Low | 95 Ų | 95 | 92 Ų | 92 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.8 | -20.8 | 178.2 | 23.8 | -33.7 | 0 | 0 | 0 | 112.5 | I418 L419 | P415-I418 PolarHBondContact O-N 3.44Å; P415-L419 VanDerWaalsContact O-CB 3.31Å; P415-L419 WeakPolarHBondContact O-CB 3.32Å; P415-L419 WeakPolarHBondContact O-CG 3.37Å; P415-L419 PolarHBondContact O-N 3.29Å |
| 416 | T | 53.3 | Low | 57.8 | Low | 83 Ų | 83 | 87.5 Ų | 87.5 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 171.8 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | S414 L419 I420 | S414-T416 PolarHBondContact O-N 3.07Å; S414-T416 PolarHBondContact OG-N 3.39Å; S414-T416 PolarHBondContact OG-OG1 2.97Å; T416-L419 PolarHBondContact O-N 3.33Å; T416-I420 WeakPolarHBondContact O-CB 3.12Å; T416-I420 WeakPolarHBondContact O-CD1 3.46Å; T416-I420 WeakPolarHBondContact O-CG1 3.45Å; T416-I420 PolarHBondContact O-N 3.06Å |
| 417 | A | 49.7 | Very low | 60.4 | Low | 62 Ų | 62 | 87.7 Ų | 87.7 | 51% | 0.512 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S414 G421 | S414-A417 WeakPolarHBondContact O-CB 3.28Å; S414-A417 PolarHBondContact O-N 2.91Å; A417-G421 PolarHBondContact O-N 3.44Å |
| 418 | I | 60.9 | Low | 62.8 | Low | 115 Ų | 115 | 89.3 Ų | 89.3 | 59% | 0.59 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.1 | -44.2 | 175.2 | -58 | 177.7 | 0 | 0 | 0 | 110.1 | P415 I420 G421 C422 | P415-I418 PolarHBondContact O-N 3.44Å; I418-I420 PolarHBondContact O-N 2.81Å; I418-G421 PolarHBondContact O-N 3.2Å; I418-C422 WeakPolarHBondContact O-CB 3.43Å; I418-C422 PolarHBondContact O-N 3.25Å; I418-C422 PolarHBondContact O-SG 3.25Å; I418-C422 VanDerWaalsContact O-SG 3.38Å |
| 419 | L | 63.7 | Low | 65 | Low | 116 Ų | 116 | 90.3 Ų | 90.3 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.3 | -45 | 175.1 | -83.4 | 163.7 | 0 | 0 | 0 | 112.3 | P415 T416 C422 L423 | P415-L419 VanDerWaalsContact O-CB 3.31Å; P415-L419 WeakPolarHBondContact O-CB 3.32Å; P415-L419 WeakPolarHBondContact O-CG 3.37Å; P415-L419 PolarHBondContact O-N 3.29Å; T416-L419 PolarHBondContact O-N 3.33Å; L419-C422 PolarHBondContact O-N 3.22Å; L419-L423 WeakPolarHBondContact O-CB 3.27Å; L419-L423 PolarHBondContact O-N 3.37Å |
| 420 | I | 74.6 | Confident | 67.4 | Low | 108 Ų | 108 | 94 Ų | 94 | 55% | 0.554 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -45.2 | 176.2 | -70.7 | 162.5 | 0 | 0 | 0 | 110.4 | T416 I418 C422 L423 V424 | T416-I420 WeakPolarHBondContact O-CB 3.12Å; T416-I420 WeakPolarHBondContact O-CD1 3.46Å; T416-I420 WeakPolarHBondContact O-CG1 3.45Å; T416-I420 PolarHBondContact O-N 3.06Å; I418-I420 PolarHBondContact O-N 2.81Å; I420-C422 PolarHBondContact O-N 3.32Å; I420-L423 PolarHBondContact O-N 3.31Å; I420-V424 HydrophobicContact CG2-CG2 4.34Å; I420-V424 WeakPolarHBondContact O-CB 3.1Å; I420-V424 WeakPolarHBondContact O-CG2 3.1Å; I420-V424 PolarHBondContact O-N 2.99Å |
| 421 | G | 74.3 | Confident | 70.1 | Confident | 42 Ų | 42 | 89.9 Ų | 89.9 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A417 I418 A425 | A417-G421 PolarHBondContact O-N 3.44Å; I418-G421 PolarHBondContact O-N 3.2Å; G421-A425 WeakPolarHBondContact O-CB 3.39Å; G421-A425 PolarHBondContact O-N 3.13Å |
| 422 | C | 81 | Confident | 72.9 | Confident | 66 Ų | 66 | 90.9 Ų | 90.9 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 174 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | I418 L419 I420 A425 I426 | I418-C422 WeakPolarHBondContact O-CB 3.43Å; I418-C422 PolarHBondContact O-N 3.25Å; I418-C422 PolarHBondContact O-SG 3.25Å; I418-C422 VanDerWaalsContact O-SG 3.38Å; L419-C422 PolarHBondContact O-N 3.22Å; I420-C422 PolarHBondContact O-N 3.32Å; C422-A425 PolarHBondContact O-N 3.08Å; C422-I426 WeakPolarHBondContact O-CB 3.42Å; C422-I426 WeakPolarHBondContact O-CD1 3.13Å; C422-I426 VanDerWaalsContact O-CG1 3.25Å; C422-I426 WeakPolarHBondContact O-CG1 3.49Å; C422-I426 PolarHBondContact O-N 2.76Å |
| 423 | L | 81.7 | Confident | 75.6 | Confident | 110 Ų | 110 | 85.5 Ų | 85.5 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | 179.2 | -148.3 | 91.4 | 0 | 0 | 0 | 111.2 | L419 I420 I426 I427 | L419-L423 WeakPolarHBondContact O-CB 3.27Å; L419-L423 PolarHBondContact O-N 3.37Å; I420-L423 PolarHBondContact O-N 3.31Å; L423-I426 PolarHBondContact O-N 2.54Å; L423-I427 HydrophobicContact CD2-CD1 4.25Å; L423-I427 HydrophobicContact CG-CD1 4.39Å; L423-I427 WeakPolarHBondContact O-CD1 3.42Å; L423-I427 VanDerWaalsContact O-CG1 3.26Å; L423-I427 WeakPolarHBondContact O-CG1 3.24Å; L423-I427 PolarHBondContact O-N 3.47Å |
| 424 | V | 89 | Confident | 78.3 | Confident | 74 Ų | 74 | 87 Ų | 87 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | I420 I426 I427 L428 | I420-V424 HydrophobicContact CG2-CG2 4.34Å; I420-V424 WeakPolarHBondContact O-CB 3.1Å; I420-V424 WeakPolarHBondContact O-CG2 3.1Å; I420-V424 PolarHBondContact O-N 2.99Å; V424-I426 PolarHBondContact O-N 2.72Å; V424-I427 PolarHBondContact O-N 2.82Å; V424-L428 HydrophobicContact CG1-CD1 3.91Å; V424-L428 HydrophobicContact CG1-CG 4.39Å; V424-L428 WeakPolarHBondContact O-CB 3.44Å; V424-L428 VanDerWaalsContact O-CG 3.31Å; V424-L428 WeakPolarHBondContact O-CG 3.26Å; V424-L428 PolarHBondContact O-N 3.25Å |
| 425 | A | 85.2 | Confident | 80.6 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G421 C422 L428 L429 | G421-A425 WeakPolarHBondContact O-CB 3.39Å; G421-A425 PolarHBondContact O-N 3.13Å; C422-A425 PolarHBondContact O-N 3.08Å; A425-L428 PolarHBondContact O-N 2.81Å; A425-L429 WeakPolarHBondContact O-CB 3.21Å; A425-L429 PolarHBondContact O-N 2.91Å |
| 426 | I | 92.3 | Very high | 82.3 | Confident | 96 Ų | 96 | 87.5 Ų | 87.5 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 175.7 | -70 | 163.4 | 0 | 0 | 0 | 111.1 | C422 L423 V424 L429 L430 | C422-I426 WeakPolarHBondContact O-CB 3.42Å; C422-I426 WeakPolarHBondContact O-CD1 3.13Å; C422-I426 VanDerWaalsContact O-CG1 3.25Å; C422-I426 WeakPolarHBondContact O-CG1 3.49Å; C422-I426 PolarHBondContact O-N 2.76Å; L423-I426 PolarHBondContact O-N 2.54Å; V424-I426 PolarHBondContact O-N 2.72Å; I426-L429 PolarHBondContact O-N 3.12Å; I426-L430 HydrophobicContact CG2-CD1 3.98Å; I426-L430 HydrophobicContact CG2-CG 4.5Å; I426-L430 WeakPolarHBondContact O-CB 3.46Å; I426-L430 WeakPolarHBondContact O-CG 3.42Å; I426-L430 PolarHBondContact O-N 2.84Å |
| 427 | I | 92.4 | Very high | 84 | Confident | 84 Ų | 84 | 89.1 Ų | 89.1 | 43% | 0.431 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.8 | -70.5 | 163.6 | 0 | 0 | 0 | 110.8 | L423 V424 L429 L430 L431 | L423-I427 HydrophobicContact CD2-CD1 4.25Å; L423-I427 HydrophobicContact CG-CD1 4.39Å; L423-I427 WeakPolarHBondContact O-CD1 3.42Å; L423-I427 VanDerWaalsContact O-CG1 3.26Å; L423-I427 WeakPolarHBondContact O-CG1 3.24Å; L423-I427 PolarHBondContact O-N 3.47Å; V424-I427 PolarHBondContact O-N 2.82Å; I427-L429 PolarHBondContact O-N 2.92Å; I427-L430 PolarHBondContact O-N 3.37Å; I427-L431 HydrophobicContact CG2-CD1 3.98Å; I427-L431 HydrophobicContact CG2-CG 4.48Å; I427-L431 WeakPolarHBondContact O-CB 3.32Å; I427-L431 VanDerWaalsContact O-CG 3.31Å; I427-L431 WeakPolarHBondContact O-CG 3.3Å; I427-L431 PolarHBondContact O-N 3.04Å |
| 428 | L | 90.7 | Very high | 85.9 | Confident | 108 Ų | 108 | 91.3 Ų | 91.3 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -39 | 176.5 | -70.9 | 171.2 | 0 | 0 | 0 | 112.2 | V424 A425 L431 L432 | V424-L428 HydrophobicContact CG1-CD1 3.91Å; V424-L428 HydrophobicContact CG1-CG 4.39Å; V424-L428 WeakPolarHBondContact O-CB 3.44Å; V424-L428 VanDerWaalsContact O-CG 3.31Å; V424-L428 WeakPolarHBondContact O-CG 3.26Å; V424-L428 PolarHBondContact O-N 3.25Å; A425-L428 PolarHBondContact O-N 2.81Å; L428-L431 PolarHBondContact O-N 2.86Å; L428-L432 WeakPolarHBondContact O-CB 3.33Å; L428-L432 PolarHBondContact O-N 3.37Å |
| 429 | L | 92.8 | Very high | 87.1 | Confident | 102 Ų | 102 | 93.7 Ų | 93.7 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 175.1 | -167.5 | 76.6 | 0 | 0 | 0 | 111.7 | A425 I426 I427 L432 I433 | A425-L429 WeakPolarHBondContact O-CB 3.21Å; A425-L429 PolarHBondContact O-N 2.91Å; I426-L429 PolarHBondContact O-N 3.12Å; I427-L429 PolarHBondContact O-N 2.92Å; L429-L432 WeakPolarHBondContact O-CB 3.36Å; L429-L432 PolarHBondContact O-N 2.04Å; L429-I433 HydrophobicContact CG-CD1 4.21Å; L429-I433 VanDerWaalsContact O-CG1 3.29Å; L429-I433 WeakPolarHBondContact O-CG1 3.38Å; L429-I433 PolarHBondContact O-N 2.83Å |
| 430 | L | 91.9 | Very high | 88.1 | Confident | 92 Ų | 92 | 96.1 Ų | 96.1 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 175.7 | -73.1 | 168.6 | 0 | 0 | 0 | 111.7 | I426 I427 L432 I433 I434 | I426-L430 HydrophobicContact CG2-CD1 3.98Å; I426-L430 HydrophobicContact CG2-CG 4.5Å; I426-L430 WeakPolarHBondContact O-CB 3.46Å; I426-L430 WeakPolarHBondContact O-CG 3.42Å; I426-L430 PolarHBondContact O-N 2.84Å; I427-L430 PolarHBondContact O-N 3.37Å; L430-L432 VanDerWaalsContact C-N 3.34Å; L430-L432 PolarHBondContact O-N 3.1Å; L430-I433 PolarHBondContact O-N 3.32Å; L430-I434 WeakPolarHBondContact O-CB 3.27Å; L430-I434 VanDerWaalsContact O-CG1 3.27Å; L430-I434 WeakPolarHBondContact O-CG1 3.45Å; L430-I434 PolarHBondContact O-N 3.02Å |
| 431 | L | 93.2 | Very high | 88.3 | Confident | 98 Ų | 98 | 95.4 Ų | 95.4 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 174.4 | -72.2 | 171 | 0 | 0 | 0 | 112 | I427 L428 I434 A435 | I427-L431 HydrophobicContact CG2-CD1 3.98Å; I427-L431 HydrophobicContact CG2-CG 4.48Å; I427-L431 WeakPolarHBondContact O-CB 3.32Å; I427-L431 VanDerWaalsContact O-CG 3.31Å; I427-L431 WeakPolarHBondContact O-CG 3.3Å; I427-L431 PolarHBondContact O-N 3.04Å; L428-L431 PolarHBondContact O-N 2.86Å; L431-I434 PolarHBondContact O-N 3.41Å; L431-A435 VanDerWaalsContact O-CB 3.29Å; L431-A435 WeakPolarHBondContact O-CB 3.3Å; L431-A435 PolarHBondContact O-N 3.33Å |
| 432 | L | 93.6 | Very high | 88.6 | Confident | 103 Ų | 103 | 98.6 Ų | 98.6 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.4 | -170.8 | 78.6 | 0 | 0 | 0 | 111.6 | L428 L429 L430 A435 L436 | L428-L432 WeakPolarHBondContact O-CB 3.33Å; L428-L432 PolarHBondContact O-N 3.37Å; L429-L432 WeakPolarHBondContact O-CB 3.36Å; L429-L432 PolarHBondContact O-N 2.04Å; L430-L432 VanDerWaalsContact C-N 3.34Å; L430-L432 PolarHBondContact O-N 3.1Å; L432-A435 PolarHBondContact O-N 2.89Å; L432-L436 HydrophobicContact CG-CD1 4.2Å; L432-L436 WeakPolarHBondContact O-CB 3.39Å; L432-L436 VanDerWaalsContact O-CG 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.3Å; L432-L436 PolarHBondContact O-N 3.24Å |
| 433 | I | 93.4 | Very high | 88.3 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 177.6 | -69.6 | 163.1 | 0 | 0 | 0 | 110.8 | L429 L430 L436 M437 | L429-I433 HydrophobicContact CG-CD1 4.21Å; L429-I433 VanDerWaalsContact O-CG1 3.29Å; L429-I433 WeakPolarHBondContact O-CG1 3.38Å; L429-I433 PolarHBondContact O-N 2.83Å; L430-I433 PolarHBondContact O-N 3.32Å; I433-L436 PolarHBondContact O-N 2.87Å; I433-M437 HydrophobicContact CG2-SD 4.31Å; I433-M437 WeakPolarHBondContact O-CB 3.46Å; I433-M437 WeakPolarHBondContact O-CG 3.47Å; I433-M437 PolarHBondContact O-N 3.04Å |
| 434 | I | 93.1 | Very high | 87.9 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 45% | 0.451 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.3 | -69.2 | 164 | 0 | 0 | 0 | 110.4 | L430 L431 L436 M437 L438 | L430-I434 WeakPolarHBondContact O-CB 3.27Å; L430-I434 VanDerWaalsContact O-CG1 3.27Å; L430-I434 WeakPolarHBondContact O-CG1 3.45Å; L430-I434 PolarHBondContact O-N 3.02Å; L431-I434 PolarHBondContact O-N 3.41Å; I434-L436 PolarHBondContact O-N 3.3Å; I434-M437 PolarHBondContact O-N 3.03Å; I434-L438 HydrophobicContact CG2-CD1 3.88Å; I434-L438 HydrophobicContact CG2-CG 4.34Å; I434-L438 WeakPolarHBondContact O-CB 3.26Å; I434-L438 VanDerWaalsContact O-CG 3.31Å; I434-L438 WeakPolarHBondContact O-CG 3.4Å; I434-L438 PolarHBondContact O-N 2.8Å |
| 435 | A | 91.3 | Very high | 87 | Confident | 53 Ų | 53 | 109 Ų | 109 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L431 L432 L438 W439 | L431-A435 VanDerWaalsContact O-CB 3.29Å; L431-A435 WeakPolarHBondContact O-CB 3.3Å; L431-A435 PolarHBondContact O-N 3.33Å; L432-A435 PolarHBondContact O-N 2.89Å; A435-L438 PolarHBondContact O-N 2.91Å; A435-W439 WeakPolarHBondContact O-CB 3.2Å; A435-W439 PolarHBondContact O-N 3.44Å |
| 436 | L | 91.3 | Very high | 86.2 | Confident | 102 Ų | 102 | 110 Ų | 110 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -37.2 | 175.1 | -72.9 | 169.1 | 0 | 0 | 0 | 112.6 | L432 I433 I434 R440 | L432-L436 HydrophobicContact CG-CD1 4.2Å; L432-L436 WeakPolarHBondContact O-CB 3.39Å; L432-L436 VanDerWaalsContact O-CG 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.3Å; L432-L436 PolarHBondContact O-N 3.24Å; I433-L436 PolarHBondContact O-N 2.87Å; I434-L436 PolarHBondContact O-N 3.3Å; L436-R440 VanDerWaalsContact O-CB 3.25Å; L436-R440 WeakPolarHBondContact O-CB 3.29Å; L436-R440 PolarHBondContact O-N 3.1Å |
| 437 | M | 89 | Confident | 84.9 | Confident | 117 Ų | 117 | 110.1 Ų | 110.1 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -45.6 | 173 | -76.7 | -178.2 | 64.2 | 0 | 0 | 111.6 | I433 I434 R440 L441 | I433-M437 HydrophobicContact CG2-SD 4.31Å; I433-M437 WeakPolarHBondContact O-CB 3.46Å; I433-M437 WeakPolarHBondContact O-CG 3.47Å; I433-M437 PolarHBondContact O-N 3.04Å; I434-M437 PolarHBondContact O-N 3.03Å; M437-R440 PolarHBondContact O-N 2.96Å; M437-L441 WeakPolarHBondContact O-CB 3.27Å; M437-L441 WeakPolarHBondContact O-CD1 3.5Å; M437-L441 VanDerWaalsContact O-CG 3.27Å; M437-L441 WeakPolarHBondContact O-CG 3.49Å; M437-L441 PolarHBondContact O-N 3.25Å |
| 438 | L | 88.1 | Confident | 83.3 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -40.8 | 176.1 | -70.7 | 173.4 | 0 | 0 | 0 | 111.6 | I434 A435 L441 H442 | I434-L438 HydrophobicContact CG2-CD1 3.88Å; I434-L438 HydrophobicContact CG2-CG 4.34Å; I434-L438 WeakPolarHBondContact O-CB 3.26Å; I434-L438 VanDerWaalsContact O-CG 3.31Å; I434-L438 WeakPolarHBondContact O-CG 3.4Å; I434-L438 PolarHBondContact O-N 2.8Å; A435-L438 PolarHBondContact O-N 2.91Å; L438-L441 PolarHBondContact O-N 3.08Å; L438-H442 VanDerWaalsContact O-CB 3.27Å; L438-H442 WeakPolarHBondContact O-CB 3.5Å; L438-H442 PolarHBondContact O-N 3.41Å |
| 439 | W | 86.8 | Confident | 81.7 | Confident | 165 Ų | 165 | 110.4 Ų | 110.4 | 63% | 0.625 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 173.1 | -176.9 | -98.4 | 0 | 0 | 0 | 111.7 | A435 H442 W443 | A435-W439 WeakPolarHBondContact O-CB 3.2Å; A435-W439 PolarHBondContact O-N 3.44Å; W439-H442 PolarHBondContact O-N 3.39Å; W439-W443 AromaticContact CD1-CD1 3.8Å; W439-W443 AromaticContact CE2-CD1 3.51Å; W439-W443 AromaticContact CE2-NE1 3.39Å; W439-W443 AromaticContact CZ2-CD1 3.97Å; W439-W443 AromaticContact CZ2-NE1 3.34Å; W439-W443 VanDerWaalsContact CZ2-NE1 3.34Å; W439-W443 AromaticContact NE1-CD1 3.37Å; W439-W443 AromaticContact NE1-NE1 3.54Å; W439-W443 WeakPolarHBondContact O-CB 3.33Å; W439-W443 PolarHBondContact O-N 3.46Å |
| 440 | R | 85.1 | Confident | 79.8 | Confident | 167 Ų | 167 | 108.1 Ų | 108.1 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.1 | -35.1 | 176.4 | -165.5 | 179.4 | -169 | -163 | 5.2 | 112.4 | L436 M437 R444 | L436-R440 VanDerWaalsContact O-CB 3.25Å; L436-R440 WeakPolarHBondContact O-CB 3.29Å; L436-R440 PolarHBondContact O-N 3.1Å; M437-R440 PolarHBondContact O-N 2.96Å; R440-R444 WeakPolarHBondContact O-CB 3.45Å; R440-R444 VanDerWaalsContact O-CG 3.3Å; R440-R444 WeakPolarHBondContact O-CG 3.43Å; R440-R444 PolarHBondContact O-N 3.4Å |
| 441 | L | 77.9 | Confident | 77.9 | Confident | 92 Ų | 92 | 110.4 Ų | 110.4 | 48% | 0.482 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 172.4 | -76.4 | 163.5 | 0 | 0 | 0 | 111.8 | M437 L438 R445 | M437-L441 WeakPolarHBondContact O-CB 3.27Å; M437-L441 WeakPolarHBondContact O-CD1 3.5Å; M437-L441 VanDerWaalsContact O-CG 3.27Å; M437-L441 WeakPolarHBondContact O-CG 3.49Å; M437-L441 PolarHBondContact O-N 3.25Å; L438-L441 PolarHBondContact O-N 3.08Å; L441-R445 WeakPolarHBondContact O-CB 3.49Å; L441-R445 WeakPolarHBondContact O-CG 3.46Å; L441-R445 PolarHBondContact O-N 3.16Å |
| 442 | H | 80 | Confident | 75.8 | Confident | 109 Ų | 109 | 114.6 Ų | 114.6 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 175.4 | -170.9 | 90.6 | 0 | 0 | 0 | 111 | L438 W439 R445 L446 | L438-H442 VanDerWaalsContact O-CB 3.27Å; L438-H442 WeakPolarHBondContact O-CB 3.5Å; L438-H442 PolarHBondContact O-N 3.41Å; W439-H442 PolarHBondContact O-N 3.39Å; H442-R445 CarbonylContact O-C 3.6Å; H442-R445 WeakPolarHBondContact O-CB 3.27Å; H442-R445 PolarHBondContact O-N 3.05Å; H442-R445 VanDerWaalsContact O-N 3.15Å; H442-L446 PolarHBondContact O-N 3.16Å |
| 443 | W | 75 | Confident | 73.6 | Confident | 121 Ų | 121 | 119.7 Ų | 119.7 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 174 | -93.8 | 98.4 | 0 | 0 | 0 | 113.4 | W439 R445 L446 L447 | W439-W443 AromaticContact CD1-CD1 3.8Å; W439-W443 AromaticContact CE2-CD1 3.51Å; W439-W443 AromaticContact CE2-NE1 3.39Å; W439-W443 AromaticContact CZ2-CD1 3.97Å; W439-W443 AromaticContact CZ2-NE1 3.34Å; W439-W443 VanDerWaalsContact CZ2-NE1 3.34Å; W439-W443 AromaticContact NE1-CD1 3.37Å; W439-W443 AromaticContact NE1-NE1 3.54Å; W439-W443 WeakPolarHBondContact O-CB 3.33Å; W439-W443 PolarHBondContact O-N 3.46Å; W443-R445 VanDerWaalsContact C-N 3.33Å; W443-R445 PolarHBondContact O-N 2.77Å; W443-L446 HydrophobicContact CD2-CD1 4.46Å; W443-L446 PolarHBondContact O-N 2.92Å; W443-L447 HydrophobicContact CE3-CD1 4.43Å; W443-L447 HydrophobicContact CE3-CG 4.31Å; W443-L447 WeakPolarHBondContact O-CB 3.33Å; W443-L447 WeakPolarHBondContact O-CG 3.26Å; W443-L447 PolarHBondContact O-N 2.78Å |
| 444 | R | 74.4 | Confident | 71.5 | Confident | 160 Ų | 160 | 120.5 Ų | 120.5 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.2 | -40.9 | 170.3 | -81.2 | 178.3 | 167.8 | -164.9 | -5.8 | 112 | R440 S448 | R440-R444 WeakPolarHBondContact O-CB 3.45Å; R440-R444 VanDerWaalsContact O-CG 3.3Å; R440-R444 WeakPolarHBondContact O-CG 3.43Å; R440-R444 PolarHBondContact O-N 3.4Å; R444-S448 WeakPolarHBondContact O-CB 3.46Å; R444-S448 PolarHBondContact O-N 2.92Å; R444-S448 PolarHBondContact O-OG 3.42Å |
| 445 | R | 70.6 | Confident | 69.4 | Low | 187 Ų | 187 | 121.9 Ų | 121.9 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.6 | -39.9 | 174.6 | -76.9 | 176.8 | 174.2 | -171.3 | -1.1 | 112.2 | L441 H442 W443 S448 K449 | L441-R445 WeakPolarHBondContact O-CB 3.49Å; L441-R445 WeakPolarHBondContact O-CG 3.46Å; L441-R445 PolarHBondContact O-N 3.16Å; H442-R445 CarbonylContact O-C 3.6Å; H442-R445 WeakPolarHBondContact O-CB 3.27Å; H442-R445 PolarHBondContact O-N 3.05Å; H442-R445 VanDerWaalsContact O-N 3.15Å; W443-R445 VanDerWaalsContact C-N 3.33Å; W443-R445 PolarHBondContact O-N 2.77Å; R445-S448 WeakPolarHBondContact CA-OG 3.44Å; R445-S448 PolarHBondContact O-OG 3.46Å; R445-K449 WeakPolarHBondContact O-CG 3.48Å; R445-K449 PolarHBondContact O-N 2.7Å; R445-K449 VanDerWaalsContact O-N 3.16Å |
| 446 | L | 67.4 | Low | 67.2 | Low | 80 Ų | 80 | 126.9 Ų | 126.9 | 42% | 0.419 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.1 | -49.9 | 173.7 | -78.4 | 167.7 | 0 | 0 | 0 | 112 | H442 W443 S448 K449 A450 | H442-L446 PolarHBondContact O-N 3.16Å; W443-L446 HydrophobicContact CD2-CD1 4.46Å; W443-L446 PolarHBondContact O-N 2.92Å; L446-S448 PolarHBondContact O-N 3.03Å; L446-K449 CarbonylContact O-C 3.5Å; L446-K449 WeakPolarHBondContact O-CA 3.32Å; L446-K449 WeakPolarHBondContact O-CB 3.49Å; L446-K449 PolarHBondContact O-N 3.16Å; L446-A450 PolarHBondContact O-N 2.97Å |
| 447 | L | 64.1 | Low | 65.1 | Low | 98 Ų | 98 | 129.9 Ų | 129.9 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.1 | -43.6 | 177.9 | -72.1 | 164.4 | 0 | 0 | 0 | 111.7 | W443 K449 A450 E451 | W443-L447 HydrophobicContact CE3-CD1 4.43Å; W443-L447 HydrophobicContact CE3-CG 4.31Å; W443-L447 WeakPolarHBondContact O-CB 3.33Å; W443-L447 WeakPolarHBondContact O-CG 3.26Å; W443-L447 PolarHBondContact O-N 2.78Å; L447-K449 PolarHBondContact O-N 3.43Å; L447-K449 VanDerWaalsContact O-N 3.15Å; L447-A450 WeakPolarHBondContact O-CA 3.05Å; L447-A450 WeakPolarHBondContact O-CB 3.34Å; L447-A450 PolarHBondContact O-N 3.39Å; L447-E451 PolarHBondContact O-N 3.33Å |
| 448 | S | 60.5 | Low | 62.9 | Low | 47 Ų | 47 | 131.7 Ų | 131.7 | 33% | 0.329 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.3 | -18.2 | 174.2 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | R444 R445 L446 R452 | R444-S448 WeakPolarHBondContact O-CB 3.46Å; R444-S448 PolarHBondContact O-N 2.92Å; R444-S448 PolarHBondContact O-OG 3.42Å; R445-S448 WeakPolarHBondContact CA-OG 3.44Å; R445-S448 PolarHBondContact O-OG 3.46Å; L446-S448 PolarHBondContact O-N 3.03Å; S448-R452 WeakPolarHBondContact O-CB 3.45Å; S448-R452 WeakPolarHBondContact O-CD 3.39Å; S448-R452 VanDerWaalsContact O-CG 3.25Å; S448-R452 WeakPolarHBondContact O-CG 3.46Å |
| 449 | K | 56.4 | Low | 60.5 | Low | 151 Ų | 151 | 133.3 Ų | 133.3 | 66% | 0.657 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -90.5 | -19 | 171.4 | -78.3 | -177 | 173.1 | -170.3 | 0 | 112.8 | R445 L446 L447 | R445-K449 WeakPolarHBondContact O-CG 3.48Å; R445-K449 PolarHBondContact O-N 2.7Å; R445-K449 VanDerWaalsContact O-N 3.16Å; L446-K449 CarbonylContact O-C 3.5Å; L446-K449 WeakPolarHBondContact O-CA 3.32Å; L446-K449 WeakPolarHBondContact O-CB 3.49Å; L446-K449 PolarHBondContact O-N 3.16Å; L447-K449 PolarHBondContact O-N 3.43Å; L447-K449 VanDerWaalsContact O-N 3.15Å |
| 450 | A | 53.2 | Low | 58.2 | Low | 54 Ų | 54 | 131.3 Ų | 131.3 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -77.5 | -51.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L446 L447 R452 R453 V454 | L446-A450 PolarHBondContact O-N 2.97Å; L447-A450 WeakPolarHBondContact O-CA 3.05Å; L447-A450 WeakPolarHBondContact O-CB 3.34Å; L447-A450 PolarHBondContact O-N 3.39Å; A450-R452 VanDerWaalsContact C-N 3.32Å; A450-R452 PolarHBondContact O-N 3.35Å; A450-R453 PolarHBondContact O-N 2.92Å; A450-V454 PolarHBondContact O-N 3.19Å |
| 451 | E | 52.2 | Low | 56 | Low | 140 Ų | 140 | 127.9 Ų | 127.9 | 65% | 0.654 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.6 | -44 | 176.8 | -70.7 | 176.6 | 127.4 | 0 | 0 | 112.1 | L447 R453 V454 L455 | L447-E451 PolarHBondContact O-N 3.33Å; E451-R453 PolarHBondContact O-N 3.23Å; E451-V454 PolarHBondContact O-N 3.45Å; E451-L455 PolarHBondContact O-N 2.84Å |
| 452 | R | 48.4 | Very low | 54 | Low | 185 Ų | 185 | 132 Ų | 132 | 70% | 0.698 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.6 | -19.2 | 178.1 | -76.3 | -178.5 | -179.3 | -158.1 | -1.8 | 114.7 | S448 A450 | S448-R452 WeakPolarHBondContact O-CB 3.45Å; S448-R452 WeakPolarHBondContact O-CD 3.39Å; S448-R452 VanDerWaalsContact O-CG 3.25Å; S448-R452 WeakPolarHBondContact O-CG 3.46Å; A450-R452 VanDerWaalsContact C-N 3.32Å; A450-R452 PolarHBondContact O-N 3.35Å |
| 453 | R | 47.3 | Very low | 51.6 | Low | 210 Ų | 210 | 134.7 Ų | 134.7 | 79% | 0.792 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -85.8 | -15 | 172.2 | -80.2 | -172.2 | 173.3 | -167.4 | -2.1 | 113.9 | A450 E451 | A450-R453 PolarHBondContact O-N 2.92Å; E451-R453 PolarHBondContact O-N 3.23Å |
| 454 | V | 49.8 | Very low | 49.5 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -93.3 | -38 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | A450 E451 E456 | A450-V454 PolarHBondContact O-N 3.19Å; E451-V454 PolarHBondContact O-N 3.45Å; V454-E456 PolarHBondContact O-N 2.87Å |
| 455 | L | 47.9 | Very low | 47.4 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.4 | -17.2 | -175.2 | -151.5 | 72.8 | 0 | 0 | 0 | 114.7 | E451 | E451-L455 PolarHBondContact O-N 2.84Å |
| 456 | E | 45.4 | Very low | 46 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.2 | -14.6 | 176.5 | -77.3 | -176.8 | 157.7 | 0 | 0 | 113.6 | V454 | V454-E456 PolarHBondContact O-N 2.87Å |
| 457 | E | 46.4 | Very low | 44.2 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 77% | 0.771 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -88.4 | -29.6 | 174.8 | -68.5 | -168 | 133.9 | 0 | 0 | 113.4 | ||
| 458 | E | 43.7 | Very low | 42.6 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 73% | 0.729 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -92.2 | -17.6 | -175.6 | -73.9 | -165.3 | 132 | 0 | 0 | 115.7 | ||
| 459 | L | 37.3 | Very low | 41.1 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -101.3 | 30.9 | -173.6 | -145.3 | 74.3 | 0 | 0 | 0 | 115.1 | V461 | L459-V461 VanDerWaalsContact C-N 3.31Š| ||
| 460 | T | 39.6 | Very low | 40 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -89.3 | 14.9 | 172.4 | 40.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 461 | V | 37.5 | Very low | 38.9 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 57% | 0.57 | 75% | 0.745 | S | S | * | * | trans | -132.1 | 141.8 | -176.5 | -152.5 | 0 | 0 | 0 | 0 | 112.6 | L459 | L459-V461 VanDerWaalsContact C-N 3.31Š| ||
| 462 | H | 35.7 | Very low | 38.2 | Very low | 180 Ų | 180 | 141 Ų | 141 | 83% | 0.833 | 75% | 0.75 | S | S | * | * | trans | 82.8 | 117.6 | 174.3 | -59.1 | -70.4 | 0 | 0 | 0 | 118.7 | ||||
| 463 | L | 31.3 | Very low | 37.4 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | -97.7 | 174 | 178.9 | -59.2 | 86.9 | 0 | 0 | 0 | 112.5 | ||||
| 464 | S | 30 | Very low | 36.6 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | 116.2 | 148.4 | 142.6 | 76 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 465 | V | 31 | Very low | 35.6 | Very low | 139 Ų | 139 | 141 Ų | 141 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -166.6 | 157.7 | -159 | 153.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 466 | P | 41.3 | Very low | 35.5 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | cis | -122.7 | -157.7 | 3.6 | 43.8 | -29.4 | 0 | 0 | 0 | 113.5 | ||||
| 467 | G | 28.3 | Very low | 34.6 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 157.5 | 82.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 468 | D | 30.3 | Very low | 34.8 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 34.6 | 115.4 | 135.9 | -71.5 | 25.3 | 0 | 0 | 0 | 126 | ||||
| 469 | T | 30.7 | Very low | 34.2 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | 79 | 152.3 | 121.3 | -34.1 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 470 | I | 32.9 | Very low | 33.8 | Very low | 155 Ų | 155 | 137 Ų | 137 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | trans | 90.2 | 145.6 | 160.8 | -57 | -175.4 | 0 | 0 | 0 | 117.9 | ||||
| 471 | L | 29.1 | Very low | 34.4 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | cis | -177.8 | 176.1 | -42.1 | -129.6 | 170.8 | 0 | 0 | 0 | 110.2 | ||||
| 472 | I | 37.6 | Very low | 35.7 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 76 | 127.9 | 169.2 | -51.3 | -178.6 | 0 | 0 | 0 | 116.1 | ||||
| 473 | N | 31.4 | Very low | 37 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | cis | 104.9 | 129.5 | 9.6 | -171.6 | 17.4 | 0 | 0 | 0 | 116.5 | ||||
| 474 | N | 30.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -157.4 | 113.8 | 152 | -107.1 | -28.1 | 0 | 0 | 0 | 116.5 | ||||
| 475 | R | 30.7 | Very low | 37.3 | Very low | 211 Ų | 211 | 138.5 Ų | 138.5 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | -20.3 | 177.2 | 147.6 | -72.7 | 174.6 | 171.9 | 179 | -2.1 | 120 | ||||
| 476 | P | 44.9 | Very low | 37.4 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | cis | -135.1 | -176 | 9.8 | 29.2 | -4.4 | 0 | 0 | 0 | 117.6 | ||||
| 477 | G | 27.3 | Very low | 37.7 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | -99.4 | -139 | 166 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 478 | P | 49.7 | Very low | 37.9 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | cis | -153.4 | -168.2 | 7.9 | 47.1 | -26.7 | 0 | 0 | 0 | 118.4 | ||||
| 479 | R | 32 | Very low | 39.2 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | 81.6 | 143.4 | 147.8 | -77.7 | -164.8 | 155.9 | 132.5 | 7.1 | 122.6 | ||||
| 480 | E | 29.1 | Very low | 39.1 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | cis | -171.2 | -151.9 | -17.4 | -131.1 | 168.3 | -137.2 | 0 | 0 | 109.3 | ||||
| 481 | P | 52.3 | Low | 38.8 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | -102.6 | -78.8 | -75.7 | 15.1 | 3.6 | 0 | 0 | 0 | 122 | |||||
| 482 | P | 63.6 | Low | 38.8 | Very low | 108 Ų | 108 | 145 Ų | 145 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -133.1 | -150.4 | -145 | 46.7 | -26.3 | 0 | 0 | 0 | 113.9 | ||||
| 483 | P | 63.8 | Low | 39.9 | Very low | 98 Ų | 98 | 143 Ų | 143 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -141.2 | 164.3 | -10.3 | 40.4 | -20.9 | 0 | 0 | 0 | 119.8 | ||||
| 484 | Y | 35.8 | Very low | 40.8 | Very low | 216 Ų | 216 | 141.6 Ų | 141.6 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | 52.5 | 149.9 | 149 | -63.2 | -50.7 | 0 | 0 | 0 | 123.7 | ||||
| 485 | Q | 31.2 | Very low | 40.9 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | cis | -154.8 | -173.2 | 12.5 | -136.7 | 167.3 | 12.6 | 0 | 0 | 113.4 | ||||
| 486 | E | 33.3 | Very low | 40.9 | Very low | 124 Ų | 124 | 138 Ų | 138 | 58% | 0.579 | 75% | 0.751 | S | S | * | * | trans | -144.5 | 173.3 | 178.4 | -127.1 | -153.6 | -112.5 | 0 | 0 | 110.5 | R488 | E486-R488 IonicContact OE1-CZ 2.94Å; E486-R488 IonicContact OE1-NE 2.73Å; E486-R488 IonicContact OE1-NH2 2.8Å; E486-R488 PolarHBondContact OE1-NH2 3.26Å; E486-R488 WeakPolarHBondContact OE2-CG 3.23Å; E486-R488 IonicContact OE2-CZ 2.91Å; E486-R488 IonicContact OE2-NE 3.24Å; E486-R488 PolarHBondContact OE2-NE 3.03Å; E486-R488 IonicContact OE2-NH2 3.62Å; E486-R488 PolarHBondContact OE2-NH2 3.4Å | ||
| 487 | P | 46.9 | Very low | 40.2 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | cis | -148.6 | -118.9 | 44.7 | 42.4 | -16.7 | 0 | 0 | 0 | 118.9 | ||||
| 488 | R | 32.8 | Very low | 40.9 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | trans | -154.2 | -170.1 | -155.1 | -38.3 | 179.7 | -163.5 | -166.1 | -0.5 | 110.4 | E486 | E486-R488 IonicContact OE1-CZ 2.94Å; E486-R488 IonicContact OE1-NE 2.73Å; E486-R488 IonicContact OE1-NH2 2.8Å; E486-R488 PolarHBondContact OE1-NH2 3.26Å; E486-R488 WeakPolarHBondContact OE2-CG 3.23Å; E486-R488 IonicContact OE2-CZ 2.91Å; E486-R488 IonicContact OE2-NE 3.24Å; E486-R488 PolarHBondContact OE2-NE 3.03Å; E486-R488 IonicContact OE2-NH2 3.62Å; E486-R488 PolarHBondContact OE2-NH2 3.4Å | ||
| 489 | P | 56.7 | Low | 39.9 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | cis | -143 | -157.7 | -7.7 | 45.1 | -24.2 | 0 | 0 | 0 | 116.1 | ||||
| 490 | R | 29.6 | Very low | 39.8 | Very low | 253 Ų | 253 | 135.1 Ų | 135.1 | 96% | 0.955 | 75% | 0.752 | S | S | * | * | trans | 84.4 | 132.6 | 156.7 | -91.1 | -175.1 | 175.1 | -178.9 | -0.7 | 122.9 | ||||
| 491 | G | 26.5 | Very low | 40.7 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | 167.6 | 142.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 492 | N | 29.7 | Very low | 39.6 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -175.3 | 168.8 | -179.3 | -138.1 | 18.8 | 0 | 0 | 0 | 112 | ||||
| 493 | P | 60.8 | Low | 37.8 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | cis | -108 | -100.6 | -27.2 | 31.3 | -9.8 | 0 | 0 | 0 | 110.1 | ||||
| 494 | P | 50.2 | Low | 36.1 | Very low | 93 Ų | 93 | 135 Ų | 135 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | cis | -129.5 | 176.1 | -16.8 | 43.8 | -27.5 | 0 | 0 | 0 | 116.8 | ||||
| 495 | H | 33 | Very low | 35.8 | Very low | 182 Ų | 182 | 128.5 Ų | 128.5 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 58.8 | 146.3 | 162.2 | -65.2 | -59.6 | 0 | 0 | 0 | 120.4 | ||||
| 496 | S | 29.5 | Very low | 35.6 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -165.3 | 156.1 | -9.9 | 46.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 497 | A | 30.4 | Very low | 35.3 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -123.8 | 163.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 498 | P | 42.7 | Very low | 34.5 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | -137.7 | 153.4 | 111.5 | 16.3 | 6.2 | 0 | 0 | 0 | 112.9 | |||||
| 499 | C | 27.3 | Very low | 34.2 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | 79.6 | 113.8 | 50.6 | -69.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 500 | V | 29.6 | Very low | 33 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | 99.4 | 147.9 | 66.3 | 137.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 501 | P | 49.3 | Very low | 32.9 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | cis | -149.6 | -162.1 | -21.7 | 44.4 | -23.8 | 0 | 0 | 0 | 116.8 | ||||
| 502 | N | 28.3 | Very low | 33.1 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | 79.7 | 144.9 | 144.8 | -74.3 | -1.6 | 0 | 0 | 0 | 124.1 | ||||
| 503 | G | 27.1 | Very low | 33.5 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 177 | 61.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 504 | S | 28.3 | Very low | 31.9 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -75 | 164.2 | 172.5 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 505 | A | 28.1 | Very low | 31.4 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | cis | -172.6 | -150.9 | -11.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 506 | Y | 27.6 | Very low | 31.6 | Very low | 221 Ų | 221 | 131.6 Ų | 131.6 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | 78.6 | 143.6 | 174 | -69.9 | -83.1 | 0 | 0 | 0 | 117.2 | ||||
| 507 | S | 27.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | cis | -160.1 | 162.7 | -6.4 | -157.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 508 | G | 28.4 | Very low | 31.6 | Very low | 61 Ų | 61 | 130.3 Ų | 130.3 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | 108.5 | 83.8 | 136.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 509 | D | 27.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 18.1 | 138.3 | 132.3 | -44.4 | -33.9 | 0 | 0 | 0 | 121.7 | ||||
| 510 | Y | 30.6 | Very low | 31.8 | Very low | 228 Ų | 228 | 133.7 Ų | 133.7 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | -169.9 | 172 | 98.2 | -97.6 | -63.5 | 0 | 0 | 0 | 112.9 | |||||
| 511 | M | 28.7 | Very low | 31.8 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -95.6 | 156.3 | -158.5 | -89.8 | -177.8 | 148.5 | 0 | 0 | 117.6 | ||||
| 512 | E | 31.2 | Very low | 31.3 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -90.9 | 154.7 | 166.4 | 178.1 | -178.9 | -156.9 | 0 | 0 | 111.8 | ||||
| 513 | P | 37.3 | Very low | 31.4 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -117.4 | 142.9 | 158.9 | 36 | -25.9 | 0 | 0 | 0 | 113.3 | ||||
| 514 | E | 27.3 | Very low | 31.6 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | trans | -100.6 | 151.9 | -163.5 | -50.3 | -165.9 | 114.5 | 0 | 0 | 117.8 | ||||
| 515 | K | 38.6 | Very low | 32.2 | Very low | 165 Ų | 165 | 136 Ų | 136 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | trans | 67 | 166.9 | 135.8 | -78.5 | 164.7 | -164.2 | 159.2 | 0 | 118.5 | ||||
| 516 | P | 37.2 | Very low | 32.1 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | cis | -113.8 | -166.7 | 11.8 | 42 | -29 | 0 | 0 | 0 | 114.6 | ||||
| 517 | G | 30.2 | Very low | 32.3 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -152.8 | -175.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 518 | A | 31.5 | Very low | 32.2 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 68.7 | 150.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 519 | P | 33.5 | Very low | 32 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | cis | -119.9 | -179.8 | 11 | 42 | -29.5 | 0 | 0 | 0 | 115.8 | ||||
| 520 | L | 38.8 | Very low | 32 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -82.2 | 133.5 | 175.5 | -70.7 | 158.8 | 0 | 0 | 0 | 112.7 | ||||
| 521 | L | 30.2 | Very low | 31.8 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -164.1 | 163.6 | 151.1 | -97.6 | 172.1 | 0 | 0 | 0 | 108.1 | ||||
| 522 | P | 39.6 | Very low | 31.7 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -100.1 | 154.1 | -149.8 | 37.2 | -38.2 | 0 | 0 | 0 | 117.1 | ||||
| 523 | P | 29.6 | Very low | 31.4 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -90.4 | 150.2 | 160.3 | 36 | -31.8 | 0 | 0 | 0 | 112.4 | ||||
| 524 | P | 31.1 | Very low | 30.8 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -103.2 | -164.4 | 177.5 | 45.3 | -39 | 0 | 0 | 0 | 111.8 | ||||
| 525 | P | 40.8 | Very low | 30.7 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | -82.3 | 147.5 | -124.8 | 38.7 | -26 | 0 | 0 | 0 | 115.1 | |||||
| 526 | Q | 25.8 | Very low | 30.1 | Very low | 190 Ų | 190 | 132.3 Ų | 132.3 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -136.4 | 136.5 | 163.7 | -70.4 | -168.2 | -16 | 0 | 0 | 112.2 | S528 | Q526-S528 PolarHBondContact O-N 2.8Å; Q526-S528 VanDerWaalsContact O-N 3.12Å | ||
| 527 | N | 32.8 | Very low | 29.7 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -38.4 | 100.6 | -172.4 | -58 | -18.2 | 0 | 0 | 0 | 116.3 | V529 | N527-V529 PolarHBondContact O-N 3.26Š| ||
| 528 | S | 26.1 | Very low | 29.6 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -72.5 | 103.1 | 150.9 | 58.2 | 0 | 0 | 0 | 0 | 109 | Q526 | Q526-S528 PolarHBondContact O-N 2.8Å; Q526-S528 VanDerWaalsContact O-N 3.12Å | ||
| 529 | V | 24.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61 | 128.5 | 166.6 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | N527 H531 | N527-V529 PolarHBondContact O-N 3.26Å; V529-H531 PolarHBondContact O-N 3.1Å |
| 530 | P | 26.8 | Very low | 29.3 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129 | 177.2 | -24.1 | 34.2 | 0 | 0 | 0 | 110.3 | Y532 | P530-Y532 PolarHBondContact O-N 3.36Š|
| 531 | H | 26.3 | Very low | 29 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 117 | 167.8 | -76.6 | -94.9 | 0 | 0 | 0 | 107.9 | V529 A533 | V529-H531 PolarHBondContact O-N 3.1Å; H531-A533 PolarHBondContact O-N 3.39Å |
| 532 | Y | 25.9 | Very low | 29.2 | Very low | 179 Ų | 179 | 119.8 Ų | 119.8 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138.5 | 174.7 | -93.1 | -99.5 | 0 | 0 | 0 | 109 | P530 | P530-Y532 PolarHBondContact O-N 3.36Š|
| 533 | A | 25.8 | Very low | 28.9 | Very low | 90 Ų | 90 | 115.4 Ų | 115.4 | 74% | 0.744 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 147.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H531 A535 | H531-A533 PolarHBondContact O-N 3.39Å; A533-A535 VanDerWaalsContact C-N 3.32Å; A533-A535 PolarHBondContact O-N 2.9Å |
| 534 | E | 24.8 | Very low | 28.9 | Very low | 198 Ų | 198 | 115.2 Ų | 115.2 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | trans | -58.5 | 97.5 | 163.1 | -68.7 | -177 | 111.3 | 0 | 0 | 108.8 | D536 | E534-D536 PolarHBondContact O-N 3.32Å; E534-D536 VanDerWaalsContact O-N 3.14Å | ||
| 535 | A | 25.1 | Very low | 29.1 | Very low | 71 Ų | 71 | 110.4 Ų | 110.4 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | trans | -65.9 | 112.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | A533 I537 | A533-A535 VanDerWaalsContact C-N 3.32Å; A533-A535 PolarHBondContact O-N 2.9Å; A535-I537 PolarHBondContact O-N 2.95Å | ||
| 536 | D | 25.3 | Very low | 29.1 | Very low | 127 Ų | 127 | 105.7 Ų | 105.7 | 68% | 0.679 | 60% | 0.598 | S | S | * | * | trans | -69.2 | 102.3 | 172.9 | -136.4 | -23.3 | 0 | 0 | 0 | 107.8 | E534 V538 R765 | E534-D536 PolarHBondContact O-N 3.32Å; E534-D536 VanDerWaalsContact O-N 3.14Å; D536-V538 WeakPolarHBondContact O-CG2 3.26Å; D536-V538 PolarHBondContact O-N 2.79Å; D536-R765 IonicContact OD1-CZ 3.13Å; D536-R765 IonicContact OD1-NH2 3.6Å; D536-R765 PolarHBondContact OD1-NH2 3.18Å | ||
| 537 | I | 29.5 | Very low | 29.9 | Very low | 58 Ų | 58 | 97.9 Ų | 97.9 | 30% | 0.297 | 56% | 0.562 | S | S | . | * | trans | -73.3 | 82.3 | -179.3 | -55.9 | 174.3 | 0 | 0 | 0 | 107.4 | A535 T539 L540 R765 | A535-I537 PolarHBondContact O-N 2.95Å; I537-T539 PolarHBondContact O-N 2.97Å; I537-T539 VanDerWaalsContact O-N 3.13Å; I537-L540 HydrophobicContact CG2-CD1 3.82Å; I537-L540 HydrophobicContact CG2-CG 4.41Å; I537-R765 WeakPolarHBondContact O-CD 3.37Å; I537-R765 PolarHBondContact O-NE 3.33Å | ||
| 538 | V | 27.3 | Very low | 30.7 | Very low | 115 Ų | 115 | 90.3 Ų | 90.3 | 70% | 0.697 | 52% | 0.522 | S | S | * | . | trans | -59.2 | 113.3 | -176.2 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | D536 L540 | D536-V538 WeakPolarHBondContact O-CG2 3.26Å; D536-V538 PolarHBondContact O-N 2.79Å; V538-L540 PolarHBondContact O-N 3.48Å | ||
| 539 | T | 29.1 | Very low | 31.5 | Very low | 115 Ų | 115 | 86 Ų | 86 | 71% | 0.706 | 49% | 0.488 | S | S | * | . | trans | 19.8 | 86.6 | 163.9 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | I537 Q541 | I537-T539 PolarHBondContact O-N 2.97Å; I537-T539 VanDerWaalsContact O-N 3.13Å; T539-Q541 PolarHBondContact O-N 3.35Å | ||
| 540 | L | 30.4 | Very low | 32.4 | Very low | 24 Ų | 24 | 81.4 Ų | 81.4 | 13% | 0.126 | 46% | 0.462 | C | S | . | . | trans | -64.3 | 86.8 | 172 | -75 | 145.8 | 0 | 0 | 0 | 112.1 | I537 V538 G542 V543 A766 L768 F783 | I537-L540 HydrophobicContact CG2-CD1 3.82Å; I537-L540 HydrophobicContact CG2-CG 4.41Å; V538-L540 PolarHBondContact O-N 3.48Å; L540-G542 PolarHBondContact O-N 3.33Å; L540-V543 HydrophobicContact CB-CG2 3.79Å; L540-A766 HydrophobicContact CB-CB 3.87Å; L540-A766 HydrophobicContact CD1-CB 4.14Å; L540-L768 HydrophobicContact CD1-CD1 3.76Å; L540-L768 HydrophobicContact CD1-CD2 4.1Å; L540-L768 HydrophobicContact CD1-CG 4.15Å; L540-L768 HydrophobicContact CD2-CD2 4.31Å; L540-F783 HydrophobicContact CD2-CE2 3.91Å; L540-F783 HydrophobicContact CD2-CZ 4.45Å | ||
| 541 | Q | 31.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 81.2 Ų | 81.2 | 82% | 0.818 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 94.2 | 169.7 | -77 | -168.6 | -16.3 | 0 | 0 | 110.4 | T539 R728 | T539-Q541 PolarHBondContact O-N 3.35Å; Q541-R728 PolarHBondContact O-NH1 3.03Å |
| 542 | G | 34.7 | Very low | 33.1 | Very low | 28 Ų | 28 | 73.5 Ų | 73.5 | 29% | 0.289 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 152.8 | -0.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L540 | L540-G542 PolarHBondContact O-N 3.33Š|
| 543 | V | 32.8 | Very low | 33.4 | Very low | 15 Ų | 15 | 69.9 Ų | 69.9 | 9% | 0.091 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -135.4 | 1.8 | -177.3 | -100.7 | 0 | 0 | 0 | 0 | 114.9 | L540 G545 A766 V767 L768 | L540-V543 HydrophobicContact CB-CG2 3.79Å; V543-G545 VanDerWaalsContact C-N 3.33Å; V543-G545 PolarHBondContact O-N 3.13Å; V543-A766 HydrophobicContact CB-CB 3.93Å; V543-A766 HydrophobicContact CG2-CB 3.45Å; V543-A766 VanDerWaalsContact CG2-CB 3.45Å; V543-V767 WeakPolarHBondContact CB-O 3.15Å; V543-V767 VanDerWaalsContact CG1-O 3.27Å; V543-V767 WeakPolarHBondContact CG1-O 3.19Å; V543-L768 HydrophobicContact CG2-CD2 4.01Å |
| 544 | T | 30.9 | Very low | 33.6 | Very low | 116 Ų | 116 | 69.4 Ų | 69.4 | 71% | 0.712 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -84.3 | 5.3 | 178 | 43.2 | 0 | 0 | 0 | 0 | 115.1 | A766 | T544-A766 HydrophobicContact CG2-CB 4.19Š|
| 545 | G | 35.3 | Very low | 33.7 | Very low | 18 Ų | 18 | 65.1 Ų | 65.1 | 19% | 0.186 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -175.3 | 123.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V543 N547 | V543-G545 VanDerWaalsContact C-N 3.33Å; V543-G545 PolarHBondContact O-N 3.13Å; G545-N547 VanDerWaalsContact C-N 3.25Å; G545-N547 PolarHBondContact O-N 2.87Å |
| 546 | G | 40.3 | Very low | 33.9 | Very low | 23 Ų | 23 | 67 Ų | 67 | 24% | 0.237 | 41% | 0.413 | C | S | . | . | S | Bend | trans | 68.5 | -56.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 547 | N | 42.8 | Very low | 34.2 | Very low | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.134 | 41% | 0.413 | C | S | . | . | trans | -113.1 | 159 | -161.5 | -48.3 | -0 | 0 | 0 | 0 | 109.6 | G545 D631 R752 | G545-N547 VanDerWaalsContact C-N 3.25Å; G545-N547 PolarHBondContact O-N 2.87Å; N547-D631 PolarHBondContact ND2-O 2.95Å; N547-R752 PolarHBondContact O-NH2 2.84Å | ||
| 548 | T | 48.3 | Very low | 34.2 | Very low | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.018 | 44% | 0.437 | C | S | . | . | trans | -124.6 | -19.3 | -177.1 | -32.6 | 0 | 0 | 0 | 0 | 113.1 | H727 R728 D729 D747 R752 | T548-H727 WeakPolarHBondContact CG2-O 3.34Å; T548-R728 HydrophobicContact CG2-CB 3.85Å; T548-R728 WeakPolarHBondContact O-CD 3.43Å; T548-R728 WeakPolarHBondContact O-CG 3.46Å; T548-D729 HydrophobicContact CG2-CB 3.31Å; T548-D747 WeakPolarHBondContact CA-OD2 3.32Å; T548-D747 WeakPolarHBondContact CB-OD1 3.49Å; T548-D747 WeakPolarHBondContact CB-OD2 3.46Å; T548-D747 PolarHBondContact N-OD2 3.48Å; T548-D747 PolarHBondContact OG1-OD1 3.38Å; T548-D747 PolarHBondContact OG1-OD2 3.27Å; T548-R752 PolarHBondContact OG1-NH2 3.42Å | ||
| 549 | Y | 44.7 | Very low | 34.7 | Very low | 22 Ų | 22 | 67.6 Ų | 67.6 | 9% | 0.086 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 141.6 | -178.2 | -61.3 | -41.6 | 0 | 0 | 0 | 116.5 | I638 F725 H727 D747 | Y549-I638 HydrophobicContact CD2-CD1 4.5Å; Y549-I638 HydrophobicContact CD2-CG2 3.8Å; Y549-I638 HydrophobicContact CE2-CG2 4.18Å; Y549-I638 HydrophobicContact CG-CG2 4.48Å; Y549-F725 VanDerWaalsContact CB-CZ 3.4Å; Y549-F725 HydrophobicContact CD1-CD1 4.5Å; Y549-F725 AromaticContact CD1-CE1 3.32Å; Y549-F725 HydrophobicContact CD1-CE1 3.32Å; Y549-F725 AromaticContact CD1-CZ 3.46Å; Y549-F725 HydrophobicContact CD1-CZ 3.46Å; Y549-F725 VanDerWaalsContact CD1-CZ 3.46Å; Y549-F725 HydrophobicContact CD2-CE1 4.41Å; Y549-F725 AromaticContact CD2-CZ 3.75Å; Y549-F725 HydrophobicContact CD2-CZ 3.75Å; Y549-F725 AromaticContact CE1-CE1 3.76Å; Y549-F725 HydrophobicContact CE1-CE1 3.76Å; Y549-F725 HydrophobicContact CE1-CZ 4.06Å; Y549-F725 HydrophobicContact CE2-CZ 4.29Å; Y549-F725 AromaticContact CG-CE1 3.69Å; Y549-F725 HydrophobicContact CG-CE1 3.69Å; Y549-F725 HydrophobicContact CG-CE2 4.26Å; Y549-F725 AromaticContact CG-CZ 3.27Å; Y549-F725 HydrophobicContact CG-CZ 3.27Å; Y549-H727 AromaticContact CE1-CE1 3.94Å; Y549-H727 AromaticContact CE1-NE2 3.9Å; Y549-D747 HydrophobicContact CD1-CB 4.35Å; Y549-D747 HydrophobicContact CD2-CB 4.25Å; Y549-D747 HydrophobicContact CE1-CB 3.66Å; Y549-D747 HydrophobicContact CE2-CB 3.56Å; Y549-D747 VanDerWaalsContact OH-CB 3.29Å; Y549-D747 WeakPolarHBondContact OH-CB 3.41Å; Y549-D747 PolarHBondContact OH-N 2.96Å |
| 550 | A | 42.8 | Very low | 35.1 | Very low | 17 Ų | 17 | 65.1 Ų | 65.1 | 14% | 0.14 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -103.1 | 128.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | F725 V726 | A550-F725 VanDerWaalsContact O-CD2 3.26Å; A550-F725 WeakPolarHBondContact O-CD2 3.5Å; A550-V726 HydrophobicContact CB-CB 3.92Å; A550-V726 PolarHBondContact N-O 3.34Å |
| 551 | V | 35.8 | Very low | 35.7 | Very low | 98 Ų | 98 | 68.4 Ų | 68.4 | 59% | 0.594 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 123.1 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | I638 | V551-I638 HydrophobicContact CG2-CD1 3.67Å; V551-I638 HydrophobicContact CG2-CG1 3.91Å |
| 552 | P | 32.4 | Very low | 36.3 | Very low | 26 Ų | 26 | 62.3 Ų | 62.3 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 154.5 | 172.3 | 29.4 | -30.5 | 0 | 0 | 0 | 112.4 | L554 L723 N724 | P552-L554 HydrophobicContact CG-CD1 4.38Å; P552-L723 WeakPolarHBondContact CG-O 3.25Å; P552-N724 HydrophobicContact CB-CB 3.66Å; P552-N724 WeakPolarHBondContact CB-O 3.03Å; P552-N724 HydrophobicContact CG-CB 3.97Å; P552-N724 WeakPolarHBondContact CG-O 3.37Å |
| 553 | A | 31.6 | Very low | 37.1 | Very low | 103 Ų | 103 | 64.1 Ų | 64.1 | 85% | 0.851 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 133 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 554 | L | 29.2 | Very low | 38.1 | Very low | 80 Ų | 80 | 65.1 Ų | 65.1 | 42% | 0.419 | 46% | 0.46 | S | S | . | . | trans | -115.5 | 150 | 179.4 | -78.9 | 115.3 | 0 | 0 | 0 | 112.2 | P552 R641 | P552-L554 HydrophobicContact CG-CD1 4.38Å; L554-R641 VanDerWaalsContact CD1-NH1 3.35Å | ||
| 555 | P | 28.4 | Very low | 39.6 | Very low | 109 Ų | 109 | 70.4 Ų | 70.4 | 71% | 0.708 | 47% | 0.466 | S | S | * | . | trans | -67.1 | 153.4 | 173.2 | -17 | 31 | 0 | 0 | 0 | 112.7 | G557 | P555-G557 PolarHBondContact O-N 2.99Š| ||
| 556 | P | 28.7 | Very low | 41.8 | Very low | 110 Ų | 110 | 73.6 Ų | 73.6 | 71% | 0.714 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 122.4 | 170.5 | 29.6 | -33.3 | 0 | 0 | 0 | 110.6 | ||
| 557 | G | 31.2 | Very low | 44.1 | Very low | 67 Ų | 67 | 74 Ų | 74 | 69% | 0.691 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.7 | -16.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | P555 V559 | P555-G557 PolarHBondContact O-N 2.99Å; G557-V559 PolarHBondContact O-N 3.34Å |
| 558 | A | 30.1 | Very low | 46.4 | Very low | 95 Ų | 95 | 73 Ų | 73 | 79% | 0.785 | 47% | 0.473 | S | S | * | . | trans | -74 | 86 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 559 | V | 37.1 | Very low | 48.5 | Very low | 151 Ų | 151 | 74.9 Ų | 74.9 | 92% | 0.915 | 49% | 0.486 | S | S | * | . | trans | -71.4 | 125.1 | 173.7 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | G557 | G557-V559 PolarHBondContact O-N 3.34Š| ||
| 560 | G | 37.4 | Very low | 50.7 | Low | 62 Ų | 62 | 77.6 Ų | 77.6 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 164.1 | -85.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 561 | D | 42.6 | Very low | 53.1 | Low | 93 Ų | 93 | 81.9 Ų | 81.9 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | trans | -105.1 | 103.4 | -159.3 | -71.9 | -50.3 | 0 | 0 | 0 | 114.8 | K643 | D561-K643 IonicContact OD1-NZ 3.24Å; D561-K643 PolarHBondContact OD1-NZ 3.19Å; D561-K643 WeakPolarHBondContact OD2-CE 3.44Å; D561-K643 IonicContact OD2-NZ 2.7Å; D561-K643 PolarHBondContact OD2-NZ 3.1Å | ||
| 562 | G | 45.1 | Very low | 55.8 | Low | 48 Ų | 48 | 80.3 Ų | 80.3 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | trans | -87.9 | -178.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 563 | P | 50.8 | Low | 58.8 | Low | 66 Ų | 66 | 80.5 Ų | 80.5 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -61.5 | 160.7 | 165.5 | 29.7 | -35.5 | 0 | 0 | 0 | 111 | R565 | P563-R565 PolarHBondContact O-N 3.28Š|
| 564 | P | 54.6 | Low | 61.9 | Low | 36 Ų | 36 | 81.7 Ų | 81.7 | 23% | 0.234 | 49% | 0.49 | C | S | . | . | trans | -49.9 | 134.7 | 178.4 | -28 | 36 | 0 | 0 | 0 | 112.1 | V566 V653 | P564-V566 PolarHBondContact O-N 3.38Å; P564-V653 HydrophobicContact CB-CG2 4.19Å; P564-V653 HydrophobicContact CG-CG2 4.07Å | ||
| 565 | R | 62.8 | Low | 65.1 | Low | 226 Ų | 226 | 83.1 Ų | 83.1 | 85% | 0.853 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -75.4 | -15.9 | -174.4 | -69.3 | -178.3 | 173.8 | -169.7 | -0.9 | 113.3 | P563 | P563-R565 PolarHBondContact O-N 3.28Š|
| 566 | V | 80.6 | Confident | 68.2 | Low | 85 Ų | 85 | 82.7 Ų | 82.7 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -135.8 | 140.6 | -177.8 | -168 | 0 | 0 | 0 | 0 | 107.8 | P564 | P564-V566 PolarHBondContact O-N 3.38Š|
| 567 | D | 88.3 | Confident | 71.2 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 18% | 0.176 | 47% | 0.468 | C | S | . | . | trans | -66.1 | 142.3 | 171.9 | -97.1 | 16.6 | 0 | 0 | 0 | 110.7 | V653 C654 V655 Q656 | D567-V653 CarbonylContact C-O 3.3Å; D567-V653 WeakPolarHBondContact CA-O 3.38Å; D567-C654 WeakPolarHBondContact OD2-CA 3.02Å; D567-V655 WeakPolarHBondContact OD1-CG2 3.42Å; D567-V655 PolarHBondContact OD1-N 3.02Å; D567-V655 PolarHBondContact OD2-N 3.47Å; D567-Q656 HydrophobicContact CB-CG 4.33Å; D567-Q656 PolarHBondContact OD2-N 3.07Å | ||
| 568 | F | 92 | Very high | 74 | Confident | 3 Ų | 3 | 83.1 Ų | 83.1 | 1% | 0.013 | 45% | 0.454 | C | S | . | . | trans | -61.4 | 135.6 | 168.2 | -169.4 | -84.1 | 0 | 0 | 0 | 109.2 | R570 R572 L573 V592 L598 F603 L605 V653 C654 I663 | F568-R570 PolarHBondContact O-N 3.28Å; F568-R572 HydrophobicContact CE1-CB 4.36Å; F568-L573 HydrophobicContact CD1-CD1 4.18Å; F568-L573 HydrophobicContact CD1-CD2 4.05Å; F568-L573 HydrophobicContact CD1-CG 4Å; F568-L573 HydrophobicContact CE1-CD1 4.43Å; F568-L573 HydrophobicContact CE1-CD2 3.52Å; F568-L573 HydrophobicContact CE1-CG 3.77Å; F568-L573 HydrophobicContact CZ-CD2 4.24Å; F568-V592 HydrophobicContact CZ-CG1 3.87Å; F568-V592 HydrophobicContact CZ-CG2 4.17Å; F568-L598 HydrophobicContact CE1-CD1 4.39Å; F568-L598 HydrophobicContact CE2-CD1 4.12Å; F568-L598 HydrophobicContact CZ-CD1 3.7Å; F568-F603 HydrophobicContact CB-CE1 4.03Å; F568-F603 HydrophobicContact CB-CZ 4.44Å; F568-F603 AromaticContact CD2-CD1 3.77Å; F568-F603 HydrophobicContact CD2-CD1 3.77Å; F568-F603 HydrophobicContact CD2-CE1 4.01Å; F568-F603 HydrophobicContact CD2-CG 4.1Å; F568-F603 HydrophobicContact CE2-CG 4.49Å; F568-F603 HydrophobicContact CG-CE1 4.49Å; F568-L605 HydrophobicContact CE2-CD1 4.31Å; F568-L605 HydrophobicContact CE2-CD2 4.36Å; F568-V653 WeakPolarHBondContact CB-O 3.34Å; F568-V653 PolarHBondContact N-O 3.08Å; F568-C654 PolarHBondContact O-SG 3.48Å; F568-I663 HydrophobicContact CB-CD1 3.88Å; F568-I663 HydrophobicContact CD1-CD1 4.41Å; F568-I663 HydrophobicContact CG-CD1 4.13Å | ||
| 569 | P | 92 | Very high | 76.5 | Confident | 43 Ų | 43 | 81.7 Ų | 81.7 | 28% | 0.279 | 43% | 0.432 | S | S | . | . | trans | -67.3 | 97.7 | -177.3 | 26.2 | -34.5 | 0 | 0 | 0 | 111 | S571 R572 L598 | P569-S571 PolarHBondContact O-N 3.4Å; P569-R572 HydrophobicContact CB-CG 4.05Å; P569-R572 HydrophobicContact CG-CB 4.29Å; P569-R572 HydrophobicContact CG-CG 3.82Å; P569-R572 WeakPolarHBondContact O-CB 3.23Å; P569-R572 PolarHBondContact O-N 2.83Å; P569-L598 HydrophobicContact CG-CD1 4.1Å; P569-L598 HydrophobicContact CG-CD2 3.78Å | ||
| 570 | R | 92.1 | Very high | 78.5 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -49.7 | -35 | -176.6 | -170.9 | -171.4 | -64.1 | -82.1 | 5.7 | 113.5 | F568 R572 L573 D657 P659 C661 | F568-R570 PolarHBondContact O-N 3.28Å; R570-R572 PolarHBondContact O-N 2.93Å; R570-L573 WeakPolarHBondContact O-CB 3.3Å; R570-L573 PolarHBondContact O-N 3.07Å; R570-L573 VanDerWaalsContact O-N 3.1Å; R570-D657 PolarHBondContact NH2-O 3.15Å; R570-P659 VanDerWaalsContact CZ-O 3.23Å; R570-P659 PolarHBondContact NH1-O 3.36Å; R570-P659 PolarHBondContact NH2-O 3.09Å; R570-C661 PolarHBondContact NH1-SG 2.94Å |
| 571 | S | 92.1 | Very high | 80.3 | Confident | 108 Ų | 108 | 77 Ų | 77 | 76% | 0.755 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -66.4 | -12.4 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 115.1 | P569 | P569-S571 PolarHBondContact O-N 3.4Š|
| 572 | R | 93.1 | Very high | 81.5 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 24% | 0.242 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -89.5 | -6.6 | 172.4 | -61.7 | -65.6 | -161.4 | 96.5 | -4.9 | 113.3 | F568 P569 R570 R574 V592 D593 S594 D597 L598 | F568-R572 HydrophobicContact CE1-CB 4.36Å; P569-R572 HydrophobicContact CB-CG 4.05Å; P569-R572 HydrophobicContact CG-CB 4.29Å; P569-R572 HydrophobicContact CG-CG 3.82Å; P569-R572 WeakPolarHBondContact O-CB 3.23Å; P569-R572 PolarHBondContact O-N 2.83Å; R570-R572 PolarHBondContact O-N 2.93Å; R572-R574 PolarHBondContact O-N 3.17Å; R572-V592 WeakPolarHBondContact O-CA 3.32Å; R572-D593 WeakPolarHBondContact CD-O 3.13Å; R572-D593 PolarHBondContact NH1-O 2.88Å; R572-D593 PolarHBondContact O-N 3.36Å; R572-S594 PolarHBondContact NH1-O 2.77Å; R572-D597 IonicContact CZ-OD2 2.76Å; R572-D597 IonicContact NH1-OD2 2.76Å; R572-D597 PolarHBondContact NH1-OD2 2.83Å; R572-D597 VanDerWaalsContact NH1-OD2 3.13Å; R572-D597 IonicContact NH2-OD2 2.78Å; R572-D597 PolarHBondContact NH2-OD2 3.47Å; R572-L598 HydrophobicContact CB-CD1 4.25Å; R572-L598 HydrophobicContact CG-CD1 4.19Å |
| 573 | L | 95.3 | Very high | 82.4 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 100.5 | 179 | -64 | 174.2 | 0 | 0 | 0 | 110.6 | F568 R570 C590 V592 V615 V617 I663 | F568-L573 HydrophobicContact CD1-CD1 4.18Å; F568-L573 HydrophobicContact CD1-CD2 4.05Å; F568-L573 HydrophobicContact CD1-CG 4Å; F568-L573 HydrophobicContact CE1-CD1 4.43Å; F568-L573 HydrophobicContact CE1-CD2 3.52Å; F568-L573 HydrophobicContact CE1-CG 3.77Å; F568-L573 HydrophobicContact CZ-CD2 4.24Å; R570-L573 WeakPolarHBondContact O-CB 3.3Å; R570-L573 PolarHBondContact O-N 3.07Å; R570-L573 VanDerWaalsContact O-N 3.1Å; L573-C590 HydrophobicContact CB-CB 4.4Å; L573-C590 HydrophobicContact CD2-CB 4.33Å; L573-V592 HydrophobicContact CD2-CG2 4.31Å; L573-V615 HydrophobicContact CD2-CG2 4.05Å; L573-V617 HydrophobicContact CD1-CG1 4.42Å; L573-V617 HydrophobicContact CD1-CG2 4.37Å; L573-V617 HydrophobicContact CD2-CG2 4.27Å; L573-I663 HydrophobicContact CD1-CD1 4.34Å; L573-I663 HydrophobicContact CD1-CG1 4.07Å; L573-I663 HydrophobicContact CD2-CG1 4.32Å |
| 574 | R | 96 | Very high | 83.3 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 104.3 | 177.5 | -179.9 | -176.4 | -62.6 | -90.3 | -7.6 | 110.1 | R572 C590 E591 D593 | R572-R574 PolarHBondContact O-N 3.17Å; R574-C590 CarbonylContact O-C 3.6Å; R574-C590 VanDerWaalsContact O-CA 3.28Å; R574-C590 WeakPolarHBondContact O-CA 3.42Å; R574-E591 HydrophobicContact CB-CB 4.39Å; R574-E591 WeakPolarHBondContact CB-O 3.45Å; R574-E591 PolarHBondContact N-O 2.94Å; R574-E591 PolarHBondContact O-N 2.9Å; R574-D593 IonicContact CZ-OD1 3.64Å; R574-D593 IonicContact CZ-OD2 3.93Å; R574-D593 IonicContact NE-OD1 3.73Å; R574-D593 PolarHBondContact NE-OD1 3.42Å; R574-D593 IonicContact NE-OD2 2.73Å; R574-D593 VanDerWaalsContact NH2-CG 3.33Å; R574-D593 IonicContact NH2-OD1 3.75Å; R574-D593 PolarHBondContact NH2-OD1 3.47Å; R574-D593 VanDerWaalsContact NH2-OD1 3.16Å; R574-D593 IonicContact NH2-OD2 2.72Å; R574-D593 PolarHBondContact NH2-OD2 2.86Å |
| 575 | F | 96.3 | Very high | 84.5 | Confident | 110 Ų | 110 | 75.4 Ų | 75.4 | 48% | 0.482 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 139.5 | 174.4 | 176.2 | -95.5 | 0 | 0 | 0 | 112.4 | E577 H588 | F575-E577 VanDerWaalsContact CE2-C 3.46Å; F575-E577 VanDerWaalsContact CE2-O 3.32Å; F575-E577 WeakPolarHBondContact CE2-O 3.35Å; F575-E577 VanDerWaalsContact CZ-C 3.46Å; F575-E577 VanDerWaalsContact CZ-CA 3.48Å; F575-H588 HydrophobicContact CD2-CB 3.84Å; F575-H588 AromaticContact CD2-CE1 4Å; F575-H588 AromaticContact CD2-CG 3.63Å; F575-H588 AromaticContact CD2-ND1 3.35Å; F575-H588 VanDerWaalsContact CD2-ND1 3.35Å; F575-H588 WeakPolarHBondContact CD2-ND1 3.39Å; F575-H588 HydrophobicContact CE2-CB 3.95Å; F575-H588 AromaticContact CE2-CD2 3.85Å; F575-H588 AromaticContact CE2-CE1 3.84Å; F575-H588 AromaticContact CE2-CG 3.52Å; F575-H588 AromaticContact CE2-ND1 3.52Å |
| 576 | K | 95.1 | Very high | 85.5 | Confident | 101 Ų | 101 | 67 Ų | 67 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -60 | 172.1 | -64.5 | -70 | -176.2 | 169.8 | 0 | 111 | L589 E591 | K576-L589 HydrophobicContact CB-CB 4.27Å; K576-L589 HydrophobicContact CB-CD2 4.29Å; K576-L589 HydrophobicContact CB-CG 4.13Å; K576-L589 WeakPolarHBondContact CB-O 3.49Å; K576-L589 HydrophobicContact CG-CG 4.41Å; K576-L589 PolarHBondContact N-O 2.91Å; K576-E591 VanDerWaalsContact CE-CB 3.44Å; K576-E591 WeakPolarHBondContact CE-OE2 3.29Å; K576-E591 IonicContact NZ-OE2 2.7Å; K576-E591 PolarHBondContact NZ-OE2 2.73Å |
| 577 | E | 91.2 | Very high | 85.9 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 168.8 | -173.8 | 59.6 | -178.3 | -175.4 | 0 | 0 | 111.2 | F575 H588 L589 | F575-E577 VanDerWaalsContact CE2-C 3.46Å; F575-E577 VanDerWaalsContact CE2-O 3.32Å; F575-E577 WeakPolarHBondContact CE2-O 3.35Å; F575-E577 VanDerWaalsContact CZ-C 3.46Å; F575-E577 VanDerWaalsContact CZ-CA 3.48Å; E577-H588 CarbonylContact O-C 3.54Å; E577-H588 WeakPolarHBondContact O-CA 3.23Å; E577-L589 HydrophobicContact CG-CB 3.74Å; E577-L589 HydrophobicContact CG-CD2 3.96Å; E577-L589 HydrophobicContact CG-CG 4.44Å; E577-L589 PolarHBondContact O-N 2.77Å; E577-L589 WeakPolarHBondContact OE1-CD2 3.38Å |
| 578 | K | 89 | Confident | 86.1 | Confident | 87 Ų | 87 | 63 Ų | 63 | 38% | 0.378 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 110.9 | 179 | 177.9 | 172.4 | 168.5 | 178.6 | 0 | 109.2 | E581 E586 V587 | K578-E581 IonicContact NZ-OE2 3.51Å; K578-E581 PolarHBondContact NZ-OE2 3.15Å; K578-E586 VanDerWaalsContact CE-CD 3.45Å; K578-E586 WeakPolarHBondContact CE-OE1 3.43Å; K578-E586 VanDerWaalsContact NZ-CD 3.25Å; K578-E586 IonicContact NZ-OE1 3.67Å; K578-E586 PolarHBondContact NZ-OE1 3.08Å; K578-E586 IonicContact NZ-OE2 3.61Å; K578-V587 CarbonylContact C-O 3.57Å |
| 579 | L | 83.8 | Confident | 86.2 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 34% | 0.335 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -22.3 | -179.6 | -63.7 | 174.7 | 0 | 0 | 0 | 112.6 | V587 L589 A616 Y666 | L579-V587 HydrophobicContact CB-CB 4.49Å; L579-V587 HydrophobicContact CB-CG1 4.19Å; L579-V587 HydrophobicContact CD1-CG1 4.19Å; L579-V587 PolarHBondContact N-O 2.92Å; L579-L589 HydrophobicContact CD1-CB 3.98Å; L579-L589 HydrophobicContact CD2-CB 4.12Å; L579-L589 HydrophobicContact CG-CB 3.93Å; L579-A616 HydrophobicContact CD1-CB 4.26Å; L579-Y666 HydrophobicContact CD1-CD2 4.04Å; L579-Y666 HydrophobicContact CD1-CE2 3.79Å; L579-Y666 HydrophobicContact CD2-CE2 4.09Å |
| 580 | G | 77.5 | Confident | 86.3 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 19% | 0.186 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | 177 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | V587 M750 | G580-V587 PolarHBondContact N-O 3.43Å; G580-V587 PolarHBondContact O-N 3.31Å; G580-M750 VanDerWaalsContact CA-SD 3.56Å |
| 581 | E | 75.6 | Confident | 86.5 | Confident | 98 Ų | 98 | 60 Ų | 60 | 46% | 0.458 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 129.5 | -180 | -172.2 | 170.7 | 164.7 | 0 | 0 | 110.7 | K578 E586 N753 | K578-E581 IonicContact NZ-OE2 3.51Å; K578-E581 PolarHBondContact NZ-OE2 3.15Å; E581-E586 HydrophobicContact CG-CG 4.48Å; E581-N753 PolarHBondContact O-ND2 3.04Å |
| 582 | G | 67.8 | Low | 86.6 | Confident | 13 Ų | 13 | 55 Ų | 55 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 169.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F584 G585 | G582-F584 PolarHBondContact O-N 3.39Å; G582-G585 CarbonylContact C-O 3.58Å; G582-G585 PolarHBondContact N-O 3.34Å; G582-G585 PolarHBondContact O-N 2.75Å |
| 583 | Q | 65.5 | Low | 86.5 | Confident | 133 Ų | 133 | 54 Ų | 54 | 62% | 0.621 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -31.5 | -173.3 | -170.2 | 178.7 | 7.2 | 0 | 0 | 115 | R621 | Q583-R621 PolarHBondContact O-NH2 3.05Š|
| 584 | F | 68.1 | Low | 86.1 | Confident | 49 Ų | 49 | 55.9 Ų | 55.9 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 2.9 | -174.1 | -50.7 | -68.9 | 0 | 0 | 0 | 114.6 | G582 L620 R621 A628 | G582-F584 PolarHBondContact O-N 3.39Å; F584-L620 HydrophobicContact CB-CD1 4.27Å; F584-L620 WeakPolarHBondContact O-CD1 3.21Å; F584-R621 PolarHBondContact O-N 3.1Å; F584-A628 HydrophobicContact CB-CB 3.83Å; F584-A628 HydrophobicContact CD1-CB 3.78Å; F584-A628 HydrophobicContact CD2-CB 4.08Å; F584-A628 HydrophobicContact CE1-CB 4.36Å; F584-A628 HydrophobicContact CG-CB 3.61Å |
| 585 | G | 79.6 | Confident | 85.7 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 167.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G582 I619 | G582-G585 CarbonylContact C-O 3.58Å; G582-G585 PolarHBondContact N-O 3.34Å; G582-G585 PolarHBondContact O-N 2.75Å; G585-I619 CarbonylContact C-O 3.54Å; G585-I619 WeakPolarHBondContact CA-O 3.49Å |
| 586 | E | 85.4 | Confident | 85.1 | Confident | 49 Ų | 49 | 50.1 Ų | 50.1 | 23% | 0.229 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 162 | 177.1 | -55.3 | -168.5 | 160.2 | 0 | 0 | 110.1 | K578 E581 H588 K618 I619 | K578-E586 VanDerWaalsContact CE-CD 3.45Å; K578-E586 WeakPolarHBondContact CE-OE1 3.43Å; K578-E586 VanDerWaalsContact NZ-CD 3.25Å; K578-E586 IonicContact NZ-OE1 3.67Å; K578-E586 PolarHBondContact NZ-OE1 3.08Å; K578-E586 IonicContact NZ-OE2 3.61Å; E581-E586 HydrophobicContact CG-CG 4.48Å; E586-H588 IonicContact OE2-CD2 2.73Å; E586-H588 IonicContact OE2-CE1 3.43Å; E586-H588 IonicContact OE2-NE2 3.51Å; E586-H588 PolarHBondContact OE2-NE2 2.8Å; E586-K618 CarbonylContact O-C 3.54Å; E586-K618 WeakPolarHBondContact O-CA 3.36Å; E586-I619 PolarHBondContact N-O 3.18Å; E586-I619 PolarHBondContact O-N 3.21Å |
| 587 | V | 88.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128 | 162.5 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | K578 L579 G580 A616 V617 K618 F748 M750 | K578-V587 CarbonylContact C-O 3.57Å; L579-V587 HydrophobicContact CB-CB 4.49Å; L579-V587 HydrophobicContact CB-CG1 4.19Å; L579-V587 HydrophobicContact CD1-CG1 4.19Å; L579-V587 PolarHBondContact N-O 2.92Å; G580-V587 PolarHBondContact N-O 3.43Å; G580-V587 PolarHBondContact O-N 3.31Å; V587-A616 HydrophobicContact CG1-CB 4.25Å; V587-V617 WeakPolarHBondContact CA-O 3.49Å; V587-K618 HydrophobicContact CG2-CB 4.01Å; V587-K618 HydrophobicContact CG2-CG 3.83Å; V587-F748 HydrophobicContact CG2-CD1 3.98Å; V587-M750 HydrophobicContact CB-CE 3.81Å; V587-M750 HydrophobicContact CB-SD 3.53Å; V587-M750 VanDerWaalsContact CB-SD 3.53Å; V587-M750 HydrophobicContact CG1-CE 4.34Å; V587-M750 HydrophobicContact CG2-CE 3.66Å; V587-M750 HydrophobicContact CG2-CG 4.29Å; V587-M750 HydrophobicContact CG2-SD 3.31Å; V587-M750 WeakPolarHBondContact CG2-SD 3.47Å |
| 588 | H | 91.6 | Very high | 84.2 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.9 | 178.6 | -64.9 | 178.1 | 0 | 0 | 0 | 110.7 | F575 E577 E586 V617 I619 | F575-H588 HydrophobicContact CD2-CB 3.84Å; F575-H588 AromaticContact CD2-CE1 4Å; F575-H588 AromaticContact CD2-CG 3.63Å; F575-H588 AromaticContact CD2-ND1 3.35Å; F575-H588 VanDerWaalsContact CD2-ND1 3.35Å; F575-H588 WeakPolarHBondContact CD2-ND1 3.39Å; F575-H588 HydrophobicContact CE2-CB 3.95Å; F575-H588 AromaticContact CE2-CD2 3.85Å; F575-H588 AromaticContact CE2-CE1 3.84Å; F575-H588 AromaticContact CE2-CG 3.52Å; F575-H588 AromaticContact CE2-ND1 3.52Å; E577-H588 CarbonylContact O-C 3.54Å; E577-H588 WeakPolarHBondContact O-CA 3.23Å; E586-H588 IonicContact OE2-CD2 2.73Å; E586-H588 IonicContact OE2-CE1 3.43Å; E586-H588 IonicContact OE2-NE2 3.51Å; E586-H588 PolarHBondContact OE2-NE2 2.8Å; H588-V617 PolarHBondContact N-O 3.11Å; H588-V617 PolarHBondContact O-N 2.82Å; H588-I619 VanDerWaalsContact ND1-CD1 3.35Å; H588-I619 WeakPolarHBondContact ND1-CD1 3.44Å |
| 589 | L | 94.1 | Very high | 83.9 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.9 | 160 | -178.2 | 58.2 | 0 | 0 | 0 | 108 | K576 E577 L579 L614 Y666 | K576-L589 HydrophobicContact CB-CB 4.27Å; K576-L589 HydrophobicContact CB-CD2 4.29Å; K576-L589 HydrophobicContact CB-CG 4.13Å; K576-L589 WeakPolarHBondContact CB-O 3.49Å; K576-L589 HydrophobicContact CG-CG 4.41Å; K576-L589 PolarHBondContact N-O 2.91Å; E577-L589 HydrophobicContact CG-CB 3.74Å; E577-L589 HydrophobicContact CG-CD2 3.96Å; E577-L589 HydrophobicContact CG-CG 4.44Å; E577-L589 PolarHBondContact O-N 2.77Å; E577-L589 WeakPolarHBondContact OE1-CD2 3.38Å; L579-L589 HydrophobicContact CD1-CB 3.98Å; L579-L589 HydrophobicContact CD2-CB 4.12Å; L579-L589 HydrophobicContact CG-CB 3.93Å; L589-L614 HydrophobicContact CD1-CB 4.07Å; L589-L614 HydrophobicContact CD1-CD2 4.32Å; L589-L614 HydrophobicContact CG-CD2 4.5Å; L589-Y666 HydrophobicContact CD1-CD1 3.89Å; L589-Y666 HydrophobicContact CD1-CD2 3.56Å; L589-Y666 HydrophobicContact CD1-CE1 4.05Å; L589-Y666 HydrophobicContact CD1-CE2 3.74Å; L589-Y666 HydrophobicContact CD1-CG 3.65Å; L589-Y666 HydrophobicContact CD2-CE1 4.45Å |
| 590 | C | 95.8 | Very high | 83.7 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.9 | 174.3 | -67.5 | 0 | 0 | 0 | 0 | 110.9 | L573 R574 L614 V615 V617 | L573-C590 HydrophobicContact CB-CB 4.4Å; L573-C590 HydrophobicContact CD2-CB 4.33Å; R574-C590 CarbonylContact O-C 3.6Å; R574-C590 VanDerWaalsContact O-CA 3.28Å; R574-C590 WeakPolarHBondContact O-CA 3.42Å; C590-L614 WeakPolarHBondContact O-CA 3.29Å; C590-V615 HydrophobicContact CB-CG2 4.03Å; C590-V615 PolarHBondContact N-O 3.48Å; C590-V615 PolarHBondContact O-N 2.94Å; C590-V617 HydrophobicContact CB-CG2 3.86Å |
| 591 | E | 95.3 | Very high | 83.1 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.3 | 160.8 | 179 | 176.4 | -166.1 | 0 | 0 | 109 | R574 K576 P612 L613 L614 | R574-E591 HydrophobicContact CB-CB 4.39Å; R574-E591 WeakPolarHBondContact CB-O 3.45Å; R574-E591 PolarHBondContact N-O 2.94Å; R574-E591 PolarHBondContact O-N 2.9Å; K576-E591 VanDerWaalsContact CE-CB 3.44Å; K576-E591 WeakPolarHBondContact CE-OE2 3.29Å; K576-E591 IonicContact NZ-OE2 2.7Å; K576-E591 PolarHBondContact NZ-OE2 2.73Å; E591-P612 HydrophobicContact CG-CB 4.15Å; E591-P612 VanDerWaalsContact OE1-CB 3.25Å; E591-P612 WeakPolarHBondContact OE1-CB 3.45Å; E591-L613 CarbonylContact C-O 3.57Å; E591-L613 WeakPolarHBondContact CA-O 3.44Å; E591-L614 HydrophobicContact CB-CD2 4.22Å |
| 592 | V | 94.4 | Very high | 83 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 116.7 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | F568 R572 L573 P595 L598 L613 V615 | F568-V592 HydrophobicContact CZ-CG1 3.87Å; F568-V592 HydrophobicContact CZ-CG2 4.17Å; R572-V592 WeakPolarHBondContact O-CA 3.32Å; L573-V592 HydrophobicContact CD2-CG2 4.31Å; V592-P595 HydrophobicContact CB-CB 4.18Å; V592-P595 HydrophobicContact CG1-CB 3.85Å; V592-P595 WeakPolarHBondContact O-CD 3.46Å; V592-L598 HydrophobicContact CG1-CD1 3.74Å; V592-L613 HydrophobicContact CB-CB 4.26Å; V592-L613 HydrophobicContact CB-CD2 4.03Å; V592-L613 HydrophobicContact CB-CG 4.34Å; V592-L613 HydrophobicContact CG1-CD2 4.48Å; V592-L613 HydrophobicContact CG2-CD2 3.95Å; V592-L613 HydrophobicContact CG2-CG 4.2Å; V592-L613 PolarHBondContact N-O 2.84Å; V592-V615 HydrophobicContact CG2-CG1 3.94Å; V592-V615 HydrophobicContact CG2-CG2 3.8Å |
| 593 | D | 91.6 | Very high | 83.7 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -68.1 | 132.3 | 175.5 | -81.4 | -1.3 | 0 | 0 | 0 | 111.4 | R572 R574 | R572-D593 WeakPolarHBondContact CD-O 3.13Å; R572-D593 PolarHBondContact NH1-O 2.88Å; R572-D593 PolarHBondContact O-N 3.36Å; R574-D593 IonicContact CZ-OD1 3.64Å; R574-D593 IonicContact CZ-OD2 3.93Å; R574-D593 IonicContact NE-OD1 3.73Å; R574-D593 PolarHBondContact NE-OD1 3.42Å; R574-D593 IonicContact NE-OD2 2.73Å; R574-D593 VanDerWaalsContact NH2-CG 3.33Å; R574-D593 IonicContact NH2-OD1 3.75Å; R574-D593 PolarHBondContact NH2-OD1 3.47Å; R574-D593 VanDerWaalsContact NH2-OD1 3.16Å; R574-D593 IonicContact NH2-OD2 2.72Å; R574-D593 PolarHBondContact NH2-OD2 2.86Å |
| 594 | S | 87.1 | Confident | 84.5 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 40.9 | 60.7 | -178.5 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | R572 Q596 D597 | R572-S594 PolarHBondContact NH1-O 2.77Å; S594-Q596 PolarHBondContact O-N 2.82Å; S594-Q596 VanDerWaalsContact O-N 3.16Å; S594-D597 VanDerWaalsContact CB-OD2 3.31Å; S594-D597 WeakPolarHBondContact CB-OD2 3.32Å; S594-D597 PolarHBondContact O-N 2.79Å |
| 595 | P | 86 | Confident | 85.2 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -69.1 | -17.4 | -168.2 | 29.7 | -35.9 | 0 | 0 | 0 | 113.4 | V592 D597 L598 V599 V607 L613 | V592-P595 HydrophobicContact CB-CB 4.18Å; V592-P595 HydrophobicContact CG1-CB 3.85Å; V592-P595 WeakPolarHBondContact O-CD 3.46Å; P595-D597 PolarHBondContact O-N 2.84Å; P595-L598 PolarHBondContact O-N 3.38Å; P595-L598 VanDerWaalsContact O-N 3.16Å; P595-V599 WeakPolarHBondContact O-CG2 3.44Å; P595-V607 HydrophobicContact CB-CG1 4.45Å; P595-V607 HydrophobicContact CB-CG2 3.91Å; P595-V607 HydrophobicContact CG-CG1 3.93Å; P595-V607 HydrophobicContact CG-CG2 4.29Å; P595-L613 HydrophobicContact CB-CB 4.02Å; P595-L613 HydrophobicContact CB-CD2 3.72Å; P595-L613 HydrophobicContact CG-CB 3.98Å |
| 596 | Q | 84 | Confident | 85.4 | Confident | 106 Ų | 106 | 51.3 Ų | 51.3 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -61.1 | -32.4 | 176.5 | -62.3 | 76.9 | 16.4 | 0 | 0 | 112.1 | S594 L598 V607 | S594-Q596 PolarHBondContact O-N 2.82Å; S594-Q596 VanDerWaalsContact O-N 3.16Å; Q596-L598 PolarHBondContact O-N 3.49Å; Q596-V607 HydrophobicContact CG-CG1 4.09Å |
| 597 | D | 84.3 | Confident | 85.3 | Confident | 107 Ų | 107 | 50.7 Ų | 50.7 | 57% | 0.572 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -68.1 | -19.9 | 178.9 | -50.2 | -25.8 | 0 | 0 | 0 | 112.9 | R572 S594 P595 | R572-D597 IonicContact CZ-OD2 2.76Å; R572-D597 IonicContact NH1-OD2 2.76Å; R572-D597 PolarHBondContact NH1-OD2 2.83Å; R572-D597 VanDerWaalsContact NH1-OD2 3.13Å; R572-D597 IonicContact NH2-OD2 2.78Å; R572-D597 PolarHBondContact NH2-OD2 3.47Å; S594-D597 VanDerWaalsContact CB-OD2 3.31Å; S594-D597 WeakPolarHBondContact CB-OD2 3.32Å; S594-D597 PolarHBondContact O-N 2.79Å; P595-D597 PolarHBondContact O-N 2.84Å |
| 598 | L | 83 | Confident | 85 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -102.8 | -14.8 | -169 | -54.5 | -178.8 | 0 | 0 | 0 | 112.9 | F568 P569 R572 V592 P595 Q596 S600 L605 | F568-L598 HydrophobicContact CE1-CD1 4.39Å; F568-L598 HydrophobicContact CE2-CD1 4.12Å; F568-L598 HydrophobicContact CZ-CD1 3.7Å; P569-L598 HydrophobicContact CG-CD1 4.1Å; P569-L598 HydrophobicContact CG-CD2 3.78Å; R572-L598 HydrophobicContact CB-CD1 4.25Å; R572-L598 HydrophobicContact CG-CD1 4.19Å; V592-L598 HydrophobicContact CG1-CD1 3.74Å; P595-L598 PolarHBondContact O-N 3.38Å; P595-L598 VanDerWaalsContact O-N 3.16Å; Q596-L598 PolarHBondContact O-N 3.49Å; L598-S600 WeakPolarHBondContact O-CB 3.32Å; L598-S600 PolarHBondContact O-N 2.71Å; L598-S600 PolarHBondContact O-OG 3.16Å; L598-L605 HydrophobicContact CB-CD1 3.8Å; L598-L605 HydrophobicContact CD1-CD1 4.48Å |
| 599 | V | 83.5 | Confident | 84.3 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | trans | -61.4 | 110.7 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | P595 V607 | P595-V599 WeakPolarHBondContact O-CG2 3.44Å; V599-V607 HydrophobicContact CG2-CB 4.36Å; V599-V607 HydrophobicContact CG2-CG2 3.58Å | ||
| 600 | S | 78.6 | Confident | 83.4 | Confident | 50 Ų | 50 | 67.7 Ų | 67.7 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -155.4 | 176.1 | -168.9 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | L598 D602 F603 | L598-S600 WeakPolarHBondContact O-CB 3.32Å; L598-S600 PolarHBondContact O-N 2.71Å; L598-S600 PolarHBondContact O-OG 3.16Å; S600-D602 VanDerWaalsContact C-N 3.27Å; S600-F603 PolarHBondContact N-O 3.38Å; S600-F603 CarbonylContact O-C 3.53Å; S600-F603 PolarHBondContact OG-N 3.27Å; S600-F603 VanDerWaalsContact OG-N 3.09Å |
| 601 | L | 66.1 | Low | 82.8 | Confident | 181 Ų | 181 | 73.2 Ų | 73.2 | 95% | 0.948 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -67 | -29.7 | 172 | -74 | 169 | 0 | 0 | 0 | 112.2 | ||
| 602 | D | 72.9 | Confident | 82.5 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -79.9 | -30.2 | 177.2 | -63 | -86.5 | 0 | 0 | 0 | 112.8 | S600 | S600-D602 VanDerWaalsContact C-N 3.27Š|
| 603 | F | 81.9 | Confident | 82.3 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | trans | -125.6 | 92.9 | 178.5 | -47.1 | -54.9 | 0 | 0 | 0 | 111.7 | F568 S600 L605 | F568-F603 HydrophobicContact CB-CE1 4.03Å; F568-F603 HydrophobicContact CB-CZ 4.44Å; F568-F603 AromaticContact CD2-CD1 3.77Å; F568-F603 HydrophobicContact CD2-CD1 3.77Å; F568-F603 HydrophobicContact CD2-CE1 4.01Å; F568-F603 HydrophobicContact CD2-CG 4.1Å; F568-F603 HydrophobicContact CE2-CG 4.49Å; F568-F603 HydrophobicContact CG-CE1 4.49Å; S600-F603 PolarHBondContact N-O 3.38Å; S600-F603 CarbonylContact O-C 3.53Å; S600-F603 PolarHBondContact OG-N 3.27Å; S600-F603 VanDerWaalsContact OG-N 3.09Å; F603-L605 HydrophobicContact CB-CD2 4.45Å; F603-L605 HydrophobicContact CB-CG 4.15Å; F603-L605 PolarHBondContact O-N 3.47Å | ||
| 604 | P | 82.6 | Confident | 82.4 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | trans | -82.1 | 58.2 | -173.9 | 34.5 | -37.6 | 0 | 0 | 0 | 112.9 | R649 | P604-R649 PolarHBondContact O-NH1 3.02Å; P604-R649 PolarHBondContact O-NH2 2.9Å | ||
| 605 | L | 84 | Confident | 82.7 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | trans | -73.6 | 133.2 | -174.4 | -52.7 | -179.4 | 0 | 0 | 0 | 112.6 | F568 L598 F603 V607 L613 L651 | F568-L605 HydrophobicContact CE2-CD1 4.31Å; F568-L605 HydrophobicContact CE2-CD2 4.36Å; L598-L605 HydrophobicContact CB-CD1 3.8Å; L598-L605 HydrophobicContact CD1-CD1 4.48Å; F603-L605 HydrophobicContact CB-CD2 4.45Å; F603-L605 HydrophobicContact CB-CG 4.15Å; F603-L605 PolarHBondContact O-N 3.47Å; L605-V607 HydrophobicContact CB-CG2 3.95Å; L605-V607 PolarHBondContact O-N 3.21Å; L605-L613 HydrophobicContact CB-CD2 3.87Å; L605-L613 HydrophobicContact CD1-CD2 3.85Å; L605-L613 HydrophobicContact CD2-CD2 4.18Å; L605-L613 HydrophobicContact CG-CD2 4.17Å; L605-L651 HydrophobicContact CD2-CB 4.05Å; L605-L651 HydrophobicContact CD2-CD1 4.1Å | ||
| 606 | N | 82.7 | Confident | 83.1 | Confident | 111 Ų | 111 | 73 Ų | 73 | 59% | 0.594 | 40% | 0.397 | S | S | * | . | trans | -89.7 | 76.1 | 178.4 | -171.2 | 10.7 | 0 | 0 | 0 | 111.5 | R608 | N606-R608 PolarHBondContact O-N 2.95Š| ||
| 607 | V | 84.1 | Confident | 83.5 | Confident | 37 Ų | 37 | 68 Ų | 68 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | trans | -83.7 | 104.2 | -171.6 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | P595 Q596 V599 L605 L613 | P595-V607 HydrophobicContact CB-CG1 4.45Å; P595-V607 HydrophobicContact CB-CG2 3.91Å; P595-V607 HydrophobicContact CG-CG1 3.93Å; P595-V607 HydrophobicContact CG-CG2 4.29Å; Q596-V607 HydrophobicContact CG-CG1 4.09Å; V599-V607 HydrophobicContact CG2-CB 4.36Å; V599-V607 HydrophobicContact CG2-CG2 3.58Å; L605-V607 HydrophobicContact CB-CG2 3.95Å; L605-V607 PolarHBondContact O-N 3.21Å; V607-L613 HydrophobicContact CG2-CD2 4.27Å | ||
| 608 | R | 82 | Confident | 83.7 | Confident | 122 Ų | 122 | 64 Ų | 64 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | trans | -75.2 | 130.2 | 168.1 | -69.4 | -177.1 | -179 | 164.3 | 4.8 | 110.8 | N606 G610 H611 E739 | N606-R608 PolarHBondContact O-N 2.95Å; R608-G610 PolarHBondContact O-N 3.05Å; R608-H611 HydrophobicContact CB-CB 4.07Å; R608-H611 PolarHBondContact O-N 2.84Å; R608-E739 IonicContact CZ-OE1 2.7Å; R608-E739 VanDerWaalsContact CZ-OE1 3.24Å; R608-E739 IonicContact CZ-OE2 2.73Å; R608-E739 IonicContact NH1-OE1 3.61Å; R608-E739 PolarHBondContact NH1-OE1 3.25Å; R608-E739 IonicContact NH1-OE2 3.55Å; R608-E739 PolarHBondContact NH1-OE2 3.43Å; R608-E739 VanDerWaalsContact NH2-CD 3.32Å; R608-E739 IonicContact NH2-OE1 2.7Å; R608-E739 PolarHBondContact NH2-OE1 3.04Å; R608-E739 VanDerWaalsContact NH2-OE1 3.14Å; R608-E739 IonicContact NH2-OE2 2.73Å; R608-E739 PolarHBondContact NH2-OE2 3.33Å | ||
| 609 | K | 77.1 | Confident | 84.1 | Confident | 201 Ų | 201 | 64.5 Ų | 64.5 | 87% | 0.874 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 129 | -178.8 | -167.6 | 175.3 | -177.8 | 179.1 | 0 | 110.5 | H611 | K609-H611 VanDerWaalsContact C-N 3.29Å; K609-H611 PolarHBondContact O-N 3.31Å; K609-H611 PolarHBondContact O-ND1 2.8Å; K609-H611 VanDerWaalsContact O-ND1 3.16Å |
| 610 | G | 75.6 | Confident | 84.3 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 80% | 0.804 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 7.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R608 | R608-G610 PolarHBondContact O-N 3.05Š|
| 611 | H | 82.7 | Confident | 84.6 | Confident | 122 Ų | 122 | 62.2 Ų | 62.2 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -116 | 148.2 | 177.1 | -68.4 | 69 | 0 | 0 | 0 | 110.4 | R608 K609 | R608-H611 HydrophobicContact CB-CB 4.07Å; R608-H611 PolarHBondContact O-N 2.84Å; K609-H611 VanDerWaalsContact C-N 3.29Å; K609-H611 PolarHBondContact O-N 3.31Å; K609-H611 PolarHBondContact O-ND1 2.8Å; K609-H611 VanDerWaalsContact O-ND1 3.16Å |
| 612 | P | 87.8 | Confident | 85.3 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | trans | -67.4 | 138.6 | 174 | 30.3 | -35.6 | 0 | 0 | 0 | 110.2 | E591 L614 | E591-P612 HydrophobicContact CG-CB 4.15Å; E591-P612 VanDerWaalsContact OE1-CB 3.25Å; E591-P612 WeakPolarHBondContact OE1-CB 3.45Å; P612-L614 PolarHBondContact O-N 3.09Å | ||
| 613 | L | 91 | Very high | 85.7 | Confident | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.105 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 106.1 | 171.7 | 178.2 | 66 | 0 | 0 | 0 | 109.1 | E591 V592 P595 L605 V607 V615 | E591-L613 CarbonylContact C-O 3.57Å; E591-L613 WeakPolarHBondContact CA-O 3.44Å; V592-L613 HydrophobicContact CB-CB 4.26Å; V592-L613 HydrophobicContact CB-CD2 4.03Å; V592-L613 HydrophobicContact CB-CG 4.34Å; V592-L613 HydrophobicContact CG1-CD2 4.48Å; V592-L613 HydrophobicContact CG2-CD2 3.95Å; V592-L613 HydrophobicContact CG2-CG 4.2Å; V592-L613 PolarHBondContact N-O 2.84Å; P595-L613 HydrophobicContact CB-CB 4.02Å; P595-L613 HydrophobicContact CB-CD2 3.72Å; P595-L613 HydrophobicContact CG-CB 3.98Å; L605-L613 HydrophobicContact CB-CD2 3.87Å; L605-L613 HydrophobicContact CD1-CD2 3.85Å; L605-L613 HydrophobicContact CD2-CD2 4.18Å; L605-L613 HydrophobicContact CG-CD2 4.17Å; V607-L613 HydrophobicContact CG2-CD2 4.27Å; L613-V615 HydrophobicContact CG-CG1 4.27Å |
| 614 | L | 93.5 | Very high | 85.5 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 32% | 0.319 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 137.3 | 173.8 | -64.3 | -179.3 | 0 | 0 | 0 | 111 | L589 C590 E591 P612 Y666 | L589-L614 HydrophobicContact CD1-CB 4.07Å; L589-L614 HydrophobicContact CD1-CD2 4.32Å; L589-L614 HydrophobicContact CG-CD2 4.5Å; C590-L614 WeakPolarHBondContact O-CA 3.29Å; E591-L614 HydrophobicContact CB-CD2 4.22Å; P612-L614 PolarHBondContact O-N 3.09Å; L614-Y666 HydrophobicContact CB-CD1 3.84Å; L614-Y666 HydrophobicContact CB-CG 4.28Å; L614-Y666 HydrophobicContact CD1-CD1 4.04Å; L614-Y666 HydrophobicContact CD1-CE1 4.13Å |
| 615 | V | 94.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145.6 | 178.3 | -63.9 | 0 | 0 | 0 | 0 | 110.7 | L573 C590 V592 L613 V617 L651 I663 T664 | L573-V615 HydrophobicContact CD2-CG2 4.05Å; C590-V615 HydrophobicContact CB-CG2 4.03Å; C590-V615 PolarHBondContact N-O 3.48Å; C590-V615 PolarHBondContact O-N 2.94Å; V592-V615 HydrophobicContact CG2-CG1 3.94Å; V592-V615 HydrophobicContact CG2-CG2 3.8Å; L613-V615 HydrophobicContact CG-CG1 4.27Å; V615-V617 HydrophobicContact CG2-CG2 4.03Å; V615-L651 HydrophobicContact CG1-CD1 3.78Å; V615-I663 HydrophobicContact CB-CG2 3.62Å; V615-I663 HydrophobicContact CG1-CG2 3.98Å; V615-I663 HydrophobicContact CG2-CG2 3.68Å; V615-T664 WeakPolarHBondContact CB-O 3.5Å |
| 616 | A | 92.7 | Very high | 85 | Confident | 8 Ų | 8 | 70 Ų | 70 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L579 V587 I663 T664 | L579-A616 HydrophobicContact CD1-CB 4.26Å; V587-A616 HydrophobicContact CG1-CB 4.25Å; A616-I663 WeakPolarHBondContact O-CA 3.38Å; A616-T664 PolarHBondContact N-O 3.11Å; A616-T664 VanDerWaalsContact N-O 3.11Å; A616-T664 PolarHBondContact O-N 3.41Å |
| 617 | V | 92.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 107.9 | -177.6 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | L573 V587 H588 C590 V615 I619 C661 M662 I663 | L573-V617 HydrophobicContact CD1-CG1 4.42Å; L573-V617 HydrophobicContact CD1-CG2 4.37Å; L573-V617 HydrophobicContact CD2-CG2 4.27Å; V587-V617 WeakPolarHBondContact CA-O 3.49Å; H588-V617 PolarHBondContact N-O 3.11Å; H588-V617 PolarHBondContact O-N 2.82Å; C590-V617 HydrophobicContact CB-CG2 3.86Å; V615-V617 HydrophobicContact CG2-CG2 4.03Å; V617-I619 HydrophobicContact CG1-CD1 4.29Å; V617-I619 HydrophobicContact CG1-CG1 3.87Å; V617-C661 HydrophobicContact CG1-CB 3.9Å; V617-M662 CarbonylContact C-O 3.34Å; V617-M662 VanDerWaalsContact CA-O 3.31Å; V617-M662 WeakPolarHBondContact CA-O 3.49Å; V617-I663 HydrophobicContact CG1-CG1 4.36Å; V617-I663 HydrophobicContact CG2-CG1 4.18Å; V617-I663 HydrophobicContact CG2-CG2 4.46Å |
| 618 | K | 89.8 | Confident | 83.9 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.2 | 171.3 | -162.6 | -175.2 | -160.9 | -177.7 | 0 | 108.3 | E586 V587 F632 E635 C661 M662 F748 | E586-K618 CarbonylContact O-C 3.54Å; E586-K618 WeakPolarHBondContact O-CA 3.36Å; V587-K618 HydrophobicContact CG2-CB 4.01Å; V587-K618 HydrophobicContact CG2-CG 3.83Å; K618-F632 HydrophobicContact CB-CE2 4.47Å; K618-F632 HydrophobicContact CD-CE2 4.22Å; K618-F632 HydrophobicContact CG-CE2 4.12Å; K618-F632 WeakPolarHBondContact O-CZ 3.28Å; K618-E635 IonicContact NZ-OE1 2.72Å; K618-E635 PolarHBondContact NZ-OE1 3.02Å; K618-E635 IonicContact NZ-OE2 3.85Å; K618-E635 PolarHBondContact NZ-OE2 2.73Å; K618-C661 CarbonylContact O-C 3.59Å; K618-C661 VanDerWaalsContact O-CA 3.25Å; K618-C661 WeakPolarHBondContact O-CA 3.33Å; K618-M662 HydrophobicContact CB-CB 4.46Å; K618-M662 HydrophobicContact CD-CE 3.73Å; K618-M662 PolarHBondContact N-O 3.03Å; K618-M662 PolarHBondContact O-N 3.48Å; K618-F748 HydrophobicContact CD-CD1 4.29Å; K618-F748 WeakPolarHBondContact CE-O 3.43Å; K618-F748 PolarHBondContact NZ-O 2.87Å |
| 619 | I | 90.1 | Very high | 83.8 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 16% | 0.164 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.1 | -174.5 | -51.1 | -173.3 | 0 | 0 | 0 | 109.5 | G585 E586 H588 V617 P659 L660 | G585-I619 CarbonylContact C-O 3.54Å; G585-I619 WeakPolarHBondContact CA-O 3.49Å; E586-I619 PolarHBondContact N-O 3.18Å; E586-I619 PolarHBondContact O-N 3.21Å; H588-I619 VanDerWaalsContact ND1-CD1 3.35Å; H588-I619 WeakPolarHBondContact ND1-CD1 3.44Å; V617-I619 HydrophobicContact CG1-CD1 4.29Å; V617-I619 HydrophobicContact CG1-CG1 3.87Å; I619-P659 HydrophobicContact CG2-CB 3.76Å; I619-P659 HydrophobicContact CG2-CG 3.87Å; I619-L660 WeakPolarHBondContact CA-O 3.5Å |
| 620 | L | 88.7 | Confident | 83.9 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 132.9 | 170 | -172.5 | 76.4 | 0 | 0 | 0 | 109.9 | F584 A624 A628 R629 F632 P659 L660 | F584-L620 HydrophobicContact CB-CD1 4.27Å; F584-L620 WeakPolarHBondContact O-CD1 3.21Å; L620-A624 HydrophobicContact CD1-CB 3.73Å; L620-A624 HydrophobicContact CD2-CB 4.12Å; L620-A624 HydrophobicContact CG-CB 3.72Å; L620-A628 HydrophobicContact CD1-CB 4.36Å; L620-R629 HydrophobicContact CD2-CB 3.83Å; L620-R629 HydrophobicContact CD2-CG 3.82Å; L620-F632 HydrophobicContact CB-CD2 3.92Å; L620-F632 HydrophobicContact CB-CE2 4.04Å; L620-F632 HydrophobicContact CB-CG 4.24Å; L620-F632 HydrophobicContact CB-CZ 4.47Å; L620-F632 HydrophobicContact CD1-CB 4.23Å; L620-F632 HydrophobicContact CD1-CD2 4.15Å; L620-F632 HydrophobicContact CD1-CG 4.43Å; L620-F632 HydrophobicContact CD2-CB 4.46Å; L620-P659 WeakPolarHBondContact O-CB 3.46Å; L620-L660 HydrophobicContact CB-CB 4.11Å; L620-L660 HydrophobicContact CD2-CB 4.45Å; L620-L660 HydrophobicContact CD2-CD1 3.98Å; L620-L660 HydrophobicContact CD2-CG 4.3Å; L620-L660 PolarHBondContact N-O 2.88Å |
| 621 | R | 84.2 | Confident | 83.7 | Confident | 74 Ų | 74 | 58 Ų | 58 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | trans | -66.6 | 142.2 | 178 | -62.3 | -167.9 | -78.2 | 109 | -10.1 | 111.1 | Q583 F584 D623 A624 | Q583-R621 PolarHBondContact O-NH2 3.05Å; F584-R621 PolarHBondContact O-N 3.1Å; R621-D623 WeakPolarHBondContact CB-OD1 3.39Å; R621-D623 IonicContact CZ-OD1 2.68Å; R621-D623 IonicContact CZ-OD2 2.72Å; R621-D623 IonicContact NH1-OD1 3.27Å; R621-D623 PolarHBondContact NH1-OD1 2.9Å; R621-D623 IonicContact NH1-OD2 3.43Å; R621-D623 PolarHBondContact NH1-OD2 3.4Å; R621-D623 PolarHBondContact O-N 3.04Å; R621-A624 WeakPolarHBondContact O-CB 3.45Å; R621-A624 PolarHBondContact O-N 3.26Å | ||
| 622 | P | 81.5 | Confident | 83.6 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 70% | 0.695 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25 | -179.1 | -25.3 | 34.5 | 0 | 0 | 0 | 115.1 | A624 P659 | P622-A624 VanDerWaalsContact C-N 3.32Å; P622-P659 HydrophobicContact CG-CB 4.38Å |
| 623 | D | 81.6 | Confident | 83.4 | Confident | 113 Ų | 113 | 51.5 Ų | 51.5 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.5 | 176 | 69.8 | -53.3 | 0 | 0 | 0 | 113.5 | R621 | R621-D623 WeakPolarHBondContact CB-OD1 3.39Å; R621-D623 IonicContact CZ-OD1 2.68Å; R621-D623 IonicContact CZ-OD2 2.72Å; R621-D623 IonicContact NH1-OD1 3.27Å; R621-D623 PolarHBondContact NH1-OD1 2.9Å; R621-D623 IonicContact NH1-OD2 3.43Å; R621-D623 PolarHBondContact NH1-OD2 3.4Å; R621-D623 PolarHBondContact O-N 3.04Å |
| 624 | A | 77.6 | Confident | 82.8 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | trans | -60.8 | 141.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L620 R621 P622 A628 | L620-A624 HydrophobicContact CD1-CB 3.73Å; L620-A624 HydrophobicContact CD2-CB 4.12Å; L620-A624 HydrophobicContact CG-CB 3.72Å; R621-A624 WeakPolarHBondContact O-CB 3.45Å; R621-A624 PolarHBondContact O-N 3.26Å; P622-A624 VanDerWaalsContact C-N 3.32Å; A624-A628 HydrophobicContact CB-CB 4.25Å | ||
| 625 | T | 78 | Confident | 82.1 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | trans | -60.3 | 154.7 | -177.8 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | N627 A628 R629 | T625-N627 PolarHBondContact O-N 2.96Å; T625-A628 PolarHBondContact O-N 3.28Å; T625-A628 VanDerWaalsContact O-N 3.08Å; T625-A628 PolarHBondContact OG1-N 3.19Å; T625-R629 PolarHBondContact O-N 3.21Å | ||
| 626 | K | 78.4 | Confident | 81.6 | Confident | 174 Ų | 174 | 51.3 Ų | 51.3 | 76% | 0.757 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55 | -28.1 | 174.5 | -69.1 | -176.9 | 179.6 | 177.6 | 0 | 112.7 | N630 | K626-N630 PolarHBondContact O-N 2.88Å; K626-N630 VanDerWaalsContact O-N 3.14Å; K626-N630 PolarHBondContact O-ND2 3.4Å |
| 627 | N | 71.3 | Confident | 81.1 | Confident | 114 Ų | 114 | 55 Ų | 55 | 61% | 0.61 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70 | -55.2 | 174.6 | -66.4 | -4.2 | 0 | 0 | 0 | 110.3 | T625 R629 N630 D631 | T625-N627 PolarHBondContact O-N 2.96Å; N627-R629 PolarHBondContact O-N 3.3Å; N627-R629 VanDerWaalsContact O-N 3.16Å; N627-N630 CarbonylContact O-C 3.38Å; N627-N630 WeakPolarHBondContact O-CA 3.43Å; N627-N630 WeakPolarHBondContact O-CB 3.34Å; N627-N630 PolarHBondContact O-N 3.47Å; N627-D631 PolarHBondContact O-N 3.17Å; N627-D631 VanDerWaalsContact O-OD2 3.1Å |
| 628 | A | 70.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.1 | -37 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F584 L620 A624 T625 D631 F632 | F584-A628 HydrophobicContact CB-CB 3.83Å; F584-A628 HydrophobicContact CD1-CB 3.78Å; F584-A628 HydrophobicContact CD2-CB 4.08Å; F584-A628 HydrophobicContact CE1-CB 4.36Å; F584-A628 HydrophobicContact CG-CB 3.61Å; L620-A628 HydrophobicContact CD1-CB 4.36Å; A624-A628 HydrophobicContact CB-CB 4.25Å; T625-A628 PolarHBondContact O-N 3.28Å; T625-A628 VanDerWaalsContact O-N 3.08Å; T625-A628 PolarHBondContact OG1-N 3.19Å; A628-D631 PolarHBondContact O-N 3.45Å; A628-F632 WeakPolarHBondContact O-CB 3.41Å; A628-F632 PolarHBondContact O-N 3.39Å |
| 629 | R | 81.4 | Confident | 80.1 | Confident | 83 Ų | 83 | 55 Ų | 55 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 172.2 | -164.9 | -170.4 | -174.5 | 114.3 | 1.1 | 113 | L620 T625 N627 L633 D658 L660 | L620-R629 HydrophobicContact CD2-CB 3.83Å; L620-R629 HydrophobicContact CD2-CG 3.82Å; T625-R629 PolarHBondContact O-N 3.21Å; N627-R629 PolarHBondContact O-N 3.3Å; N627-R629 VanDerWaalsContact O-N 3.16Å; R629-L633 VanDerWaalsContact O-CG 3.31Å; R629-L633 WeakPolarHBondContact O-CG 3.38Å; R629-L633 PolarHBondContact O-N 2.78Å; R629-L633 VanDerWaalsContact O-N 3.14Å; R629-D658 IonicContact CZ-OD1 3.39Å; R629-D658 IonicContact CZ-OD2 2.75Å; R629-D658 VanDerWaalsContact CZ-OD2 3.31Å; R629-D658 VanDerWaalsContact NH1-CG 3.26Å; R629-D658 IonicContact NH1-OD1 3.17Å; R629-D658 PolarHBondContact NH1-OD1 2.76Å; R629-D658 IonicContact NH1-OD2 2.66Å; R629-D658 PolarHBondContact NH1-OD2 3.31Å; R629-D658 VanDerWaalsContact NH2-CG 3.26Å; R629-D658 IonicContact NH2-OD1 3.16Å; R629-D658 PolarHBondContact NH2-OD1 3.42Å; R629-D658 IonicContact NH2-OD2 3.16Å; R629-D658 PolarHBondContact NH2-OD2 2.82Å; R629-L660 HydrophobicContact CG-CD1 3.55Å |
| 630 | N | 78.2 | Confident | 79.8 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 175.2 | -86.9 | -91.9 | 0 | 0 | 0 | 111.8 | R172 K626 N627 L633 K634 | R172-N630 WeakPolarHBondContact CD-OD1 3.46Å; R172-N630 PolarHBondContact NH1-ND2 3.31Å; R172-N630 PolarHBondContact NH1-OD1 3.24Å; K626-N630 PolarHBondContact O-N 2.88Å; K626-N630 VanDerWaalsContact O-N 3.14Å; K626-N630 PolarHBondContact O-ND2 3.4Å; N627-N630 CarbonylContact O-C 3.38Å; N627-N630 WeakPolarHBondContact O-CA 3.43Å; N627-N630 WeakPolarHBondContact O-CB 3.34Å; N627-N630 PolarHBondContact O-N 3.47Å; N630-L633 CarbonylContact O-C 3.52Å; N630-L633 PolarHBondContact O-N 2.95Å; N630-K634 WeakPolarHBondContact O-CG 3.42Å; N630-K634 PolarHBondContact O-N 2.84Å |
| 631 | D | 71.6 | Confident | 79.5 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.7 | -35.8 | -178.2 | -59.9 | -37.9 | 0 | 0 | 0 | 111.4 | N547 N627 A628 K634 E635 | N547-D631 PolarHBondContact ND2-O 2.95Å; N627-D631 PolarHBondContact O-N 3.17Å; N627-D631 VanDerWaalsContact O-OD2 3.1Å; A628-D631 PolarHBondContact O-N 3.45Å; D631-K634 WeakPolarHBondContact O-CB 3.36Å; D631-K634 PolarHBondContact O-N 3.16Å; D631-K634 IonicContact OD1-NZ 2.85Å; D631-E635 PolarHBondContact O-N 3.03Å |
| 632 | F | 81.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.044 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 167 | -168 | -83 | 0 | 0 | 0 | 111.9 | K618 L620 A628 K634 E635 V636 L660 M662 | K618-F632 HydrophobicContact CB-CE2 4.47Å; K618-F632 HydrophobicContact CD-CE2 4.22Å; K618-F632 HydrophobicContact CG-CE2 4.12Å; K618-F632 WeakPolarHBondContact O-CZ 3.28Å; L620-F632 HydrophobicContact CB-CD2 3.92Å; L620-F632 HydrophobicContact CB-CE2 4.04Å; L620-F632 HydrophobicContact CB-CG 4.24Å; L620-F632 HydrophobicContact CB-CZ 4.47Å; L620-F632 HydrophobicContact CD1-CB 4.23Å; L620-F632 HydrophobicContact CD1-CD2 4.15Å; L620-F632 HydrophobicContact CD1-CG 4.43Å; L620-F632 HydrophobicContact CD2-CB 4.46Å; A628-F632 WeakPolarHBondContact O-CB 3.41Å; A628-F632 PolarHBondContact O-N 3.39Å; F632-K634 VanDerWaalsContact C-N 3.29Å; F632-K634 PolarHBondContact O-N 2.94Å; F632-E635 WeakPolarHBondContact O-CB 3.24Å; F632-E635 PolarHBondContact O-N 2.98Å; F632-V636 HydrophobicContact CD1-CG2 4.15Å; F632-V636 HydrophobicContact CE1-CG2 4.14Å; F632-V636 WeakPolarHBondContact O-CG2 3.39Å; F632-V636 PolarHBondContact O-N 2.72Å; F632-L660 HydrophobicContact CD1-CB 3.83Å; F632-L660 HydrophobicContact CD1-CD1 4.13Å; F632-L660 HydrophobicContact CE1-CB 3.6Å; F632-L660 HydrophobicContact CZ-CB 4.29Å; F632-L660 WeakPolarHBondContact CZ-O 3.43Å; F632-M662 HydrophobicContact CD1-CE 4.37Å; F632-M662 HydrophobicContact CD2-CE 4.06Å; F632-M662 HydrophobicContact CE1-CE 4.05Å; F632-M662 HydrophobicContact CE1-CG 4.04Å; F632-M662 HydrophobicContact CE2-CE 3.75Å; F632-M662 HydrophobicContact CG-CE 4.37Å; F632-M662 HydrophobicContact CZ-CB 4.44Å; F632-M662 HydrophobicContact CZ-CE 3.74Å; F632-M662 HydrophobicContact CZ-CG 4.07Å |
| 633 | L | 83 | Confident | 79.9 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.1 | -18.1 | 176.3 | -70.3 | 171.9 | 0 | 0 | 0 | 113.9 | R629 N630 K637 V655 L660 | R629-L633 VanDerWaalsContact O-CG 3.31Å; R629-L633 WeakPolarHBondContact O-CG 3.38Å; R629-L633 PolarHBondContact O-N 2.78Å; R629-L633 VanDerWaalsContact O-N 3.14Å; N630-L633 CarbonylContact O-C 3.52Å; N630-L633 PolarHBondContact O-N 2.95Å; L633-K637 WeakPolarHBondContact O-CD 3.47Å; L633-K637 WeakPolarHBondContact O-CG 3.37Å; L633-V655 HydrophobicContact CD2-CB 4.18Å; L633-V655 HydrophobicContact CD2-CG1 3.89Å; L633-L660 HydrophobicContact CD1-CD1 4.19Å; L633-L660 HydrophobicContact CD2-CD1 4Å; L633-L660 HydrophobicContact CG-CD1 3.89Å |
| 634 | K | 78.7 | Confident | 80.5 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.6 | -43.7 | 166.3 | -74.7 | 170.4 | 176.5 | 176 | 0 | 110.6 | D171 N630 D631 F632 V636 K637 I638 | D171-K634 VanDerWaalsContact OD2-CE 3.23Å; D171-K634 WeakPolarHBondContact OD2-CE 3.46Å; D171-K634 IonicContact OD2-NZ 3.81Å; D171-K634 PolarHBondContact OD2-NZ 3.4Å; N630-K634 WeakPolarHBondContact O-CG 3.42Å; N630-K634 PolarHBondContact O-N 2.84Å; D631-K634 WeakPolarHBondContact O-CB 3.36Å; D631-K634 PolarHBondContact O-N 3.16Å; D631-K634 IonicContact OD1-NZ 2.85Å; F632-K634 VanDerWaalsContact C-N 3.29Å; F632-K634 PolarHBondContact O-N 2.94Å; K634-V636 PolarHBondContact O-N 3.28Å; K634-K637 PolarHBondContact O-N 3.21Å; K634-K637 VanDerWaalsContact O-N 3.16Å; K634-I638 WeakPolarHBondContact O-CG1 3.47Å; K634-I638 PolarHBondContact O-N 3.16Å |
| 635 | E | 79.4 | Confident | 81.2 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56 | -48.2 | 174.5 | -162.6 | -172.9 | 160.7 | 0 | 0 | 111.2 | K618 D631 F632 K637 I638 M639 M662 | K618-E635 IonicContact NZ-OE1 2.72Å; K618-E635 PolarHBondContact NZ-OE1 3.02Å; K618-E635 IonicContact NZ-OE2 3.85Å; K618-E635 PolarHBondContact NZ-OE2 2.73Å; D631-E635 PolarHBondContact O-N 3.03Å; F632-E635 WeakPolarHBondContact O-CB 3.24Å; F632-E635 PolarHBondContact O-N 2.98Å; E635-K637 VanDerWaalsContact C-N 3.31Å; E635-K637 PolarHBondContact O-N 2.75Å; E635-I638 WeakPolarHBondContact O-CB 3.49Å; E635-I638 PolarHBondContact O-N 2.93Å; E635-I638 VanDerWaalsContact O-N 3.11Å; E635-M639 HydrophobicContact CG-CG 4.26Å; E635-M639 VanDerWaalsContact O-CB 3.32Å; E635-M639 WeakPolarHBondContact O-CB 3.33Å; E635-M639 VanDerWaalsContact O-CG 3.29Å; E635-M639 WeakPolarHBondContact O-CG 3.27Å; E635-M639 PolarHBondContact O-N 2.9Å; E635-M662 HydrophobicContact CB-CE 4.02Å; E635-M662 HydrophobicContact CB-SD 4.38Å; E635-M662 HydrophobicContact CG-CE 3.81Å; E635-M662 HydrophobicContact CG-SD 4.25Å; E635-M662 WeakPolarHBondContact OE1-CE 3.47Å; E635-M662 WeakPolarHBondContact OE2-CE 3.31Å |
| 636 | V | 83.3 | Confident | 82.1 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -49.1 | -48.7 | 173.1 | 166.3 | 0 | 0 | 0 | 0 | 112.5 | F632 K634 I638 M639 S640 V653 V655 M662 | F632-V636 HydrophobicContact CD1-CG2 4.15Å; F632-V636 HydrophobicContact CE1-CG2 4.14Å; F632-V636 WeakPolarHBondContact O-CG2 3.39Å; F632-V636 PolarHBondContact O-N 2.72Å; K634-V636 PolarHBondContact O-N 3.28Å; V636-I638 VanDerWaalsContact C-N 3.34Å; V636-M639 PolarHBondContact O-N 2.8Å; V636-S640 WeakPolarHBondContact O-CB 3.38Å; V636-S640 PolarHBondContact O-N 3.17Å; V636-V653 HydrophobicContact CG1-CG1 4Å; V636-V653 HydrophobicContact CG2-CG1 4.36Å; V636-V655 HydrophobicContact CG2-CG1 4.32Å; V636-M662 HydrophobicContact CB-SD 4.21Å; V636-M662 HydrophobicContact CG2-CE 4.49Å; V636-M662 HydrophobicContact CG2-CG 3.51Å; V636-M662 HydrophobicContact CG2-SD 3.51Å; V636-M662 VanDerWaalsContact CG2-SD 3.51Å |
| 637 | K | 81.2 | Confident | 82.9 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 37% | 0.365 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -75.1 | -22.8 | -176.3 | -69.9 | 172.1 | -177.4 | 176.7 | 0 | 113.6 | L633 K634 E635 S640 | L633-K637 WeakPolarHBondContact O-CD 3.47Å; L633-K637 WeakPolarHBondContact O-CG 3.37Å; K634-K637 PolarHBondContact O-N 3.21Å; K634-K637 VanDerWaalsContact O-N 3.16Å; E635-K637 VanDerWaalsContact C-N 3.31Å; E635-K637 PolarHBondContact O-N 2.75Å; K637-S640 PolarHBondContact O-OG 2.97Å |
| 638 | I | 79.6 | Confident | 83.8 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.2 | -57.5 | 169.9 | -74.1 | 167.7 | 0 | 0 | 0 | 108.1 | Y549 V551 K634 E635 V636 S640 R641 L642 F725 | Y549-I638 HydrophobicContact CD2-CD1 4.5Å; Y549-I638 HydrophobicContact CD2-CG2 3.8Å; Y549-I638 HydrophobicContact CE2-CG2 4.18Å; Y549-I638 HydrophobicContact CG-CG2 4.48Å; V551-I638 HydrophobicContact CG2-CD1 3.67Å; V551-I638 HydrophobicContact CG2-CG1 3.91Å; K634-I638 WeakPolarHBondContact O-CG1 3.47Å; K634-I638 PolarHBondContact O-N 3.16Å; E635-I638 WeakPolarHBondContact O-CB 3.49Å; E635-I638 PolarHBondContact O-N 2.93Å; E635-I638 VanDerWaalsContact O-N 3.11Å; V636-I638 VanDerWaalsContact C-N 3.34Å; I638-S640 VanDerWaalsContact C-N 3.3Å; I638-S640 PolarHBondContact O-N 3.09Å; I638-R641 WeakPolarHBondContact O-CB 3.43Å; I638-R641 PolarHBondContact O-N 2.83Å; I638-L642 HydrophobicContact CG2-CD1 4.07Å; I638-F725 HydrophobicContact CB-CE2 4.49Å; I638-F725 HydrophobicContact CD1-CE2 4.46Å; I638-F725 HydrophobicContact CG1-CE2 4.32Å; I638-F725 HydrophobicContact CG2-CE2 3.48Å; I638-F725 VanDerWaalsContact CG2-CE2 3.48Å; I638-F725 HydrophobicContact CG2-CZ 3.43Å; I638-F725 VanDerWaalsContact CG2-CZ 3.43Å |
| 639 | M | 81.8 | Confident | 84.7 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.5 | -37.3 | -177.2 | -74.6 | -71 | -73.9 | 0 | 0 | 113.4 | E635 V636 R641 L642 I648 L650 M662 T664 | E635-M639 HydrophobicContact CG-CG 4.26Å; E635-M639 VanDerWaalsContact O-CB 3.32Å; E635-M639 WeakPolarHBondContact O-CB 3.33Å; E635-M639 VanDerWaalsContact O-CG 3.29Å; E635-M639 WeakPolarHBondContact O-CG 3.27Å; E635-M639 PolarHBondContact O-N 2.9Å; V636-M639 PolarHBondContact O-N 2.8Å; M639-R641 PolarHBondContact O-N 3.05Å; M639-R641 VanDerWaalsContact O-N 3.1Å; M639-L642 PolarHBondContact O-N 2.81Å; M639-L642 VanDerWaalsContact O-N 3.16Å; M639-L642 HydrophobicContact SD-CD1 4.25Å; M639-I648 HydrophobicContact CE-CG1 4.37Å; M639-I648 HydrophobicContact CE-CG2 3.68Å; M639-I648 HydrophobicContact SD-CG2 4Å; M639-L650 HydrophobicContact CB-CB 4.26Å; M639-L650 HydrophobicContact CB-CD1 4.39Å; M639-L650 HydrophobicContact CB-CD2 4.18Å; M639-M662 HydrophobicContact CG-SD 4.42Å; M639-T664 HydrophobicContact CE-CG2 3.8Å |
| 640 | S | 83.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.2 | 177.4 | 73 | 0 | 0 | 0 | 0 | 114.1 | V636 K637 I638 | V636-S640 WeakPolarHBondContact O-CB 3.38Å; V636-S640 PolarHBondContact O-N 3.17Å; K637-S640 PolarHBondContact O-OG 2.97Å; I638-S640 VanDerWaalsContact C-N 3.3Å; I638-S640 PolarHBondContact O-N 3.09Å |
| 641 | R | 82.2 | Confident | 85.7 | Confident | 95 Ų | 95 | 36 Ų | 36 | 36% | 0.358 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -6.8 | 179.4 | -58.2 | 179.3 | 64.7 | -144.4 | -6.3 | 113.3 | L554 I638 M639 Y719 | L554-R641 VanDerWaalsContact CD1-NH1 3.35Å; I638-R641 WeakPolarHBondContact O-CB 3.43Å; I638-R641 PolarHBondContact O-N 2.83Å; M639-R641 PolarHBondContact O-N 3.05Å; M639-R641 VanDerWaalsContact O-N 3.1Å; R641-Y719 PolarHBondContact O-OH 3.43Å |
| 642 | L | 86.3 | Confident | 86.6 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | trans | -92.1 | 106.9 | -178.7 | -58.4 | -178.3 | 0 | 0 | 0 | 109.9 | I638 M639 I647 Y719 L720 L723 F725 | I638-L642 HydrophobicContact CG2-CD1 4.07Å; M639-L642 PolarHBondContact O-N 2.81Å; M639-L642 VanDerWaalsContact O-N 3.16Å; M639-L642 HydrophobicContact SD-CD1 4.25Å; L642-I647 HydrophobicContact CB-CG2 3.89Å; L642-I647 HydrophobicContact CD1-CG2 3.94Å; L642-I647 HydrophobicContact CG-CG2 4.44Å; L642-Y719 HydrophobicContact CD2-CE1 4.17Å; L642-L720 HydrophobicContact CD1-CD2 4.5Å; L642-L720 HydrophobicContact CD2-CD2 3.74Å; L642-L723 HydrophobicContact CD2-CD1 3.86Å; L642-F725 HydrophobicContact CD1-CZ 4.46Å | ||
| 643 | K | 89.1 | Confident | 87.2 | Confident | 118 Ų | 118 | 33.4 Ų | 33.4 | 51% | 0.513 | 16% | 0.159 | S | C | . | . | trans | -133.6 | 75.7 | -173.9 | -66.4 | -174.5 | 177.7 | -178.8 | 0 | 110.6 | D561 Y719 | D561-K643 IonicContact OD1-NZ 3.24Å; D561-K643 PolarHBondContact OD1-NZ 3.19Å; D561-K643 WeakPolarHBondContact OD2-CE 3.44Å; D561-K643 IonicContact OD2-NZ 2.7Å; D561-K643 PolarHBondContact OD2-NZ 3.1Å; K643-Y719 PolarHBondContact N-OH 3.11Å | ||
| 644 | D | 93.3 | Very high | 87.6 | Confident | 30 Ų | 30 | 30.9 Ų | 30.9 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | trans | -140.5 | 146.6 | 178.7 | -178.2 | -90.6 | 0 | 0 | 0 | 110.6 | N646 I647 Y719 | D644-N646 PolarHBondContact O-N 3.39Å; D644-N646 WeakPolarHBondContact OD1-CA 3.46Å; D644-N646 PolarHBondContact OD1-N 3.28Å; D644-I647 HydrophobicContact CB-CB 4.27Å; D644-I647 HydrophobicContact CB-CG1 3.95Å; D644-I647 PolarHBondContact O-N 3.38Å; D644-Y719 HydrophobicContact CB-CD1 3.61Å; D644-Y719 HydrophobicContact CB-CD2 3.78Å; D644-Y719 HydrophobicContact CB-CE1 3.94Å; D644-Y719 HydrophobicContact CB-CE2 4.09Å; D644-Y719 HydrophobicContact CB-CG 3.52Å | ||
| 645 | P | 93.4 | Very high | 88.1 | Confident | 93 Ų | 93 | 29.7 Ų | 29.7 | 60% | 0.604 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.9 | 178.1 | -26.8 | 36.7 | 0 | 0 | 0 | 114.2 | K744 | P645-K744 PolarHBondContact O-NZ 3.1Š|
| 646 | N | 96.6 | Very high | 88.5 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 13.6 | -175.4 | -60.9 | 120.2 | 0 | 0 | 0 | 114.2 | D644 Q712 S715 I743 K744 I745 | D644-N646 PolarHBondContact O-N 3.39Å; D644-N646 WeakPolarHBondContact OD1-CA 3.46Å; D644-N646 PolarHBondContact OD1-N 3.28Å; N646-Q712 VanDerWaalsContact CB-O 3.29Å; N646-Q712 WeakPolarHBondContact CB-O 3.39Å; N646-Q712 WeakPolarHBondContact ND2-CB 3.32Å; N646-Q712 WeakPolarHBondContact ND2-CG 3.36Å; N646-Q712 PolarHBondContact ND2-OE1 3.15Å; N646-Q712 VanDerWaalsContact ND2-OE1 3.09Å; N646-S715 WeakPolarHBondContact OD1-CB 3.49Å; N646-S715 PolarHBondContact OD1-OG 3.27Å; N646-I743 WeakPolarHBondContact CA-O 3.38Å; N646-I743 PolarHBondContact ND2-O 3.47Å; N646-K744 WeakPolarHBondContact O-CA 3.34Å; N646-I745 PolarHBondContact O-N 3.26Å |
| 647 | I | 94.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -112 | 150.7 | 167.3 | -56.6 | -61.7 | 0 | 0 | 0 | 109.8 | L642 D644 R649 Y719 L720 K744 I745 | L642-I647 HydrophobicContact CB-CG2 3.89Å; L642-I647 HydrophobicContact CD1-CG2 3.94Å; L642-I647 HydrophobicContact CG-CG2 4.44Å; D644-I647 HydrophobicContact CB-CB 4.27Å; D644-I647 HydrophobicContact CB-CG1 3.95Å; D644-I647 PolarHBondContact O-N 3.38Å; I647-R649 PolarHBondContact O-N 3.04Å; I647-Y719 HydrophobicContact CG1-CD1 4.08Å; I647-L720 HydrophobicContact CD1-CD1 4.03Å; I647-L720 HydrophobicContact CD1-CD2 4.05Å; I647-L720 HydrophobicContact CD1-CG 3.89Å; I647-L720 HydrophobicContact CG1-CD2 4.28Å; I647-K744 PolarHBondContact O-NZ 2.88Å; I647-I745 HydrophobicContact CD1-CB 3.96Å; I647-I745 HydrophobicContact CD1-CD1 4.11Å; I647-I745 HydrophobicContact CD1-CG1 4.3Å |
| 648 | I | 90.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -64.5 | 130 | 172.8 | -170.1 | 62.1 | 0 | 0 | 0 | 110.8 | M639 T664 K744 I745 A746 F748 | M639-I648 HydrophobicContact CE-CG1 4.37Å; M639-I648 HydrophobicContact CE-CG2 3.68Å; M639-I648 HydrophobicContact SD-CG2 4Å; I648-T664 HydrophobicContact CG1-CG2 4.06Å; I648-K744 HydrophobicContact CD1-CD 4.26Å; I648-I745 WeakPolarHBondContact CG2-O 3.43Å; I648-I745 PolarHBondContact N-O 2.8Å; I648-A746 HydrophobicContact CB-CB 3.93Å; I648-A746 HydrophobicContact CG1-CB 4.49Å; I648-A746 HydrophobicContact CG2-CB 3.66Å; I648-F748 HydrophobicContact CD1-CZ 4.47Å; I648-F748 HydrophobicContact CG1-CE2 4.04Å; I648-F748 HydrophobicContact CG1-CZ 3.96Å | ||
| 649 | R | 89.1 | Confident | 89.5 | Confident | 64 Ų | 64 | 42.3 Ų | 42.3 | 24% | 0.242 | 21% | 0.213 | C | C | . | . | trans | -106.7 | 130.6 | -168.5 | -179.6 | 178.8 | 68.5 | 123.3 | 1 | 110.9 | P604 I647 L651 T664 D665 | P604-R649 PolarHBondContact O-NH1 3.02Å; P604-R649 PolarHBondContact O-NH2 2.9Å; I647-R649 PolarHBondContact O-N 3.04Å; R649-L651 HydrophobicContact CG-CD2 4.44Å; R649-T664 VanDerWaalsContact O-CA 3.28Å; R649-T664 WeakPolarHBondContact O-CA 3.4Å; R649-T664 VanDerWaalsContact O-CB 3.3Å; R649-T664 WeakPolarHBondContact O-CB 3.41Å; R649-D665 WeakPolarHBondContact CB-OD2 3.33Å; R649-D665 IonicContact CZ-OD1 3.34Å; R649-D665 IonicContact CZ-OD2 2.69Å; R649-D665 IonicContact NE-OD1 3.58Å; R649-D665 IonicContact NE-OD2 2.75Å; R649-D665 PolarHBondContact NE-OD2 3.37Å; R649-D665 IonicContact NH2-OD1 3.24Å; R649-D665 PolarHBondContact NH2-OD1 2.9Å; R649-D665 IonicContact NH2-OD2 3.62Å; R649-D665 PolarHBondContact NH2-OD2 3.32Å; R649-D665 PolarHBondContact O-N 2.72Å | ||
| 650 | L | 90.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 125.6 | 172 | -166.3 | 68.7 | 0 | 0 | 0 | 110.2 | M639 V653 M662 | M639-L650 HydrophobicContact CB-CB 4.26Å; M639-L650 HydrophobicContact CB-CD1 4.39Å; M639-L650 HydrophobicContact CB-CD2 4.18Å; L650-V653 HydrophobicContact CD1-CG1 4.09Å; L650-V653 HydrophobicContact CD2-CG1 3.9Å; L650-V653 HydrophobicContact CG-CG1 4.32Å; L650-M662 HydrophobicContact CD1-CB 3.88Å; L650-M662 HydrophobicContact CD1-CG 3.99Å; L650-M662 HydrophobicContact CD1-SD 4.41Å |
| 651 | L | 90.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -23.9 | 177.7 | -57.5 | -174.4 | 0 | 0 | 0 | 113.1 | L605 V615 R649 I663 | L605-L651 HydrophobicContact CD2-CB 4.05Å; L605-L651 HydrophobicContact CD2-CD1 4.1Å; V615-L651 HydrophobicContact CG1-CD1 3.78Å; R649-L651 HydrophobicContact CG-CD2 4.44Å; L651-I663 HydrophobicContact CB-CG2 4.24Å; L651-I663 PolarHBondContact N-O 3.37Å |
| 652 | G | 91 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I663 | G652-I663 PolarHBondContact N-O 3.48Å; G652-I663 WeakPolarHBondContact O-CD1 3.36Å; G652-I663 PolarHBondContact O-N 3.22Å |
| 653 | V | 92.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155.8 | 179.1 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | P564 D567 F568 V636 L650 V655 C661 M662 | P564-V653 HydrophobicContact CB-CG2 4.19Å; P564-V653 HydrophobicContact CG-CG2 4.07Å; D567-V653 CarbonylContact C-O 3.3Å; D567-V653 WeakPolarHBondContact CA-O 3.38Å; F568-V653 WeakPolarHBondContact CB-O 3.34Å; F568-V653 PolarHBondContact N-O 3.08Å; V636-V653 HydrophobicContact CG1-CG1 4Å; V636-V653 HydrophobicContact CG2-CG1 4.36Å; L650-V653 HydrophobicContact CD1-CG1 4.09Å; L650-V653 HydrophobicContact CD2-CG1 3.9Å; L650-V653 HydrophobicContact CG-CG1 4.32Å; V653-V655 HydrophobicContact CB-CG1 4.15Å; V653-V655 HydrophobicContact CB-CG2 4.41Å; V653-V655 HydrophobicContact CG2-CG2 3.89Å; V653-C661 CarbonylContact C-O 3.51Å; V653-C661 WeakPolarHBondContact CA-O 3.36Å; V653-M662 HydrophobicContact CG1-CG 4.27Å |
| 654 | C | 92.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 101.6 | 162.3 | -51.6 | 0 | 0 | 0 | 0 | 107.3 | D567 F568 L660 C661 | D567-C654 WeakPolarHBondContact OD2-CA 3.02Å; F568-C654 PolarHBondContact O-SG 3.48Å; C654-L660 CarbonylContact O-C 3.44Å; C654-L660 WeakPolarHBondContact O-CA 3.14Å; C654-C661 HydrophobicContact CB-CB 3.95Å; C654-C661 PolarHBondContact N-O 3.3Å; C654-C661 PolarHBondContact O-N 3.19Å |
| 655 | V | 89.9 | Confident | 91.1 | Very high | 39 Ų | 39 | 31.5 Ų | 31.5 | 24% | 0.236 | 17% | 0.168 | C | C | . | . | trans | -133.5 | -3.1 | -172.4 | -67.3 | 0 | 0 | 0 | 0 | 115.2 | D567 L633 V636 V653 L660 | D567-V655 WeakPolarHBondContact OD1-CG2 3.42Å; D567-V655 PolarHBondContact OD1-N 3.02Å; D567-V655 PolarHBondContact OD2-N 3.47Å; L633-V655 HydrophobicContact CD2-CB 4.18Å; L633-V655 HydrophobicContact CD2-CG1 3.89Å; V636-V655 HydrophobicContact CG2-CG1 4.32Å; V653-V655 HydrophobicContact CB-CG1 4.15Å; V653-V655 HydrophobicContact CB-CG2 4.41Å; V653-V655 HydrophobicContact CG2-CG2 3.89Å; V655-L660 HydrophobicContact CB-CD2 4.24Å; V655-L660 HydrophobicContact CG1-CD2 4.32Å | ||
| 656 | Q | 86.1 | Confident | 91 | Very high | 143 Ų | 143 | 30.1 Ų | 30.1 | 67% | 0.668 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -70.7 | -51.3 | 170.2 | -58.5 | -63 | -28.2 | 0 | 0 | 110.5 | D567 | D567-Q656 HydrophobicContact CB-CG 4.33Å; D567-Q656 PolarHBondContact OD2-N 3.07Å |
| 657 | D | 86.4 | Confident | 90.7 | Very high | 121 Ų | 121 | 30.1 Ų | 30.1 | 65% | 0.647 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -113.4 | 154 | -179.2 | -63.9 | -51.9 | 0 | 0 | 0 | 111.7 | R570 | R570-D657 PolarHBondContact NH2-O 3.15Š|
| 658 | D | 88.1 | Confident | 90.5 | Very high | 78 Ų | 78 | 35 Ų | 35 | 42% | 0.417 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -78.4 | 155.8 | 175.7 | -77.8 | -45 | 0 | 0 | 0 | 113.4 | R629 | R629-D658 IonicContact CZ-OD1 3.39Å; R629-D658 IonicContact CZ-OD2 2.75Å; R629-D658 VanDerWaalsContact CZ-OD2 3.31Å; R629-D658 VanDerWaalsContact NH1-CG 3.26Å; R629-D658 IonicContact NH1-OD1 3.17Å; R629-D658 PolarHBondContact NH1-OD1 2.76Å; R629-D658 IonicContact NH1-OD2 2.66Å; R629-D658 PolarHBondContact NH1-OD2 3.31Å; R629-D658 VanDerWaalsContact NH2-CG 3.26Å; R629-D658 IonicContact NH2-OD1 3.16Å; R629-D658 PolarHBondContact NH2-OD1 3.42Å; R629-D658 IonicContact NH2-OD2 3.16Å; R629-D658 PolarHBondContact NH2-OD2 2.82Å |
| 659 | P | 90.9 | Very high | 90.5 | Very high | 40 Ų | 40 | 38 Ų | 38 | 26% | 0.26 | 19% | 0.189 | S | C | . | . | S | Bend | cis | -75.5 | 143.1 | -5.8 | 30.6 | -34.4 | 0 | 0 | 0 | 112 | R570 I619 L620 P622 C661 | R570-P659 VanDerWaalsContact CZ-O 3.23Å; R570-P659 PolarHBondContact NH1-O 3.36Å; R570-P659 PolarHBondContact NH2-O 3.09Å; I619-P659 HydrophobicContact CG2-CB 3.76Å; I619-P659 HydrophobicContact CG2-CG 3.87Å; L620-P659 WeakPolarHBondContact O-CB 3.46Å; P622-P659 HydrophobicContact CG-CB 4.38Å; P659-C661 PolarHBondContact O-N 2.93Å; P659-C661 PolarHBondContact O-SG 3.47Å; P659-C661 VanDerWaalsContact O-SG 3.39Å |
| 660 | L | 91.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 132.5 | 178.8 | -54.5 | -174.7 | 0 | 0 | 0 | 111.3 | I619 L620 R629 F632 L633 C654 V655 | I619-L660 WeakPolarHBondContact CA-O 3.5Å; L620-L660 HydrophobicContact CB-CB 4.11Å; L620-L660 HydrophobicContact CD2-CB 4.45Å; L620-L660 HydrophobicContact CD2-CD1 3.98Å; L620-L660 HydrophobicContact CD2-CG 4.3Å; L620-L660 PolarHBondContact N-O 2.88Å; R629-L660 HydrophobicContact CG-CD1 3.55Å; F632-L660 HydrophobicContact CD1-CB 3.83Å; F632-L660 HydrophobicContact CD1-CD1 4.13Å; F632-L660 HydrophobicContact CE1-CB 3.6Å; F632-L660 HydrophobicContact CZ-CB 4.29Å; F632-L660 WeakPolarHBondContact CZ-O 3.43Å; L633-L660 HydrophobicContact CD1-CD1 4.19Å; L633-L660 HydrophobicContact CD2-CD1 4Å; L633-L660 HydrophobicContact CG-CD1 3.89Å; C654-L660 CarbonylContact O-C 3.44Å; C654-L660 WeakPolarHBondContact O-CA 3.14Å; V655-L660 HydrophobicContact CB-CD2 4.24Å; V655-L660 HydrophobicContact CG1-CD2 4.32Å |
| 661 | C | 92.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.1 | 179.8 | -60.7 | 0 | 0 | 0 | 0 | 113.2 | R570 V617 K618 V653 C654 P659 | R570-C661 PolarHBondContact NH1-SG 2.94Å; V617-C661 HydrophobicContact CG1-CB 3.9Å; K618-C661 CarbonylContact O-C 3.59Å; K618-C661 VanDerWaalsContact O-CA 3.25Å; K618-C661 WeakPolarHBondContact O-CA 3.33Å; V653-C661 CarbonylContact C-O 3.51Å; V653-C661 WeakPolarHBondContact CA-O 3.36Å; C654-C661 HydrophobicContact CB-CB 3.95Å; C654-C661 PolarHBondContact N-O 3.3Å; C654-C661 PolarHBondContact O-N 3.19Å; P659-C661 PolarHBondContact O-N 2.93Å; P659-C661 PolarHBondContact O-SG 3.47Å; P659-C661 VanDerWaalsContact O-SG 3.39Å |
| 662 | M | 90.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.2 | 161.3 | -75.2 | -178.8 | -71.4 | 0 | 0 | 109 | V617 K618 F632 E635 V636 M639 L650 V653 | V617-M662 CarbonylContact C-O 3.34Å; V617-M662 VanDerWaalsContact CA-O 3.31Å; V617-M662 WeakPolarHBondContact CA-O 3.49Å; K618-M662 HydrophobicContact CB-CB 4.46Å; K618-M662 HydrophobicContact CD-CE 3.73Å; K618-M662 PolarHBondContact N-O 3.03Å; K618-M662 PolarHBondContact O-N 3.48Å; F632-M662 HydrophobicContact CD1-CE 4.37Å; F632-M662 HydrophobicContact CD2-CE 4.06Å; F632-M662 HydrophobicContact CE1-CE 4.05Å; F632-M662 HydrophobicContact CE1-CG 4.04Å; F632-M662 HydrophobicContact CE2-CE 3.75Å; F632-M662 HydrophobicContact CG-CE 4.37Å; F632-M662 HydrophobicContact CZ-CB 4.44Å; F632-M662 HydrophobicContact CZ-CE 3.74Å; F632-M662 HydrophobicContact CZ-CG 4.07Å; E635-M662 HydrophobicContact CB-CE 4.02Å; E635-M662 HydrophobicContact CB-SD 4.38Å; E635-M662 HydrophobicContact CG-CE 3.81Å; E635-M662 HydrophobicContact CG-SD 4.25Å; E635-M662 WeakPolarHBondContact OE1-CE 3.47Å; E635-M662 WeakPolarHBondContact OE2-CE 3.31Å; V636-M662 HydrophobicContact CB-SD 4.21Å; V636-M662 HydrophobicContact CG2-CE 4.49Å; V636-M662 HydrophobicContact CG2-CG 3.51Å; V636-M662 HydrophobicContact CG2-SD 3.51Å; V636-M662 VanDerWaalsContact CG2-SD 3.51Å; M639-M662 HydrophobicContact CG-SD 4.42Å; L650-M662 HydrophobicContact CD1-CB 3.88Å; L650-M662 HydrophobicContact CD1-CG 3.99Å; L650-M662 HydrophobicContact CD1-SD 4.41Å; V653-M662 HydrophobicContact CG1-CG 4.27Å |
| 663 | I | 93.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.8 | 177.6 | -56.4 | 88.2 | 0 | 0 | 0 | 108.3 | F568 L573 V615 A616 V617 L651 G652 | F568-I663 HydrophobicContact CB-CD1 3.88Å; F568-I663 HydrophobicContact CD1-CD1 4.41Å; F568-I663 HydrophobicContact CG-CD1 4.13Å; L573-I663 HydrophobicContact CD1-CD1 4.34Å; L573-I663 HydrophobicContact CD1-CG1 4.07Å; L573-I663 HydrophobicContact CD2-CG1 4.32Å; V615-I663 HydrophobicContact CB-CG2 3.62Å; V615-I663 HydrophobicContact CG1-CG2 3.98Å; V615-I663 HydrophobicContact CG2-CG2 3.68Å; A616-I663 WeakPolarHBondContact O-CA 3.38Å; V617-I663 HydrophobicContact CG1-CG1 4.36Å; V617-I663 HydrophobicContact CG2-CG1 4.18Å; V617-I663 HydrophobicContact CG2-CG2 4.46Å; L651-I663 HydrophobicContact CB-CG2 4.24Å; L651-I663 PolarHBondContact N-O 3.37Å; G652-I663 PolarHBondContact N-O 3.48Å; G652-I663 WeakPolarHBondContact O-CD1 3.36Å; G652-I663 PolarHBondContact O-N 3.22Å |
| 664 | T | 92.6 | Very high | 91 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 166 | 176.5 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | V615 A616 M639 I648 R649 Y666 F748 | V615-T664 WeakPolarHBondContact CB-O 3.5Å; A616-T664 PolarHBondContact N-O 3.11Å; A616-T664 VanDerWaalsContact N-O 3.11Å; A616-T664 PolarHBondContact O-N 3.41Å; M639-T664 HydrophobicContact CE-CG2 3.8Å; I648-T664 HydrophobicContact CG1-CG2 4.06Å; R649-T664 VanDerWaalsContact O-CA 3.28Å; R649-T664 WeakPolarHBondContact O-CA 3.4Å; R649-T664 VanDerWaalsContact O-CB 3.3Å; R649-T664 WeakPolarHBondContact O-CB 3.41Å; T664-Y666 PolarHBondContact O-N 3.14Å; T664-F748 HydrophobicContact CG2-CZ 4.43Å |
| 665 | D | 89.6 | Confident | 91.1 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 136.9 | 165.2 | -67.4 | -50.5 | 0 | 0 | 0 | 109.6 | R649 | R649-D665 WeakPolarHBondContact CB-OD2 3.33Å; R649-D665 IonicContact CZ-OD1 3.34Å; R649-D665 IonicContact CZ-OD2 2.69Å; R649-D665 IonicContact NE-OD1 3.58Å; R649-D665 IonicContact NE-OD2 2.75Å; R649-D665 PolarHBondContact NE-OD2 3.37Å; R649-D665 IonicContact NH2-OD1 3.24Å; R649-D665 PolarHBondContact NH2-OD1 2.9Å; R649-D665 IonicContact NH2-OD2 3.62Å; R649-D665 PolarHBondContact NH2-OD2 3.32Å; R649-D665 PolarHBondContact O-N 2.72Å |
| 666 | Y | 91.4 | Very high | 91.4 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | trans | -81.3 | 144.8 | 170.6 | 177.1 | -121.4 | 0 | 0 | 0 | 110.4 | L579 L589 L614 T664 E668 | L579-Y666 HydrophobicContact CD1-CD2 4.04Å; L579-Y666 HydrophobicContact CD1-CE2 3.79Å; L579-Y666 HydrophobicContact CD2-CE2 4.09Å; L589-Y666 HydrophobicContact CD1-CD1 3.89Å; L589-Y666 HydrophobicContact CD1-CD2 3.56Å; L589-Y666 HydrophobicContact CD1-CE1 4.05Å; L589-Y666 HydrophobicContact CD1-CE2 3.74Å; L589-Y666 HydrophobicContact CD1-CG 3.65Å; L589-Y666 HydrophobicContact CD2-CE1 4.45Å; L614-Y666 HydrophobicContact CB-CD1 3.84Å; L614-Y666 HydrophobicContact CB-CG 4.28Å; L614-Y666 HydrophobicContact CD1-CD1 4.04Å; L614-Y666 HydrophobicContact CD1-CE1 4.13Å; T664-Y666 PolarHBondContact O-N 3.14Å; Y666-E668 HydrophobicContact CD1-CB 4.45Å; Y666-E668 HydrophobicContact CE1-CB 3.93Å | ||
| 667 | M | 91.7 | Very high | 91.7 | Very high | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | trans | -122.9 | 96.3 | -177 | -63.8 | -64.9 | -78.4 | 0 | 0 | 108 | N669 G670 L736 V737 T742 K744 | M667-N669 VanDerWaalsContact C-N 3.25Å; M667-N669 PolarHBondContact O-N 3.07Å; M667-G670 PolarHBondContact O-N 3.15Å; M667-L736 HydrophobicContact CB-CB 3.76Å; M667-L736 HydrophobicContact CB-CD1 4.08Å; M667-L736 HydrophobicContact CE-CB 4.17Å; M667-L736 WeakPolarHBondContact CE-O 3.33Å; M667-L736 HydrophobicContact CG-CB 3.75Å; M667-L736 HydrophobicContact CG-CD1 3.95Å; M667-V737 CarbonylContact C-O 3.58Å; M667-T742 WeakPolarHBondContact CE-O 3.44Å; M667-K744 HydrophobicContact CE-CB 3.87Å; M667-K744 HydrophobicContact CE-CD 4Å; M667-K744 HydrophobicContact CE-CG 3.8Å; M667-K744 HydrophobicContact SD-CD 3.8Å; M667-K744 HydrophobicContact SD-CG 4.3Å | ||
| 668 | E | 89.1 | Confident | 91.9 | Very high | 103 Ų | 103 | 33.9 Ų | 33.9 | 48% | 0.481 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.7 | -164.9 | 57.9 | 171.8 | -153 | 0 | 0 | 115.7 | Y666 E739 | Y666-E668 HydrophobicContact CD1-CB 4.45Å; Y666-E668 HydrophobicContact CE1-CB 3.93Å; E668-E739 WeakPolarHBondContact OE1-CG 3.25Å |
| 669 | N | 91.9 | Very high | 92.1 | Very high | 65 Ų | 65 | 30.9 Ų | 30.9 | 35% | 0.348 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 13 | -176.1 | -70.4 | -59.2 | 0 | 0 | 0 | 112.7 | M667 F675 V737 G738 | M667-N669 VanDerWaalsContact C-N 3.25Å; M667-N669 PolarHBondContact O-N 3.07Å; N669-F675 HydrophobicContact CB-CD2 3.73Å; N669-F675 HydrophobicContact CB-CE2 3.79Å; N669-V737 WeakPolarHBondContact CA-O 3.45Å; N669-V737 HydrophobicContact CB-CB 3.79Å; N669-V737 HydrophobicContact CB-CG1 3.81Å; N669-V737 WeakPolarHBondContact CB-O 3.33Å; N669-V737 PolarHBondContact N-O 3.18Å; N669-G738 PolarHBondContact ND2-O 2.98Å |
| 670 | G | 90.8 | Very high | 92 | Very high | 31 Ų | 31 | 32.4 Ų | 32.4 | 32% | 0.32 | 18% | 0.178 | S | C | . | . | trans | 74.1 | -149.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M667 L736 V737 | M667-G670 PolarHBondContact O-N 3.15Å; G670-L736 CarbonylContact O-C 3.56Å; G670-L736 WeakPolarHBondContact O-CA 3.46Å; G670-V737 PolarHBondContact O-N 2.65Å | ||
| 671 | D | 91.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -86.8 | 155.1 | 172.6 | 75.8 | 68.3 | 0 | 0 | 0 | 112.5 | N673 Q674 F675 C735 L736 Y755 | D671-N673 VanDerWaalsContact C-N 3.25Å; D671-N673 PolarHBondContact O-N 3.41Å; D671-N673 WeakPolarHBondContact OD1-CA 3.39Å; D671-N673 VanDerWaalsContact OD1-CB 3.24Å; D671-N673 WeakPolarHBondContact OD1-CB 3.35Å; D671-N673 PolarHBondContact OD1-N 3.28Å; D671-Q674 PolarHBondContact O-N 2.96Å; D671-Q674 PolarHBondContact OD1-N 3.43Å; D671-Q674 WeakPolarHBondContact OD2-CG 3.36Å; D671-Q674 PolarHBondContact OD2-NE2 3.27Å; D671-F675 VanDerWaalsContact O-CB 3.29Å; D671-F675 WeakPolarHBondContact O-CB 3.27Å; D671-F675 PolarHBondContact O-N 3.48Å; D671-C735 CarbonylContact C-O 3.46Å; D671-C735 VanDerWaalsContact CA-O 3.31Å; D671-C735 WeakPolarHBondContact CA-O 3.38Å; D671-L736 HydrophobicContact CB-CD2 3.96Å; D671-Y755 PolarHBondContact OD1-OH 2.95Å |
| 672 | L | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.3 | -24.3 | -173.7 | -176.7 | 62.9 | 0 | 0 | 0 | 112.8 | F675 L676 V709 I713 T732 C735 V737 I743 V799 | L672-F675 HydrophobicContact CD1-CD1 4.41Å; L672-L676 HydrophobicContact CD1-CD1 3.79Å; L672-L676 HydrophobicContact CD1-CD2 4.29Å; L672-L676 HydrophobicContact CD1-CG 3.7Å; L672-L676 HydrophobicContact CG-CD1 3.91Å; L672-L676 HydrophobicContact CG-CG 4.18Å; L672-L676 WeakPolarHBondContact O-CB 3.39Å; L672-L676 WeakPolarHBondContact O-CG 3.43Å; L672-L676 PolarHBondContact O-N 3.1Å; L672-V709 HydrophobicContact CD1-CG1 3.9Å; L672-V709 HydrophobicContact CD2-CG1 3.74Å; L672-V709 HydrophobicContact CG-CG1 4.45Å; L672-I713 HydrophobicContact CD2-CD1 3.79Å; L672-T732 HydrophobicContact CD2-CG2 4.26Å; L672-T732 HydrophobicContact CG-CG2 4.5Å; L672-C735 HydrophobicContact CB-CB 3.89Å; L672-C735 HydrophobicContact CD2-CB 3.95Å; L672-C735 PolarHBondContact N-O 3.14Å; L672-V737 HydrophobicContact CB-CG2 3.92Å; L672-V737 HydrophobicContact CD1-CG2 3.69Å; L672-V737 HydrophobicContact CG-CG2 4.43Å; L672-I743 HydrophobicContact CD1-CD1 3.9Å; L672-I743 HydrophobicContact CD2-CD1 4.44Å; L672-V799 HydrophobicContact CD2-CG2 4.17Å |
| 673 | N | 94.1 | Very high | 90.6 | Very high | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.7 | -52.9 | 178.1 | -172.4 | -85.4 | 0 | 0 | 0 | 110.3 | D671 F675 S677 T732 R733 Y755 | D671-N673 VanDerWaalsContact C-N 3.25Å; D671-N673 PolarHBondContact O-N 3.41Å; D671-N673 WeakPolarHBondContact OD1-CA 3.39Å; D671-N673 VanDerWaalsContact OD1-CB 3.24Å; D671-N673 WeakPolarHBondContact OD1-CB 3.35Å; D671-N673 PolarHBondContact OD1-N 3.28Å; N673-F675 PolarHBondContact O-N 3.37Å; N673-S677 VanDerWaalsContact O-CB 3.3Å; N673-S677 WeakPolarHBondContact O-CB 3.4Å; N673-S677 PolarHBondContact O-N 2.76Å; N673-S677 PolarHBondContact O-OG 3.19Å; N673-T732 WeakPolarHBondContact CB-OG1 3.35Å; N673-T732 PolarHBondContact ND2-OG1 2.97Å; N673-R733 HydrophobicContact CB-CB 4.44Å; N673-Y755 HydrophobicContact CB-CE1 4.27Å; N673-Y755 VanDerWaalsContact OD1-CE1 3.23Å; N673-Y755 WeakPolarHBondContact OD1-CE1 3.31Å; N673-Y755 PolarHBondContact OD1-OH 2.71Å |
| 674 | Q | 91.8 | Very high | 89.1 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.2 | -50 | 172.8 | -65.7 | -175.5 | 52.2 | 0 | 0 | 110.8 | D671 L676 S677 A678 Y755 | D671-Q674 PolarHBondContact O-N 2.96Å; D671-Q674 PolarHBondContact OD1-N 3.43Å; D671-Q674 WeakPolarHBondContact OD2-CG 3.36Å; D671-Q674 PolarHBondContact OD2-NE2 3.27Å; Q674-L676 PolarHBondContact O-N 3.43Å; Q674-S677 PolarHBondContact O-N 3.42Å; Q674-S677 PolarHBondContact O-OG 3.24Å; Q674-A678 PolarHBondContact O-N 3.4Å; Q674-Y755 WeakPolarHBondContact CG-OH 3.47Å |
| 675 | F | 94.7 | Very high | 87.3 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.9 | -52 | -177.5 | -176 | -96.5 | 0 | 0 | 0 | 112.5 | N669 D671 L672 N673 S677 A678 H679 V737 F741 | N669-F675 HydrophobicContact CB-CD2 3.73Å; N669-F675 HydrophobicContact CB-CE2 3.79Å; D671-F675 VanDerWaalsContact O-CB 3.29Å; D671-F675 WeakPolarHBondContact O-CB 3.27Å; D671-F675 PolarHBondContact O-N 3.48Å; L672-F675 HydrophobicContact CD1-CD1 4.41Å; N673-F675 PolarHBondContact O-N 3.37Å; F675-S677 PolarHBondContact O-N 3.03Å; F675-A678 PolarHBondContact O-N 3.02Å; F675-H679 AromaticContact CD2-CE1 3.99Å; F675-H679 AromaticContact CE1-CE1 3.56Å; F675-H679 AromaticContact CE1-ND1 3.99Å; F675-H679 AromaticContact CE2-CE1 3.56Å; F675-H679 AromaticContact CZ-CE1 3.32Å; F675-H679 WeakPolarHBondContact CZ-CE1 3.43Å; F675-H679 AromaticContact CZ-NE2 3.79Å; F675-H679 PolarHBondContact O-ND1 3.29Å; F675-V737 HydrophobicContact CB-CG2 3.95Å; F675-V737 HydrophobicContact CD1-CG1 4.17Å; F675-V737 HydrophobicContact CD1-CG2 4.13Å; F675-V737 HydrophobicContact CD2-CB 4.46Å; F675-V737 HydrophobicContact CD2-CG1 4.2Å; F675-V737 HydrophobicContact CE1-CG1 4.15Å; F675-V737 HydrophobicContact CE2-CG1 4.16Å; F675-V737 HydrophobicContact CG-CB 4.32Å; F675-V737 HydrophobicContact CG-CG1 4.19Å; F675-V737 HydrophobicContact CG-CG2 3.99Å; F675-V737 HydrophobicContact CZ-CG1 4.13Å; F675-F741 AromaticContact CE1-CD1 3.67Å; F675-F741 HydrophobicContact CE1-CD1 3.67Å; F675-F741 AromaticContact CE1-CE1 3.64Å; F675-F741 HydrophobicContact CE1-CE1 3.64Å; F675-F741 AromaticContact CZ-CD1 3.82Å; F675-F741 HydrophobicContact CZ-CD1 3.82Å; F675-F741 AromaticContact CZ-CE1 3.6Å; F675-F741 HydrophobicContact CZ-CE1 3.6Å |
| 676 | L | 95.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.3 | -33.2 | 179.6 | -68.9 | 179.6 | 0 | 0 | 0 | 112.9 | L672 Q674 A678 H679 I701 L706 V799 L802 C803 | L672-L676 HydrophobicContact CD1-CD1 3.79Å; L672-L676 HydrophobicContact CD1-CD2 4.29Å; L672-L676 HydrophobicContact CD1-CG 3.7Å; L672-L676 HydrophobicContact CG-CD1 3.91Å; L672-L676 HydrophobicContact CG-CG 4.18Å; L672-L676 WeakPolarHBondContact O-CB 3.39Å; L672-L676 WeakPolarHBondContact O-CG 3.43Å; L672-L676 PolarHBondContact O-N 3.1Å; Q674-L676 PolarHBondContact O-N 3.43Å; L676-A678 PolarHBondContact O-N 3.03Å; L676-H679 PolarHBondContact O-N 3.05Å; L676-I701 HydrophobicContact CD2-CD1 3.74Å; L676-L706 HydrophobicContact CD2-CD2 3.87Å; L676-V799 HydrophobicContact CD1-CB 4.21Å; L676-V799 HydrophobicContact CD1-CG1 4.18Å; L676-V799 HydrophobicContact CD1-CG2 3.98Å; L676-L802 CarbonylContact C-O 3.45Å; L676-L802 VanDerWaalsContact C-O 3.3Å; L676-C803 HydrophobicContact CB-CB 4.34Å |
| 677 | S | 92.7 | Very high | 83.5 | Confident | 52 Ų | 52 | 63 Ų | 63 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -30.3 | 178 | 77.7 | 0 | 0 | 0 | 0 | 113.1 | N673 Q674 F675 L802 R804 | N673-S677 VanDerWaalsContact O-CB 3.3Å; N673-S677 WeakPolarHBondContact O-CB 3.4Å; N673-S677 PolarHBondContact O-N 2.76Å; N673-S677 PolarHBondContact O-OG 3.19Å; Q674-S677 PolarHBondContact O-N 3.42Å; Q674-S677 PolarHBondContact O-OG 3.24Å; F675-S677 PolarHBondContact O-N 3.03Å; S677-L802 WeakPolarHBondContact CA-O 3.49Å; S677-L802 PolarHBondContact N-O 3.26Å; S677-R804 PolarHBondContact O-NH2 2.83Å |
| 678 | A | 91.1 | Very high | 81.4 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -76 | -21.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q674 F675 L676 | Q674-A678 PolarHBondContact O-N 3.4Å; F675-A678 PolarHBondContact O-N 3.02Å; L676-A678 PolarHBondContact O-N 3.03Å |
| 679 | H | 91.9 | Very high | 79.4 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 7% | 0.069 | 39% | 0.391 | C | S | . | . | trans | -89.4 | 156.9 | -176.5 | -74.5 | 75.3 | 0 | 0 | 0 | 113.3 | F675 L676 P699 I701 L802 R804 | F675-H679 AromaticContact CD2-CE1 3.99Å; F675-H679 AromaticContact CE1-CE1 3.56Å; F675-H679 AromaticContact CE1-ND1 3.99Å; F675-H679 AromaticContact CE2-CE1 3.56Å; F675-H679 AromaticContact CZ-CE1 3.32Å; F675-H679 WeakPolarHBondContact CZ-CE1 3.43Å; F675-H679 AromaticContact CZ-NE2 3.79Å; F675-H679 PolarHBondContact O-ND1 3.29Å; L676-H679 PolarHBondContact O-N 3.05Å; H679-P699 CarbonylContact C-O 3.58Å; H679-P699 VanDerWaalsContact CA-O 3.24Å; H679-P699 WeakPolarHBondContact CA-O 3.49Å; H679-I701 HydrophobicContact CB-CB 4.3Å; H679-I701 HydrophobicContact CB-CG2 3.89Å; H679-L802 HydrophobicContact CB-CD2 4.5Å; H679-L802 WeakPolarHBondContact O-CD2 3.43Å; H679-R804 PolarHBondContact O-NH2 2.93Å | ||
| 680 | Q | 88.8 | Confident | 77.8 | Confident | 72 Ų | 72 | 68 Ų | 68 | 34% | 0.336 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 152.9 | 168.5 | -66.1 | 177.4 | 95.6 | 0 | 0 | 109.9 | P699 T700 I701 | Q680-P699 PolarHBondContact N-O 2.88Å; Q680-T700 CarbonylContact O-C 3.58Å; Q680-T700 VanDerWaalsContact O-CA 3.28Å; Q680-T700 WeakPolarHBondContact O-CA 3.44Å; Q680-I701 PolarHBondContact O-N 3.14Å |
| 681 | L | 87.7 | Confident | 75.6 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 37% | 0.372 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 135.3 | 174.4 | -170.7 | 72.5 | 0 | 0 | 0 | 109.3 | D683 L706 L802 A838 | L681-D683 PolarHBondContact O-N 2.98Å; L681-L706 HydrophobicContact CD1-CD1 3.7Å; L681-L802 HydrophobicContact CB-CD2 4.47Å; L681-A838 HydrophobicContact CD2-CB 3.87Å |
| 682 | E | 84.8 | Confident | 73.4 | Confident | 91 Ų | 91 | 77.3 Ų | 77.3 | 43% | 0.425 | 48% | 0.475 | S | S | . | . | trans | -61.6 | 118.2 | 174.8 | -178.5 | -179.1 | -110.3 | 0 | 0 | 111.6 | I701 S702 | E682-I701 PolarHBondContact N-O 2.88Å; E682-S702 WeakPolarHBondContact OE2-CB 3.49Å | ||
| 683 | D | 72.5 | Confident | 71.2 | Confident | 109 Ų | 109 | 80.5 Ų | 80.5 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | trans | -94 | 101 | 178.1 | -170.5 | -6.5 | 0 | 0 | 0 | 111.5 | L681 A685 A686 | L681-D683 PolarHBondContact O-N 2.98Å; D683-A685 PolarHBondContact O-N 3.49Å; D683-A685 VanDerWaalsContact O-N 3.08Å; D683-A685 VanDerWaalsContact OD1-CB 3.28Å; D683-A685 WeakPolarHBondContact OD1-CB 3.3Å; D683-A685 PolarHBondContact OD1-N 2.81Å; D683-A686 WeakPolarHBondContact O-CB 3.28Å; D683-A686 PolarHBondContact O-N 2.95Å; D683-A686 VanDerWaalsContact O-N 3.08Å | ||
| 684 | K | 62.6 | Low | 68.9 | Low | 142 Ų | 142 | 88.8 Ų | 88.8 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -9.1 | 176.7 | -65.6 | -173.9 | 177.9 | -178.5 | 0 | 114.1 | ||
| 685 | A | 53.7 | Low | 66.9 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 69% | 0.694 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -15.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D683 | D683-A685 PolarHBondContact O-N 3.49Å; D683-A685 VanDerWaalsContact O-N 3.08Å; D683-A685 VanDerWaalsContact OD1-CB 3.28Å; D683-A685 WeakPolarHBondContact OD1-CB 3.3Å; D683-A685 PolarHBondContact OD1-N 2.81Å |
| 686 | A | 54.2 | Low | 64.8 | Low | 65 Ų | 65 | 90.3 Ų | 90.3 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -81 | -18.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D683 G688 | D683-A686 WeakPolarHBondContact O-CB 3.28Å; D683-A686 PolarHBondContact O-N 2.95Å; D683-A686 VanDerWaalsContact O-N 3.08Å; A686-G688 PolarHBondContact O-N 2.8Å |
| 687 | E | 47.4 | Very low | 63 | Low | 185 Ų | 185 | 100 Ų | 100 | 86% | 0.864 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -65.9 | -8.8 | -173.7 | -61.9 | -166.8 | 124.1 | 0 | 0 | 114.9 | ||
| 688 | G | 47.7 | Very low | 61.8 | Low | 71 Ų | 71 | 98.8 Ų | 98.8 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -104.5 | -3.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117 | A686 P690 | A686-G688 PolarHBondContact O-N 2.8Å; G688-P690 WeakPolarHBondContact O-CD 3.47Å |
| 689 | A | 47.4 | Very low | 61.5 | Low | 82 Ų | 82 | 99.3 Ų | 99.3 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | trans | -116.4 | 102.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G691 | A689-G691 PolarHBondContact O-N 2.83Š| ||
| 690 | P | 57.3 | Low | 61.4 | Low | 134 Ų | 134 | 102.5 Ų | 102.5 | 87% | 0.87 | 64% | 0.64 | S | S | * | * | trans | -78.8 | 103.3 | 167.1 | 31.2 | -30.9 | 0 | 0 | 0 | 109.8 | G688 | G688-P690 WeakPolarHBondContact O-CD 3.47Š| ||
| 691 | G | 45 | Very low | 61.5 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | trans | -155.8 | 127.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A689 | A689-G691 PolarHBondContact O-N 2.83Š| ||
| 692 | D | 46 | Very low | 61.7 | Low | 174 Ų | 174 | 97.2 Ų | 97.2 | 93% | 0.93 | 62% | 0.617 | S | S | * | * | trans | -60.5 | 146.7 | -176.1 | -57.6 | -75 | 0 | 0 | 0 | 114.8 | ||||
| 693 | G | 48.3 | Very low | 62 | Low | 68 Ų | 68 | 94.3 Ų | 94.3 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 121.9 | 96.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 694 | Q | 46.1 | Very low | 63 | Low | 199 Ų | 199 | 91.2 Ų | 91.2 | 93% | 0.93 | 59% | 0.588 | S | S | * | * | trans | 53.1 | 65 | 155.1 | -67 | 163.4 | -10.3 | 0 | 0 | 115.3 | A696 | Q694-A696 PolarHBondContact O-N 3.47Š| ||
| 695 | A | 49.1 | Very low | 64.5 | Low | 87 Ų | 87 | 86.9 Ų | 86.9 | 72% | 0.719 | 57% | 0.57 | S | S | * | * | trans | -49.1 | 135.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q697 | A695-Q697 VanDerWaalsContact O-CG 3.29Å; A695-Q697 WeakPolarHBondContact O-CG 3.4Å; A695-Q697 PolarHBondContact O-N 2.76Å; A695-Q697 VanDerWaalsContact O-N 3.13Å | ||
| 696 | A | 51.5 | Low | 66.4 | Low | 69 Ų | 69 | 82.9 Ų | 82.9 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | trans | -64.4 | 111.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q694 G698 | Q694-A696 PolarHBondContact O-N 3.47Å; A696-G698 PolarHBondContact O-N 2.91Å | ||
| 697 | Q | 56.2 | Low | 68.4 | Low | 204 Ų | 204 | 79.8 Ų | 79.8 | 95% | 0.953 | 51% | 0.512 | S | S | * | . | trans | -78.4 | 41.7 | -162.1 | -57.5 | -175.3 | -23.7 | 0 | 0 | 115.2 | A695 | A695-Q697 VanDerWaalsContact O-CG 3.29Å; A695-Q697 WeakPolarHBondContact O-CG 3.4Å; A695-Q697 PolarHBondContact O-N 2.76Å; A695-Q697 VanDerWaalsContact O-N 3.13Å | ||
| 698 | G | 67.5 | Low | 70.7 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 26% | 0.258 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -119.9 | 147.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A696 | A696-G698 PolarHBondContact O-N 2.91Š|
| 699 | P | 85.6 | Confident | 73 | Confident | 69 Ų | 69 | 72 Ų | 72 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | trans | -62.8 | 147.7 | 174.5 | 28.7 | -35.8 | 0 | 0 | 0 | 111.5 | H679 Q680 | H679-P699 CarbonylContact C-O 3.58Å; H679-P699 VanDerWaalsContact CA-O 3.24Å; H679-P699 WeakPolarHBondContact CA-O 3.49Å; Q680-P699 PolarHBondContact N-O 2.88Å | ||
| 700 | T | 89.3 | Confident | 75.4 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 148.9 | 177.3 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | Q680 | Q680-T700 CarbonylContact O-C 3.58Å; Q680-T700 VanDerWaalsContact O-CA 3.28Å; Q680-T700 WeakPolarHBondContact O-CA 3.44Å |
| 701 | I | 92.2 | Very high | 77.4 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.1 | 171.1 | -168.2 | 167.8 | 0 | 0 | 0 | 109.7 | L676 H679 Q680 E682 M705 L706 F741 L802 | L676-I701 HydrophobicContact CD2-CD1 3.74Å; H679-I701 HydrophobicContact CB-CB 4.3Å; H679-I701 HydrophobicContact CB-CG2 3.89Å; Q680-I701 PolarHBondContact O-N 3.14Å; E682-I701 PolarHBondContact N-O 2.88Å; I701-M705 HydrophobicContact CD1-CB 4.38Å; I701-M705 HydrophobicContact CD1-CG 4.04Å; I701-M705 HydrophobicContact CG1-CB 3.85Å; I701-M705 HydrophobicContact CG1-CG 3.92Å; I701-L706 HydrophobicContact CD1-CD2 3.83Å; I701-L706 HydrophobicContact CD1-CG 4.46Å; I701-L706 HydrophobicContact CG1-CD2 4.29Å; I701-L706 HydrophobicContact CG1-CG 4.45Å; I701-L706 HydrophobicContact CG2-CD2 4.06Å; I701-L706 HydrophobicContact CG2-CG 4.38Å; I701-F741 HydrophobicContact CD1-CD1 4.01Å; I701-F741 HydrophobicContact CD1-CE1 3.74Å; I701-F741 HydrophobicContact CG1-CE1 4.13Å; I701-L802 HydrophobicContact CG2-CD2 3.9Å |
| 702 | S | 91.9 | Very high | 79.9 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | trans | -81.9 | 152.3 | -178.5 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | E682 M705 L706 | E682-S702 WeakPolarHBondContact OE2-CB 3.49Å; S702-M705 WeakPolarHBondContact O-CA 3.48Å; S702-M705 WeakPolarHBondContact O-CB 3.38Å; S702-M705 PolarHBondContact O-N 3.37Å; S702-M705 PolarHBondContact OG-N 2.89Å; S702-L706 PolarHBondContact O-N 2.7Å | ||
| 703 | Y | 90.6 | Very high | 82.4 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 12% | 0.122 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 176.9 | 176.4 | -100.4 | 0 | 0 | 0 | 113.6 | M705 L706 L707 L800 A838 P840 L843 V876 | Y703-M705 PolarHBondContact O-N 3.27Å; Y703-L706 WeakPolarHBondContact O-CB 3.46Å; Y703-L706 PolarHBondContact O-N 2.77Å; Y703-L706 VanDerWaalsContact O-N 3.15Å; Y703-L707 HydrophobicContact CD1-CD1 4.22Å; Y703-L707 HydrophobicContact CE1-CD1 3.56Å; Y703-L707 HydrophobicContact CE1-CD2 4.47Å; Y703-L707 HydrophobicContact CE1-CG 3.96Å; Y703-L707 HydrophobicContact CE2-CG 4.47Å; Y703-L707 PolarHBondContact O-N 2.82Å; Y703-L800 HydrophobicContact CD2-CD2 4.28Å; Y703-L800 HydrophobicContact CE2-CD2 3.84Å; Y703-A838 WeakPolarHBondContact CD2-O 3.45Å; Y703-A838 WeakPolarHBondContact CE2-O 3.4Å; Y703-P840 HydrophobicContact CE1-CG 4.45Å; Y703-P840 WeakPolarHBondContact OH-CD 3.48Å; Y703-P840 WeakPolarHBondContact OH-CG 3.48Å; Y703-L843 VanDerWaalsContact OH-CD2 3.26Å; Y703-L843 WeakPolarHBondContact OH-CD2 3.23Å; Y703-V876 HydrophobicContact CD1-CG1 3.97Å; Y703-V876 HydrophobicContact CD1-CG2 3.75Å; Y703-V876 HydrophobicContact CE1-CG2 3.56Å |
| 704 | P | 92.5 | Very high | 84.8 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 29% | 0.286 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.8 | -34.5 | 168.9 | -28.7 | 37 | 0 | 0 | 0 | 114.2 | L707 H708 L873 V876 | P704-L707 PolarHBondContact O-N 3Å; P704-H708 PolarHBondContact O-N 2.91Å; P704-L873 HydrophobicContact CB-CD1 4.07Å; P704-V876 HydrophobicContact CG-CG1 4.03Å |
| 705 | M | 94.1 | Very high | 87.2 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.7 | -35.9 | 176.8 | -167.3 | 58.7 | 71.3 | 0 | 0 | 112 | I701 S702 Y703 L707 H708 V709 F741 | I701-M705 HydrophobicContact CD1-CB 4.38Å; I701-M705 HydrophobicContact CD1-CG 4.04Å; I701-M705 HydrophobicContact CG1-CB 3.85Å; I701-M705 HydrophobicContact CG1-CG 3.92Å; S702-M705 WeakPolarHBondContact O-CA 3.48Å; S702-M705 WeakPolarHBondContact O-CB 3.38Å; S702-M705 PolarHBondContact O-N 3.37Å; S702-M705 PolarHBondContact OG-N 2.89Å; Y703-M705 PolarHBondContact O-N 3.27Å; M705-L707 VanDerWaalsContact C-N 3.33Å; M705-L707 PolarHBondContact O-N 2.87Å; M705-H708 PolarHBondContact O-N 2.94Å; M705-H708 HydrophobicContact SD-CB 4.16Å; M705-V709 WeakPolarHBondContact O-CG2 3.48Å; M705-V709 PolarHBondContact O-N 3.4Å; M705-F741 HydrophobicContact CE-CD2 3.73Å; M705-F741 HydrophobicContact CE-CE2 4.12Å; M705-F741 HydrophobicContact CE-CG 4.32Å; M705-F741 HydrophobicContact CG-CB 4.21Å; M705-F741 HydrophobicContact CG-CD1 3.8Å; M705-F741 HydrophobicContact CG-CD2 3.94Å; M705-F741 HydrophobicContact CG-CE1 4.11Å; M705-F741 HydrophobicContact CG-CE2 4.25Å; M705-F741 HydrophobicContact CG-CG 3.72Å; M705-F741 HydrophobicContact CG-CZ 4.33Å; M705-F741 HydrophobicContact SD-CB 3.63Å; M705-F741 HydrophobicContact SD-CD1 4.31Å; M705-F741 HydrophobicContact SD-CD2 3.66Å; M705-F741 HydrophobicContact SD-CE2 4.41Å; M705-F741 HydrophobicContact SD-CG 3.62Å |
| 706 | L | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 170.6 | -64.8 | 174.7 | 0 | 0 | 0 | 111.8 | L676 L681 I701 S702 Y703 A710 V799 L800 L802 | L676-L706 HydrophobicContact CD2-CD2 3.87Å; L681-L706 HydrophobicContact CD1-CD1 3.7Å; I701-L706 HydrophobicContact CD1-CD2 3.83Å; I701-L706 HydrophobicContact CD1-CG 4.46Å; I701-L706 HydrophobicContact CG1-CD2 4.29Å; I701-L706 HydrophobicContact CG1-CG 4.45Å; I701-L706 HydrophobicContact CG2-CD2 4.06Å; I701-L706 HydrophobicContact CG2-CG 4.38Å; S702-L706 PolarHBondContact O-N 2.7Å; Y703-L706 WeakPolarHBondContact O-CB 3.46Å; Y703-L706 PolarHBondContact O-N 2.77Å; Y703-L706 VanDerWaalsContact O-N 3.15Å; L706-A710 WeakPolarHBondContact O-CB 3.39Å; L706-A710 PolarHBondContact O-N 3.22Å; L706-V799 HydrophobicContact CB-CG1 4.14Å; L706-V799 HydrophobicContact CD2-CG1 3.92Å; L706-L800 HydrophobicContact CB-CD2 4.16Å; L706-L800 HydrophobicContact CD1-CD2 4.33Å; L706-L802 HydrophobicContact CD1-CD1 4.12Å |
| 707 | L | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 171.3 | -69.6 | -179.7 | 0 | 0 | 0 | 112.2 | Y703 P704 M705 A710 A711 L843 L868 A872 L873 V876 | Y703-L707 HydrophobicContact CD1-CD1 4.22Å; Y703-L707 HydrophobicContact CE1-CD1 3.56Å; Y703-L707 HydrophobicContact CE1-CD2 4.47Å; Y703-L707 HydrophobicContact CE1-CG 3.96Å; Y703-L707 HydrophobicContact CE2-CG 4.47Å; Y703-L707 PolarHBondContact O-N 2.82Å; P704-L707 PolarHBondContact O-N 3Å; M705-L707 VanDerWaalsContact C-N 3.33Å; M705-L707 PolarHBondContact O-N 2.87Å; L707-A710 PolarHBondContact O-N 2.94Å; L707-A711 WeakPolarHBondContact O-CB 3.32Å; L707-A711 PolarHBondContact O-N 2.75Å; L707-L843 HydrophobicContact CD2-CD2 3.8Å; L707-L868 HydrophobicContact CD2-CD2 3.84Å; L707-A872 HydrophobicContact CD1-CB 3.87Å; L707-A872 HydrophobicContact CD2-CB 4.1Å; L707-L873 HydrophobicContact CB-CD1 4.44Å; L707-L873 HydrophobicContact CD1-CD1 4.06Å; L707-V876 HydrophobicContact CD1-CG2 4.25Å |
| 708 | H | 95.3 | Very high | 93.7 | Very high | 92 Ų | 92 | 26 Ų | 26 | 43% | 0.426 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.1 | -43 | 177.2 | -175.7 | 61 | 0 | 0 | 0 | 112.5 | P704 M705 A711 Q712 | P704-H708 PolarHBondContact O-N 2.91Å; M705-H708 PolarHBondContact O-N 2.94Å; M705-H708 HydrophobicContact SD-CB 4.16Å; H708-A711 PolarHBondContact O-N 3.13Å; H708-Q712 PolarHBondContact CD2-NE2 3.47Å; H708-Q712 PolarHBondContact NE2-NE2 2.65Å; H708-Q712 WeakPolarHBondContact O-CG 3.33Å; H708-Q712 PolarHBondContact O-N 3.41Å; H708-Q712 VanDerWaalsContact O-N 3.08Å; H708-Q712 PolarHBondContact O-NE2 2.92Å |
| 709 | V | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.9 | -48.9 | 171.4 | 163.1 | 0 | 0 | 0 | 0 | 110.7 | L672 M705 Q712 I713 F741 I743 V799 | L672-V709 HydrophobicContact CD1-CG1 3.9Å; L672-V709 HydrophobicContact CD2-CG1 3.74Å; L672-V709 HydrophobicContact CG-CG1 4.45Å; M705-V709 WeakPolarHBondContact O-CG2 3.48Å; M705-V709 PolarHBondContact O-N 3.4Å; V709-Q712 PolarHBondContact O-N 2.97Å; V709-I713 HydrophobicContact CG1-CD1 4.44Å; V709-I713 WeakPolarHBondContact O-CG1 3.36Å; V709-I713 PolarHBondContact O-N 2.71Å; V709-F741 HydrophobicContact CG2-CB 4.44Å; V709-I743 HydrophobicContact CB-CG1 4.29Å; V709-I743 HydrophobicContact CG1-CD1 4.14Å; V709-I743 HydrophobicContact CG1-CG1 4.05Å; V709-I743 HydrophobicContact CG2-CD1 4.14Å; V709-I743 HydrophobicContact CG2-CG1 4.17Å; V709-V799 HydrophobicContact CG1-CG1 4.23Å; V709-V799 HydrophobicContact CG1-CG2 4.28Å |
| 710 | A | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | L706 L707 Q712 I713 A714 L796 L868 | L706-A710 WeakPolarHBondContact O-CB 3.39Å; L706-A710 PolarHBondContact O-N 3.22Å; L707-A710 PolarHBondContact O-N 2.94Å; A710-Q712 VanDerWaalsContact C-N 3.33Å; A710-Q712 PolarHBondContact O-N 3.14Å; A710-I713 PolarHBondContact O-N 2.91Å; A710-A714 PolarHBondContact O-N 3.19Å; A710-L796 HydrophobicContact CB-CD1 3.45Å; A710-L796 VanDerWaalsContact CB-CD1 3.45Å; A710-L868 HydrophobicContact CB-CD1 4.02Å; A710-L868 HydrophobicContact CB-CD2 4.16Å |
| 711 | A | 97.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 21 Ų | 21 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L707 H708 A714 S715 L868 A869 | L707-A711 WeakPolarHBondContact O-CB 3.32Å; L707-A711 PolarHBondContact O-N 2.75Å; H708-A711 PolarHBondContact O-N 3.13Å; A711-A714 PolarHBondContact O-N 2.75Å; A711-S715 PolarHBondContact O-N 2.72Å; A711-L868 HydrophobicContact CB-CB 3.92Å; A711-A869 HydrophobicContact CB-CB 4.44Å |
| 712 | Q | 98.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 25.7 Ų | 25.7 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 173.3 | -75.8 | -178.2 | 86.4 | 0 | 0 | 112.3 | N646 H708 V709 A710 A714 S715 G716 F741 I743 | N646-Q712 VanDerWaalsContact CB-O 3.29Å; N646-Q712 WeakPolarHBondContact CB-O 3.39Å; N646-Q712 WeakPolarHBondContact ND2-CB 3.32Å; N646-Q712 WeakPolarHBondContact ND2-CG 3.36Å; N646-Q712 PolarHBondContact ND2-OE1 3.15Å; N646-Q712 VanDerWaalsContact ND2-OE1 3.09Å; H708-Q712 PolarHBondContact CD2-NE2 3.47Å; H708-Q712 PolarHBondContact NE2-NE2 2.65Å; H708-Q712 WeakPolarHBondContact O-CG 3.33Å; H708-Q712 PolarHBondContact O-N 3.41Å; H708-Q712 VanDerWaalsContact O-N 3.08Å; H708-Q712 PolarHBondContact O-NE2 2.92Å; V709-Q712 PolarHBondContact O-N 2.97Å; A710-Q712 VanDerWaalsContact C-N 3.33Å; A710-Q712 PolarHBondContact O-N 3.14Å; Q712-A714 VanDerWaalsContact C-N 3.34Å; Q712-A714 PolarHBondContact O-N 2.83Å; Q712-S715 VanDerWaalsContact O-CB 3.27Å; Q712-S715 WeakPolarHBondContact O-CB 3.49Å; Q712-S715 PolarHBondContact O-N 3.47Å; Q712-S715 VanDerWaalsContact O-N 3.13Å; Q712-G716 PolarHBondContact O-N 3.25Å; Q712-F741 PolarHBondContact NE2-O 2.92Å; Q712-I743 HydrophobicContact CB-CB 3.99Å; Q712-I743 HydrophobicContact CB-CG1 4.31Å |
| 713 | I | 98.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.2 | -60.1 | 167.7 | 0 | 0 | 0 | 110.1 | L672 V709 A710 S715 G716 M717 L730 I743 I745 F792 T795 | L672-I713 HydrophobicContact CD2-CD1 3.79Å; V709-I713 HydrophobicContact CG1-CD1 4.44Å; V709-I713 WeakPolarHBondContact O-CG1 3.36Å; V709-I713 PolarHBondContact O-N 2.71Å; A710-I713 PolarHBondContact O-N 2.91Å; I713-S715 VanDerWaalsContact C-N 3.26Å; I713-S715 PolarHBondContact O-N 3.07Å; I713-G716 PolarHBondContact O-N 3.35Å; I713-M717 HydrophobicContact CG2-CG 4.43Å; I713-M717 WeakPolarHBondContact O-CB 3.41Å; I713-M717 WeakPolarHBondContact O-CG 3.31Å; I713-M717 PolarHBondContact O-N 3.16Å; I713-L730 HydrophobicContact CG2-CD1 4.14Å; I713-I743 HydrophobicContact CG1-CG2 3.81Å; I713-I745 HydrophobicContact CG2-CD1 3.97Å; I713-I745 HydrophobicContact CG2-CG1 4.45Å; I713-F792 HydrophobicContact CB-CE2 4.04Å; I713-F792 HydrophobicContact CG2-CD2 3.85Å; I713-F792 HydrophobicContact CG2-CE2 3.8Å; I713-T795 HydrophobicContact CD1-CG2 4.1Å |
| 714 | A | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -31.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A710 A711 Q712 R718 F792 L864 H865 L868 | A710-A714 PolarHBondContact O-N 3.19Å; A711-A714 PolarHBondContact O-N 2.75Å; Q712-A714 VanDerWaalsContact C-N 3.34Å; Q712-A714 PolarHBondContact O-N 2.83Å; A714-R718 WeakPolarHBondContact O-CB 3.48Å; A714-R718 PolarHBondContact O-N 2.88Å; A714-F792 HydrophobicContact CB-CE2 3.9Å; A714-F792 HydrophobicContact CB-CZ 3.84Å; A714-L864 HydrophobicContact CB-CB 4.41Å; A714-H865 HydrophobicContact CB-CB 3.93Å; A714-L868 HydrophobicContact CB-CD1 4.24Å |
| 715 | S | 98.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 8% | 0.077 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -51.9 | 173.9 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | N646 A711 Q712 I713 M717 R718 Y719 | N646-S715 WeakPolarHBondContact OD1-CB 3.49Å; N646-S715 PolarHBondContact OD1-OG 3.27Å; A711-S715 PolarHBondContact O-N 2.72Å; Q712-S715 VanDerWaalsContact O-CB 3.27Å; Q712-S715 WeakPolarHBondContact O-CB 3.49Å; Q712-S715 PolarHBondContact O-N 3.47Å; Q712-S715 VanDerWaalsContact O-N 3.13Å; I713-S715 VanDerWaalsContact C-N 3.26Å; I713-S715 PolarHBondContact O-N 3.07Å; S715-M717 PolarHBondContact O-N 2.79Å; S715-R718 WeakPolarHBondContact O-CB 3.41Å; S715-R718 PolarHBondContact O-N 3.48Å; S715-R718 PolarHBondContact OG-NH2 3.34Å; S715-Y719 PolarHBondContact O-N 3.03Å |
| 716 | G | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q712 I713 R718 Y719 L720 | Q712-G716 PolarHBondContact O-N 3.25Å; I713-G716 PolarHBondContact O-N 3.35Å; G716-R718 PolarHBondContact O-N 3.29Å; G716-Y719 WeakPolarHBondContact O-CB 3.37Å; G716-Y719 PolarHBondContact O-N 3.27Å; G716-Y719 VanDerWaalsContact O-N 3.09Å; G716-L720 PolarHBondContact O-N 2.87Å |
| 717 | M | 97.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.3 | -33 | 177 | -68.3 | -54.4 | -58.8 | 0 | 0 | 113.5 | I713 S715 Y719 L720 A721 H727 L730 I745 D788 F861 | I713-M717 HydrophobicContact CG2-CG 4.43Å; I713-M717 WeakPolarHBondContact O-CB 3.41Å; I713-M717 WeakPolarHBondContact O-CG 3.31Å; I713-M717 PolarHBondContact O-N 3.16Å; S715-M717 PolarHBondContact O-N 2.79Å; M717-Y719 VanDerWaalsContact C-N 3.32Å; M717-L720 HydrophobicContact CE-CD1 4.45Å; M717-L720 PolarHBondContact O-N 2.78Å; M717-L720 HydrophobicContact SD-CD1 3.92Å; M717-A721 VanDerWaalsContact O-CB 3.3Å; M717-A721 WeakPolarHBondContact O-CB 3.46Å; M717-A721 PolarHBondContact O-N 2.92Å; M717-H727 HydrophobicContact CE-CB 3.9Å; M717-H727 HydrophobicContact SD-CB 4.31Å; M717-L730 HydrophobicContact CE-CD2 4.08Å; M717-L730 HydrophobicContact CG-CD1 4.22Å; M717-L730 HydrophobicContact CG-CD2 3.66Å; M717-L730 HydrophobicContact SD-CD1 3.87Å; M717-L730 HydrophobicContact SD-CD2 3.84Å; M717-L730 HydrophobicContact SD-CG 4.36Å; M717-I745 HydrophobicContact CG-CD1 3.63Å; M717-I745 HydrophobicContact SD-CD1 3.73Å; M717-D788 HydrophobicContact CE-CB 3.74Å; M717-F861 HydrophobicContact CB-CD1 3.51Å; M717-F861 HydrophobicContact CB-CD2 3.99Å; M717-F861 HydrophobicContact CB-CE1 3.37Å; M717-F861 HydrophobicContact CB-CE2 3.87Å; M717-F861 HydrophobicContact CB-CG 3.82Å; M717-F861 HydrophobicContact CB-CZ 3.57Å; M717-F861 HydrophobicContact CE-CE2 4.06Å; M717-F861 HydrophobicContact CE-CZ 3.87Å; M717-F861 HydrophobicContact CG-CD1 4.49Å; M717-F861 HydrophobicContact CG-CE1 3.94Å; M717-F861 HydrophobicContact CG-CZ 4.04Å |
| 718 | R | 97.2 | Very high | 92.9 | Very high | 79 Ų | 79 | 29.5 Ų | 29.5 | 30% | 0.298 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60 | -41.9 | 168.4 | 172.4 | -172.3 | 62.6 | -158.9 | -9.9 | 111.1 | A714 S715 G716 A721 T722 F861 H865 | A714-R718 WeakPolarHBondContact O-CB 3.48Å; A714-R718 PolarHBondContact O-N 2.88Å; S715-R718 WeakPolarHBondContact O-CB 3.41Å; S715-R718 PolarHBondContact O-N 3.48Å; S715-R718 PolarHBondContact OG-NH2 3.34Å; G716-R718 PolarHBondContact O-N 3.29Å; R718-A721 PolarHBondContact O-N 3.18Å; R718-T722 PolarHBondContact O-N 3.32Å; R718-F861 HydrophobicContact CB-CB 3.8Å; R718-H865 PolarHBondContact NH1-CD2 2.86Å; R718-H865 VanDerWaalsContact NH1-CD2 3.27Å; R718-H865 PolarHBondContact NH1-CE1 3.46Å; R718-H865 VanDerWaalsContact NH1-CG 3.28Å; R718-H865 PolarHBondContact NH1-ND1 3.02Å; R718-H865 PolarHBondContact NH1-NE2 2.98Å; R718-H865 PolarHBondContact NH2-CD2 2.65Å; R718-H865 PolarHBondContact NH2-NE2 2.58Å |
| 719 | Y | 95.3 | Very high | 92.7 | Very high | 45 Ų | 45 | 25.2 Ų | 25.2 | 18% | 0.176 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66 | -44.3 | 176.9 | 173.4 | -92.5 | 0 | 0 | 0 | 112.4 | R641 L642 K643 D644 I647 S715 G716 M717 A721 T722 L723 | R641-Y719 PolarHBondContact O-OH 3.43Å; L642-Y719 HydrophobicContact CD2-CE1 4.17Å; K643-Y719 PolarHBondContact N-OH 3.11Å; D644-Y719 HydrophobicContact CB-CD1 3.61Å; D644-Y719 HydrophobicContact CB-CD2 3.78Å; D644-Y719 HydrophobicContact CB-CE1 3.94Å; D644-Y719 HydrophobicContact CB-CE2 4.09Å; D644-Y719 HydrophobicContact CB-CG 3.52Å; I647-Y719 HydrophobicContact CG1-CD1 4.08Å; S715-Y719 PolarHBondContact O-N 3.03Å; G716-Y719 WeakPolarHBondContact O-CB 3.37Å; G716-Y719 PolarHBondContact O-N 3.27Å; G716-Y719 VanDerWaalsContact O-N 3.09Å; M717-Y719 VanDerWaalsContact C-N 3.32Å; Y719-A721 VanDerWaalsContact C-N 3.28Å; Y719-A721 PolarHBondContact O-N 3.12Å; Y719-T722 PolarHBondContact O-N 2.96Å; Y719-T722 PolarHBondContact O-OG1 3.47Å; Y719-L723 HydrophobicContact CD1-CD1 4.32Å; Y719-L723 HydrophobicContact CE1-CD1 3.62Å; Y719-L723 HydrophobicContact CE1-CG 4.4Å; Y719-L723 PolarHBondContact O-N 2.9Å |
| 720 | L | 91.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 173.7 | -62.4 | -174 | 0 | 0 | 0 | 111.3 | L642 I647 G716 M717 T722 L723 N724 F725 H727 | L642-L720 HydrophobicContact CD1-CD2 4.5Å; L642-L720 HydrophobicContact CD2-CD2 3.74Å; I647-L720 HydrophobicContact CD1-CD1 4.03Å; I647-L720 HydrophobicContact CD1-CD2 4.05Å; I647-L720 HydrophobicContact CD1-CG 3.89Å; I647-L720 HydrophobicContact CG1-CD2 4.28Å; G716-L720 PolarHBondContact O-N 2.87Å; M717-L720 HydrophobicContact CE-CD1 4.45Å; M717-L720 PolarHBondContact O-N 2.78Å; M717-L720 HydrophobicContact SD-CD1 3.92Å; L720-T722 PolarHBondContact O-N 3.06Å; L720-L723 WeakPolarHBondContact O-CB 3.39Å; L720-L723 PolarHBondContact O-N 3.47Å; L720-N724 PolarHBondContact O-N 3.05Å; L720-F725 CarbonylContact C-O 3.55Å; L720-F725 HydrophobicContact CB-CB 4.49Å; L720-F725 HydrophobicContact CB-CD1 4.05Å; L720-F725 HydrophobicContact CD1-CD1 4.05Å; L720-F725 HydrophobicContact CD1-CE1 4.16Å; L720-F725 HydrophobicContact CD2-CD1 3.72Å; L720-F725 HydrophobicContact CD2-CE1 3.93Å; L720-F725 HydrophobicContact CG-CD1 4.13Å; L720-F725 WeakPolarHBondContact O-CB 3.47Å; L720-F725 PolarHBondContact O-N 2.74Å; L720-H727 HydrophobicContact CD1-CB 4.46Å |
| 721 | A | 89.7 | Confident | 92.4 | Very high | 26 Ų | 26 | 25 Ų | 25 | 22% | 0.215 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M717 R718 Y719 L723 N724 T785 F861 | M717-A721 VanDerWaalsContact O-CB 3.3Å; M717-A721 WeakPolarHBondContact O-CB 3.46Å; M717-A721 PolarHBondContact O-N 2.92Å; R718-A721 PolarHBondContact O-N 3.18Å; Y719-A721 VanDerWaalsContact C-N 3.28Å; Y719-A721 PolarHBondContact O-N 3.12Å; A721-L723 VanDerWaalsContact C-N 3.27Å; A721-L723 PolarHBondContact O-N 2.85Å; A721-N724 WeakPolarHBondContact O-CA 3.39Å; A721-N724 PolarHBondContact O-N 3.24Å; A721-T785 HydrophobicContact CB-CG2 3.59Å; A721-F861 HydrophobicContact CB-CD2 4.19Å |
| 722 | T | 89.4 | Confident | 92.3 | Very high | 101 Ų | 101 | 24.6 Ų | 24.6 | 62% | 0.62 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -69.5 | -25.2 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | R718 Y719 L720 N724 | R718-T722 PolarHBondContact O-N 3.32Å; Y719-T722 PolarHBondContact O-N 2.96Å; Y719-T722 PolarHBondContact O-OG1 3.47Å; L720-T722 PolarHBondContact O-N 3.06Å; T722-N724 PolarHBondContact O-N 3.5Å |
| 723 | L | 85.1 | Confident | 92.1 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 22% | 0.215 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7.9 | 169.2 | -62.1 | -178.4 | 0 | 0 | 0 | 113.2 | P552 L642 Y719 L720 A721 F725 | P552-L723 WeakPolarHBondContact CG-O 3.25Å; L642-L723 HydrophobicContact CD2-CD1 3.86Å; Y719-L723 HydrophobicContact CD1-CD1 4.32Å; Y719-L723 HydrophobicContact CE1-CD1 3.62Å; Y719-L723 HydrophobicContact CE1-CG 4.4Å; Y719-L723 PolarHBondContact O-N 2.9Å; L720-L723 WeakPolarHBondContact O-CB 3.39Å; L720-L723 PolarHBondContact O-N 3.47Å; A721-L723 VanDerWaalsContact C-N 3.27Å; A721-L723 PolarHBondContact O-N 2.85Å; L723-F725 VanDerWaalsContact C-N 3.28Å; L723-F725 HydrophobicContact CB-CB 4.09Å |
| 724 | N | 81.6 | Confident | 91.8 | Very high | 109 Ų | 109 | 24.5 Ų | 24.5 | 58% | 0.583 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 22.9 | -166.8 | -57.2 | -89.8 | 0 | 0 | 0 | 114.2 | P552 L720 A721 T722 | P552-N724 HydrophobicContact CB-CB 3.66Å; P552-N724 WeakPolarHBondContact CB-O 3.03Å; P552-N724 HydrophobicContact CG-CB 3.97Å; P552-N724 WeakPolarHBondContact CG-O 3.37Å; L720-N724 PolarHBondContact O-N 3.05Å; A721-N724 WeakPolarHBondContact O-CA 3.39Å; A721-N724 PolarHBondContact O-N 3.24Å; T722-N724 PolarHBondContact O-N 3.5Å |
| 725 | F | 83.2 | Confident | 91.6 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 4% | 0.044 | 13% | 0.125 | C | C | . | . | trans | -96.1 | 132.3 | -171.4 | -177.9 | -87.5 | 0 | 0 | 0 | 110.8 | Y549 A550 I638 L642 L720 L723 | Y549-F725 VanDerWaalsContact CB-CZ 3.4Å; Y549-F725 HydrophobicContact CD1-CD1 4.5Å; Y549-F725 AromaticContact CD1-CE1 3.32Å; Y549-F725 HydrophobicContact CD1-CE1 3.32Å; Y549-F725 AromaticContact CD1-CZ 3.46Å; Y549-F725 HydrophobicContact CD1-CZ 3.46Å; Y549-F725 VanDerWaalsContact CD1-CZ 3.46Å; Y549-F725 HydrophobicContact CD2-CE1 4.41Å; Y549-F725 AromaticContact CD2-CZ 3.75Å; Y549-F725 HydrophobicContact CD2-CZ 3.75Å; Y549-F725 AromaticContact CE1-CE1 3.76Å; Y549-F725 HydrophobicContact CE1-CE1 3.76Å; Y549-F725 HydrophobicContact CE1-CZ 4.06Å; Y549-F725 HydrophobicContact CE2-CZ 4.29Å; Y549-F725 AromaticContact CG-CE1 3.69Å; Y549-F725 HydrophobicContact CG-CE1 3.69Å; Y549-F725 HydrophobicContact CG-CE2 4.26Å; Y549-F725 AromaticContact CG-CZ 3.27Å; Y549-F725 HydrophobicContact CG-CZ 3.27Å; A550-F725 VanDerWaalsContact O-CD2 3.26Å; A550-F725 WeakPolarHBondContact O-CD2 3.5Å; I638-F725 HydrophobicContact CB-CE2 4.49Å; I638-F725 HydrophobicContact CD1-CE2 4.46Å; I638-F725 HydrophobicContact CG1-CE2 4.32Å; I638-F725 HydrophobicContact CG2-CE2 3.48Å; I638-F725 VanDerWaalsContact CG2-CE2 3.48Å; I638-F725 HydrophobicContact CG2-CZ 3.43Å; I638-F725 VanDerWaalsContact CG2-CZ 3.43Å; L642-F725 HydrophobicContact CD1-CZ 4.46Å; L720-F725 CarbonylContact C-O 3.55Å; L720-F725 HydrophobicContact CB-CB 4.49Å; L720-F725 HydrophobicContact CB-CD1 4.05Å; L720-F725 HydrophobicContact CD1-CD1 4.05Å; L720-F725 HydrophobicContact CD1-CE1 4.16Å; L720-F725 HydrophobicContact CD2-CD1 3.72Å; L720-F725 HydrophobicContact CD2-CE1 3.93Å; L720-F725 HydrophobicContact CG-CD1 4.13Å; L720-F725 WeakPolarHBondContact O-CB 3.47Å; L720-F725 PolarHBondContact O-N 2.74Å; L723-F725 VanDerWaalsContact C-N 3.28Å; L723-F725 HydrophobicContact CB-CB 4.09Å | ||
| 726 | V | 85.9 | Confident | 91.4 | Very high | 14 Ų | 14 | 25.5 Ų | 25.5 | 9% | 0.085 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -111.7 | 131.3 | -173.3 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | A550 R728 F783 D788 | A550-V726 HydrophobicContact CB-CB 3.92Å; A550-V726 PolarHBondContact N-O 3.34Å; V726-R728 HydrophobicContact CG1-CG 4.01Å; V726-F783 HydrophobicContact CG1-CB 4.39Å; V726-D788 VanDerWaalsContact CA-OD2 3.3Å; V726-D788 WeakPolarHBondContact CA-OD2 3.43Å; V726-D788 WeakPolarHBondContact CG1-OD1 3.32Å; V726-D788 WeakPolarHBondContact CG1-OD2 3.41Å |
| 727 | H | 89.3 | Confident | 91.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -87.1 | -33.5 | -172.7 | -163.7 | -40.1 | 0 | 0 | 0 | 113.7 | T548 Y549 M717 L720 D729 I745 D788 | T548-H727 WeakPolarHBondContact CG2-O 3.34Å; Y549-H727 AromaticContact CE1-CE1 3.94Å; Y549-H727 AromaticContact CE1-NE2 3.9Å; M717-H727 HydrophobicContact CE-CB 3.9Å; M717-H727 HydrophobicContact SD-CB 4.31Å; L720-H727 HydrophobicContact CD1-CB 4.46Å; H727-D729 PolarHBondContact O-N 3.29Å; H727-I745 WeakPolarHBondContact NE2-CG2 3.48Å; H727-D788 PolarHBondContact N-OD1 3.04Å; H727-D788 PolarHBondContact N-OD2 3.25Å | ||
| 728 | R | 88.4 | Confident | 91.1 | Very high | 59 Ų | 59 | 25.7 Ų | 25.7 | 22% | 0.223 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 64.9 | -20.8 | 175.8 | -49.7 | -169.6 | 171.1 | 173.8 | -6.4 | 118.2 | Q541 T548 V726 F783 D788 | Q541-R728 PolarHBondContact O-NH1 3.03Å; T548-R728 HydrophobicContact CG2-CB 3.85Å; T548-R728 WeakPolarHBondContact O-CD 3.43Å; T548-R728 WeakPolarHBondContact O-CG 3.46Å; V726-R728 HydrophobicContact CG1-CG 4.01Å; R728-F783 HydrophobicContact CB-CD1 3.63Å; R728-F783 HydrophobicContact CB-CE1 3.9Å; R728-F783 HydrophobicContact CB-CG 4.33Å; R728-F783 HydrophobicContact CG-CB 3.9Å; R728-F783 HydrophobicContact CG-CD1 3.61Å; R728-F783 HydrophobicContact CG-CE1 4.31Å; R728-F783 HydrophobicContact CG-CG 3.82Å; R728-D788 PolarHBondContact N-OD1 3.4Å |
| 729 | D | 90 | Very high | 90.7 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | trans | -141.6 | 57.1 | 179 | -174.9 | 24 | 0 | 0 | 0 | 109.7 | T548 H727 R733 N734 Y759 P769 | T548-D729 HydrophobicContact CG2-CB 3.31Å; H727-D729 PolarHBondContact O-N 3.29Å; D729-R733 IonicContact OD1-CZ 3.02Å; D729-R733 IonicContact OD1-NE 3.3Å; D729-R733 IonicContact OD1-NH2 3.17Å; D729-R733 PolarHBondContact OD1-NH2 3.34Å; D729-N734 PolarHBondContact O-ND2 2.7Å; D729-N734 PolarHBondContact OD2-ND2 3.35Å; D729-Y759 PolarHBondContact OD1-OH 3.16Å; D729-Y759 WeakPolarHBondContact OD2-CE1 3.37Å; D729-Y759 PolarHBondContact OD2-OH 3.32Å; D729-P769 HydrophobicContact CB-CG 4.17Å; D729-P769 WeakPolarHBondContact OD1-CB 3.31Å; D729-P769 WeakPolarHBondContact OD1-CG 3.34Å | ||
| 730 | L | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -80.9 | 120.1 | 171.8 | 179.6 | 67.7 | 0 | 0 | 0 | 109.3 | I713 M717 I745 A791 F792 T795 | I713-L730 HydrophobicContact CG2-CD1 4.14Å; M717-L730 HydrophobicContact CE-CD2 4.08Å; M717-L730 HydrophobicContact CG-CD1 4.22Å; M717-L730 HydrophobicContact CG-CD2 3.66Å; M717-L730 HydrophobicContact SD-CD1 3.87Å; M717-L730 HydrophobicContact SD-CD2 3.84Å; M717-L730 HydrophobicContact SD-CG 4.36Å; L730-I745 HydrophobicContact CD1-CD1 4.27Å; L730-I745 HydrophobicContact CD1-CG2 3.99Å; L730-A791 HydrophobicContact CB-CB 4.09Å; L730-F792 HydrophobicContact CD2-CB 3.78Å; L730-F792 HydrophobicContact CD2-CD2 4.21Å; L730-T795 PolarHBondContact O-OG1 2.87Å | ||
| 731 | A | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -159.8 | 166.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | R733 N734 W772 | A731-R733 VanDerWaalsContact C-N 3.31Å; A731-R733 HydrophobicContact CB-CG 3.84Å; A731-R733 VanDerWaalsContact CB-CZ 3.44Å; A731-R733 PolarHBondContact O-N 2.81Å; A731-N734 PolarHBondContact O-N 2.75Å; A731-W772 HydrophobicContact CB-CD2 4.26Å; A731-W772 HydrophobicContact CB-CG 4.24Å; A731-W772 HydrophobicContact CB-CZ2 4.39Å; A731-W772 VanDerWaalsContact CB-NE1 3.34Å |
| 732 | T | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -61.1 | -37 | 179 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | L672 N673 N734 C735 T795 E798 V799 | L672-T732 HydrophobicContact CD2-CG2 4.26Å; L672-T732 HydrophobicContact CG-CG2 4.5Å; N673-T732 WeakPolarHBondContact CB-OG1 3.35Å; N673-T732 PolarHBondContact ND2-OG1 2.97Å; T732-N734 PolarHBondContact O-N 2.56Å; T732-C735 PolarHBondContact O-N 3.29Å; T732-T795 HydrophobicContact CG2-CG2 4.05Å; T732-E798 WeakPolarHBondContact CB-OE1 3.16Å; T732-E798 HydrophobicContact CG2-CB 3.51Å; T732-E798 HydrophobicContact CG2-CG 4.23Å; T732-E798 PolarHBondContact N-OE2 2.81Å; T732-E798 VanDerWaalsContact N-OE2 3.13Å; T732-E798 PolarHBondContact OG1-OE1 3.43Å; T732-V799 HydrophobicContact CG2-CG2 3.99Å |
| 733 | R | 92.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -58.3 | -15.5 | 173.3 | 61.9 | 174.3 | 178.8 | -81.2 | -15.3 | 115.2 | N673 D729 A731 Y755 D758 Y759 | N673-R733 HydrophobicContact CB-CB 4.44Å; D729-R733 IonicContact OD1-CZ 3.02Å; D729-R733 IonicContact OD1-NE 3.3Å; D729-R733 IonicContact OD1-NH2 3.17Å; D729-R733 PolarHBondContact OD1-NH2 3.34Å; A731-R733 VanDerWaalsContact C-N 3.31Å; A731-R733 HydrophobicContact CB-CG 3.84Å; A731-R733 VanDerWaalsContact CB-CZ 3.44Å; A731-R733 PolarHBondContact O-N 2.81Å; R733-Y755 HydrophobicContact CB-CD1 4.3Å; R733-Y755 HydrophobicContact CB-CD2 3.57Å; R733-Y755 HydrophobicContact CB-CE1 4.34Å; R733-Y755 HydrophobicContact CB-CE2 3.61Å; R733-Y755 HydrophobicContact CB-CG 3.94Å; R733-Y755 HydrophobicContact CG-CD2 4.39Å; R733-Y755 HydrophobicContact CG-CG 4.48Å; R733-D758 IonicContact CZ-OD2 2.63Å; R733-D758 IonicContact NE-OD2 2.7Å; R733-D758 VanDerWaalsContact NH1-CG 3.33Å; R733-D758 IonicContact NH1-OD2 2.73Å; R733-D758 PolarHBondContact NH1-OD2 3.13Å; R733-Y759 PolarHBondContact NE-OH 2.94Å |
| 734 | N | 92.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -111.8 | 14.1 | 178.6 | -72.1 | -18 | 0 | 0 | 0 | 111.9 | D729 A731 T732 A746 S751 | D729-N734 PolarHBondContact O-ND2 2.7Å; D729-N734 PolarHBondContact OD2-ND2 3.35Å; A731-N734 PolarHBondContact O-N 2.75Å; T732-N734 PolarHBondContact O-N 2.56Å; N734-A746 WeakPolarHBondContact CB-O 3.39Å; N734-A746 PolarHBondContact O-N 2.81Å; N734-S751 WeakPolarHBondContact OD1-CB 3.38Å; N734-S751 PolarHBondContact OD1-OG 3.45Å |
| 735 | C | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135 | 170.1 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | D671 L672 T732 I743 | D671-C735 CarbonylContact C-O 3.46Å; D671-C735 VanDerWaalsContact CA-O 3.31Å; D671-C735 WeakPolarHBondContact CA-O 3.38Å; L672-C735 HydrophobicContact CB-CB 3.89Å; L672-C735 HydrophobicContact CD2-CB 3.95Å; L672-C735 PolarHBondContact N-O 3.14Å; T732-C735 PolarHBondContact O-N 3.29Å; C735-I743 HydrophobicContact CB-CG2 4.06Å |
| 736 | L | 93.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 22 Ų | 22 | 17% | 0.173 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 148.7 | 177.4 | -61.8 | -174.1 | 0 | 0 | 0 | 112 | M667 G670 D671 I743 K744 A746 F748 | M667-L736 HydrophobicContact CB-CB 3.76Å; M667-L736 HydrophobicContact CB-CD1 4.08Å; M667-L736 HydrophobicContact CE-CB 4.17Å; M667-L736 WeakPolarHBondContact CE-O 3.33Å; M667-L736 HydrophobicContact CG-CB 3.75Å; M667-L736 HydrophobicContact CG-CD1 3.95Å; G670-L736 CarbonylContact O-C 3.56Å; G670-L736 WeakPolarHBondContact O-CA 3.46Å; D671-L736 HydrophobicContact CB-CD2 3.96Å; L736-I743 WeakPolarHBondContact O-CA 3.31Å; L736-K744 PolarHBondContact N-O 2.87Å; L736-K744 PolarHBondContact O-N 3.34Å; L736-A746 HydrophobicContact CD1-CB 4.38Å; L736-A746 HydrophobicContact CG-CB 4.34Å; L736-F748 HydrophobicContact CD1-CD2 4.19Å; L736-F748 HydrophobicContact CD1-CE2 3.61Å |
| 737 | V | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125 | -177.2 | -168 | 0 | 0 | 0 | 0 | 110.4 | M667 N669 G670 L672 F675 I743 | M667-V737 CarbonylContact C-O 3.58Å; N669-V737 WeakPolarHBondContact CA-O 3.45Å; N669-V737 HydrophobicContact CB-CB 3.79Å; N669-V737 HydrophobicContact CB-CG1 3.81Å; N669-V737 WeakPolarHBondContact CB-O 3.33Å; N669-V737 PolarHBondContact N-O 3.18Å; G670-V737 PolarHBondContact O-N 2.65Å; L672-V737 HydrophobicContact CB-CG2 3.92Å; L672-V737 HydrophobicContact CD1-CG2 3.69Å; L672-V737 HydrophobicContact CG-CG2 4.43Å; F675-V737 HydrophobicContact CB-CG2 3.95Å; F675-V737 HydrophobicContact CD1-CG1 4.17Å; F675-V737 HydrophobicContact CD1-CG2 4.13Å; F675-V737 HydrophobicContact CD2-CB 4.46Å; F675-V737 HydrophobicContact CD2-CG1 4.2Å; F675-V737 HydrophobicContact CE1-CG1 4.15Å; F675-V737 HydrophobicContact CE2-CG1 4.16Å; F675-V737 HydrophobicContact CG-CB 4.32Å; F675-V737 HydrophobicContact CG-CG1 4.19Å; F675-V737 HydrophobicContact CG-CG2 3.99Å; F675-V737 HydrophobicContact CZ-CG1 4.13Å; V737-I743 HydrophobicContact CB-CD1 4.45Å; V737-I743 HydrophobicContact CG1-CD1 4.3Å; V737-I743 HydrophobicContact CG2-CD1 3.91Å |
| 738 | G | 91.6 | Very high | 90 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | trans | -105.4 | -159.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N669 T742 | N669-G738 PolarHBondContact ND2-O 2.98Å; G738-T742 PolarHBondContact N-O 3.39Å | ||
| 739 | E | 90.1 | Very high | 88.6 | Confident | 68 Ų | 68 | 20.6 Ų | 20.6 | 32% | 0.318 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -55.2 | 149 | 170.2 | -66.9 | 176.9 | -159.5 | 0 | 0 | 111.7 | R608 E668 F741 T742 | R608-E739 IonicContact CZ-OE1 2.7Å; R608-E739 VanDerWaalsContact CZ-OE1 3.24Å; R608-E739 IonicContact CZ-OE2 2.73Å; R608-E739 IonicContact NH1-OE1 3.61Å; R608-E739 PolarHBondContact NH1-OE1 3.25Å; R608-E739 IonicContact NH1-OE2 3.55Å; R608-E739 PolarHBondContact NH1-OE2 3.43Å; R608-E739 VanDerWaalsContact NH2-CD 3.32Å; R608-E739 IonicContact NH2-OE1 2.7Å; R608-E739 PolarHBondContact NH2-OE1 3.04Å; R608-E739 VanDerWaalsContact NH2-OE1 3.14Å; R608-E739 IonicContact NH2-OE2 2.73Å; R608-E739 PolarHBondContact NH2-OE2 3.33Å; E668-E739 WeakPolarHBondContact OE1-CG 3.25Å; E739-F741 VanDerWaalsContact C-N 3.27Å; E739-F741 PolarHBondContact O-N 2.95Å; E739-T742 VanDerWaalsContact O-CB 3.27Å; E739-T742 WeakPolarHBondContact O-CB 3.47Å; E739-T742 PolarHBondContact O-N 2.87Å; E739-T742 PolarHBondContact O-OG1 3.16Å |
| 740 | N | 91.1 | Very high | 86.7 | Confident | 134 Ų | 134 | 22.4 Ų | 22.4 | 72% | 0.717 | 12% | 0.118 | S | C | * | . | G | 310 helix | trans | 54 | 36.1 | 170 | -50.5 | -55 | 0 | 0 | 0 | 114.6 | T742 | N740-T742 PolarHBondContact O-N 3.06Š|
| 741 | F | 93.3 | Very high | 84.9 | Confident | 54 Ų | 54 | 23 Ų | 23 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | 59.1 | 25.6 | -176.1 | -53.3 | -93.7 | 0 | 0 | 0 | 114.1 | F675 I701 M705 V709 Q712 E739 I743 | F675-F741 AromaticContact CE1-CD1 3.67Å; F675-F741 HydrophobicContact CE1-CD1 3.67Å; F675-F741 AromaticContact CE1-CE1 3.64Å; F675-F741 HydrophobicContact CE1-CE1 3.64Å; F675-F741 AromaticContact CZ-CD1 3.82Å; F675-F741 HydrophobicContact CZ-CD1 3.82Å; F675-F741 AromaticContact CZ-CE1 3.6Å; F675-F741 HydrophobicContact CZ-CE1 3.6Å; I701-F741 HydrophobicContact CD1-CD1 4.01Å; I701-F741 HydrophobicContact CD1-CE1 3.74Å; I701-F741 HydrophobicContact CG1-CE1 4.13Å; M705-F741 HydrophobicContact CE-CD2 3.73Å; M705-F741 HydrophobicContact CE-CE2 4.12Å; M705-F741 HydrophobicContact CE-CG 4.32Å; M705-F741 HydrophobicContact CG-CB 4.21Å; M705-F741 HydrophobicContact CG-CD1 3.8Å; M705-F741 HydrophobicContact CG-CD2 3.94Å; M705-F741 HydrophobicContact CG-CE1 4.11Å; M705-F741 HydrophobicContact CG-CE2 4.25Å; M705-F741 HydrophobicContact CG-CG 3.72Å; M705-F741 HydrophobicContact CG-CZ 4.33Å; M705-F741 HydrophobicContact SD-CB 3.63Å; M705-F741 HydrophobicContact SD-CD1 4.31Å; M705-F741 HydrophobicContact SD-CD2 3.66Å; M705-F741 HydrophobicContact SD-CE2 4.41Å; M705-F741 HydrophobicContact SD-CG 3.62Å; V709-F741 HydrophobicContact CG2-CB 4.44Å; Q712-F741 PolarHBondContact NE2-O 2.92Å; E739-F741 VanDerWaalsContact C-N 3.27Å; E739-F741 PolarHBondContact O-N 2.95Å; F741-I743 PolarHBondContact O-N 2.97Å |
| 742 | T | 95.8 | Very high | 83.1 | Confident | 55 Ų | 55 | 24.6 Ų | 24.6 | 34% | 0.337 | 13% | 0.128 | S | C | . | . | trans | -67.3 | 123.6 | 174.3 | -54 | 0 | 0 | 0 | 0 | 110 | M667 G738 E739 N740 | M667-T742 WeakPolarHBondContact CE-O 3.44Å; G738-T742 PolarHBondContact N-O 3.39Å; E739-T742 VanDerWaalsContact O-CB 3.27Å; E739-T742 WeakPolarHBondContact O-CB 3.47Å; E739-T742 PolarHBondContact O-N 2.87Å; E739-T742 PolarHBondContact O-OG1 3.16Å; N740-T742 PolarHBondContact O-N 3.06Å | ||
| 743 | I | 97.6 | Very high | 81.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134 | -179.1 | -53.4 | -57.7 | 0 | 0 | 0 | 111.2 | N646 L672 V709 Q712 I713 C735 L736 V737 F741 | N646-I743 WeakPolarHBondContact CA-O 3.38Å; N646-I743 PolarHBondContact ND2-O 3.47Å; L672-I743 HydrophobicContact CD1-CD1 3.9Å; L672-I743 HydrophobicContact CD2-CD1 4.44Å; V709-I743 HydrophobicContact CB-CG1 4.29Å; V709-I743 HydrophobicContact CG1-CD1 4.14Å; V709-I743 HydrophobicContact CG1-CG1 4.05Å; V709-I743 HydrophobicContact CG2-CD1 4.14Å; V709-I743 HydrophobicContact CG2-CG1 4.17Å; Q712-I743 HydrophobicContact CB-CB 3.99Å; Q712-I743 HydrophobicContact CB-CG1 4.31Å; I713-I743 HydrophobicContact CG1-CG2 3.81Å; C735-I743 HydrophobicContact CB-CG2 4.06Å; L736-I743 WeakPolarHBondContact O-CA 3.31Å; V737-I743 HydrophobicContact CB-CD1 4.45Å; V737-I743 HydrophobicContact CG1-CD1 4.3Å; V737-I743 HydrophobicContact CG2-CD1 3.91Å; F741-I743 PolarHBondContact O-N 2.97Å |
| 744 | K | 95.6 | Very high | 80.5 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.7 | 166.7 | -67.5 | -177.9 | 164.7 | -60.7 | 0 | 111.3 | P645 N646 I647 I648 M667 L736 | P645-K744 PolarHBondContact O-NZ 3.1Å; N646-K744 WeakPolarHBondContact O-CA 3.34Å; I647-K744 PolarHBondContact O-NZ 2.88Å; I648-K744 HydrophobicContact CD1-CD 4.26Å; M667-K744 HydrophobicContact CE-CB 3.87Å; M667-K744 HydrophobicContact CE-CD 4Å; M667-K744 HydrophobicContact CE-CG 3.8Å; M667-K744 HydrophobicContact SD-CD 3.8Å; M667-K744 HydrophobicContact SD-CG 4.3Å; L736-K744 PolarHBondContact N-O 2.87Å; L736-K744 PolarHBondContact O-N 3.34Å |
| 745 | I | 94.4 | Very high | 80 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139.5 | 173.4 | -47.1 | 175.9 | 0 | 0 | 0 | 109.4 | N646 I647 I648 I713 M717 H727 L730 | N646-I745 PolarHBondContact O-N 3.26Å; I647-I745 HydrophobicContact CD1-CB 3.96Å; I647-I745 HydrophobicContact CD1-CD1 4.11Å; I647-I745 HydrophobicContact CD1-CG1 4.3Å; I648-I745 WeakPolarHBondContact CG2-O 3.43Å; I648-I745 PolarHBondContact N-O 2.8Å; I713-I745 HydrophobicContact CG2-CD1 3.97Å; I713-I745 HydrophobicContact CG2-CG1 4.45Å; M717-I745 HydrophobicContact CG-CD1 3.63Å; M717-I745 HydrophobicContact SD-CD1 3.73Å; H727-I745 WeakPolarHBondContact NE2-CG2 3.48Å; L730-I745 HydrophobicContact CD1-CD1 4.27Å; L730-I745 HydrophobicContact CD1-CG2 3.99Å |
| 746 | A | 85.4 | Confident | 79.2 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | trans | -147.6 | 160.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I648 N734 L736 F748 | I648-A746 HydrophobicContact CB-CB 3.93Å; I648-A746 HydrophobicContact CG1-CB 4.49Å; I648-A746 HydrophobicContact CG2-CB 3.66Å; N734-A746 WeakPolarHBondContact CB-O 3.39Å; N734-A746 PolarHBondContact O-N 2.81Å; L736-A746 HydrophobicContact CD1-CB 4.38Å; L736-A746 HydrophobicContact CG-CB 4.34Å; A746-F748 HydrophobicContact CB-CD2 3.61Å; A746-F748 HydrophobicContact CB-CE2 3.58Å | ||
| 747 | D | 69.1 | Low | 78.6 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | trans | -133.5 | 57.8 | 178.8 | -173.4 | 27.4 | 0 | 0 | 0 | 110.5 | T548 Y549 G749 | T548-D747 WeakPolarHBondContact CA-OD2 3.32Å; T548-D747 WeakPolarHBondContact CB-OD1 3.49Å; T548-D747 WeakPolarHBondContact CB-OD2 3.46Å; T548-D747 PolarHBondContact N-OD2 3.48Å; T548-D747 PolarHBondContact OG1-OD1 3.38Å; T548-D747 PolarHBondContact OG1-OD2 3.27Å; Y549-D747 HydrophobicContact CD1-CB 4.35Å; Y549-D747 HydrophobicContact CD2-CB 4.25Å; Y549-D747 HydrophobicContact CE1-CB 3.66Å; Y549-D747 HydrophobicContact CE2-CB 3.56Å; Y549-D747 VanDerWaalsContact OH-CB 3.29Å; Y549-D747 WeakPolarHBondContact OH-CB 3.41Å; Y549-D747 PolarHBondContact OH-N 2.96Å; D747-G749 PolarHBondContact O-N 2.96Å | ||
| 748 | F | 53.8 | Low | 78.1 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 11% | 0.114 | 23% | 0.225 | C | C | . | . | trans | -68.4 | -12.1 | -177.3 | -77.6 | -79.2 | 0 | 0 | 0 | 113.7 | V587 K618 I648 T664 L736 A746 M750 | V587-F748 HydrophobicContact CG2-CD1 3.98Å; K618-F748 HydrophobicContact CD-CD1 4.29Å; K618-F748 WeakPolarHBondContact CE-O 3.43Å; K618-F748 PolarHBondContact NZ-O 2.87Å; I648-F748 HydrophobicContact CD1-CZ 4.47Å; I648-F748 HydrophobicContact CG1-CE2 4.04Å; I648-F748 HydrophobicContact CG1-CZ 3.96Å; T664-F748 HydrophobicContact CG2-CZ 4.43Å; L736-F748 HydrophobicContact CD1-CD2 4.19Å; L736-F748 HydrophobicContact CD1-CE2 3.61Å; A746-F748 HydrophobicContact CB-CD2 3.61Å; A746-F748 HydrophobicContact CB-CE2 3.58Å; F748-M750 HydrophobicContact CB-CE 4.02Å; F748-M750 HydrophobicContact CB-CG 4.25Å; F748-M750 HydrophobicContact CG-CE 4.36Å; F748-M750 PolarHBondContact O-N 3.47Å | ||
| 749 | G | 57.7 | Low | 77.7 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 69.3 | -7.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D747 | D747-G749 PolarHBondContact O-N 2.96Š|
| 750 | M | 51.5 | Low | 77.3 | Confident | 40 Ų | 40 | 39 Ų | 39 | 20% | 0.197 | 22% | 0.219 | C | C | . | . | trans | -73.3 | -32.6 | 179.7 | -60.2 | -168.2 | -62.7 | 0 | 0 | 113.1 | G580 V587 F748 R752 N753 | G580-M750 VanDerWaalsContact CA-SD 3.56Å; V587-M750 HydrophobicContact CB-CE 3.81Å; V587-M750 HydrophobicContact CB-SD 3.53Å; V587-M750 VanDerWaalsContact CB-SD 3.53Å; V587-M750 HydrophobicContact CG1-CE 4.34Å; V587-M750 HydrophobicContact CG2-CE 3.66Å; V587-M750 HydrophobicContact CG2-CG 4.29Å; V587-M750 HydrophobicContact CG2-SD 3.31Å; V587-M750 WeakPolarHBondContact CG2-SD 3.47Å; F748-M750 HydrophobicContact CB-CE 4.02Å; F748-M750 HydrophobicContact CB-CG 4.25Å; F748-M750 HydrophobicContact CG-CE 4.36Å; F748-M750 PolarHBondContact O-N 3.47Å; M750-R752 PolarHBondContact O-N 3.38Å; M750-R752 VanDerWaalsContact O-N 3.12Å; M750-N753 PolarHBondContact O-N 2.92Å | ||
| 751 | S | 56 | Low | 76.5 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.3 | -33.4 | 178.8 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | N734 N753 L754 Y755 | N734-S751 WeakPolarHBondContact OD1-CB 3.38Å; N734-S751 PolarHBondContact OD1-OG 3.45Å; S751-N753 PolarHBondContact O-N 2.84Å; S751-N753 VanDerWaalsContact O-N 3.12Å; S751-L754 PolarHBondContact O-N 2.96Å; S751-Y755 WeakPolarHBondContact O-CA 3.31Å; S751-Y755 WeakPolarHBondContact O-CB 3.48Å; S751-Y755 WeakPolarHBondContact O-CD2 3.15Å; S751-Y755 PolarHBondContact O-N 2.88Å |
| 752 | R | 58.8 | Low | 74.8 | Confident | 33 Ų | 33 | 39.3 Ų | 39.3 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -19.8 | 178.1 | -56.7 | -174.8 | -175 | -178.5 | 7.8 | 115.1 | N547 T548 M750 Y759 | N547-R752 PolarHBondContact O-NH2 2.84Å; T548-R752 PolarHBondContact OG1-NH2 3.42Å; M750-R752 PolarHBondContact O-N 3.38Å; M750-R752 VanDerWaalsContact O-N 3.12Å; R752-Y759 HydrophobicContact CB-CE2 4.28Å; R752-Y759 HydrophobicContact CG-CE1 4.09Å; R752-Y759 HydrophobicContact CG-CE2 4.01Å |
| 753 | N | 63.2 | Low | 72.3 | Confident | 92 Ų | 92 | 45.7 Ų | 45.7 | 49% | 0.492 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -89.5 | -42.7 | 175.4 | -79.5 | -16.2 | 0 | 0 | 0 | 112.3 | E581 M750 S751 | E581-N753 PolarHBondContact O-ND2 3.04Å; M750-N753 PolarHBondContact O-N 2.92Å; S751-N753 PolarHBondContact O-N 2.84Å; S751-N753 VanDerWaalsContact O-N 3.12Å |
| 754 | L | 69.7 | Low | 69.8 | Low | 115 Ų | 115 | 50 Ų | 50 | 60% | 0.602 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -75.2 | -43.9 | 179.9 | -178.3 | 59.2 | 0 | 0 | 0 | 111.7 | S751 A756 | S751-L754 PolarHBondContact O-N 2.96Å; L754-A756 VanDerWaalsContact C-N 3.32Å; L754-A756 PolarHBondContact O-N 3.03Å |
| 755 | Y | 80.7 | Confident | 67.6 | Low | 33 Ų | 33 | 53.7 Ų | 53.7 | 13% | 0.129 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 36.7 | -178.5 | -62.5 | -80.8 | 0 | 0 | 0 | 112.2 | D671 N673 Q674 R733 S751 G757 D758 Y759 | D671-Y755 PolarHBondContact OD1-OH 2.95Å; N673-Y755 HydrophobicContact CB-CE1 4.27Å; N673-Y755 VanDerWaalsContact OD1-CE1 3.23Å; N673-Y755 WeakPolarHBondContact OD1-CE1 3.31Å; N673-Y755 PolarHBondContact OD1-OH 2.71Å; Q674-Y755 WeakPolarHBondContact CG-OH 3.47Å; R733-Y755 HydrophobicContact CB-CD1 4.3Å; R733-Y755 HydrophobicContact CB-CD2 3.57Å; R733-Y755 HydrophobicContact CB-CE1 4.34Å; R733-Y755 HydrophobicContact CB-CE2 3.61Å; R733-Y755 HydrophobicContact CB-CG 3.94Å; R733-Y755 HydrophobicContact CG-CD2 4.39Å; R733-Y755 HydrophobicContact CG-CG 4.48Å; S751-Y755 WeakPolarHBondContact O-CA 3.31Å; S751-Y755 WeakPolarHBondContact O-CB 3.48Å; S751-Y755 WeakPolarHBondContact O-CD2 3.15Å; S751-Y755 PolarHBondContact O-N 2.88Å; Y755-G757 PolarHBondContact O-N 2.88Å; Y755-D758 WeakPolarHBondContact O-CB 3.39Å; Y755-D758 PolarHBondContact O-N 3.2Å; Y755-Y759 VanDerWaalsContact O-CD2 3.31Å; Y755-Y759 WeakPolarHBondContact O-CD2 3.35Å |
| 756 | A | 79.2 | Confident | 66 | Low | 46 Ų | 46 | 54 Ų | 54 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -56.4 | -27.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | L754 D758 Y759 | L754-A756 VanDerWaalsContact C-N 3.32Å; L754-A756 PolarHBondContact O-N 3.03Å; A756-D758 VanDerWaalsContact C-N 3.32Å; A756-D758 PolarHBondContact O-N 3.14Å; A756-Y759 PolarHBondContact O-N 2.76Å |
| 757 | G | 80.8 | Confident | 65.5 | Low | 55 Ų | 55 | 56 Ų | 56 | 57% | 0.567 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -76.9 | -5.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y755 Q806 | Y755-G757 PolarHBondContact O-N 2.88Å; G757-Q806 PolarHBondContact O-NE2 2.9Å |
| 758 | D | 85.1 | Confident | 66.2 | Low | 17 Ų | 17 | 56.3 Ų | 56.3 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -85.9 | -12.1 | 170.4 | -73.1 | -15.9 | 0 | 0 | 0 | 112.6 | R733 Y755 A756 P769 W772 Q806 | R733-D758 IonicContact CZ-OD2 2.63Å; R733-D758 IonicContact NE-OD2 2.7Å; R733-D758 VanDerWaalsContact NH1-CG 3.33Å; R733-D758 IonicContact NH1-OD2 2.73Å; R733-D758 PolarHBondContact NH1-OD2 3.13Å; Y755-D758 WeakPolarHBondContact O-CB 3.39Å; Y755-D758 PolarHBondContact O-N 3.2Å; A756-D758 VanDerWaalsContact C-N 3.32Å; A756-D758 PolarHBondContact O-N 3.14Å; D758-P769 WeakPolarHBondContact O-CA 3.44Å; D758-W772 HydrophobicContact CB-CH2 4Å; D758-W772 HydrophobicContact CB-CZ3 3.66Å; D758-W772 WeakPolarHBondContact OD1-CH2 3.48Å; D758-W772 WeakPolarHBondContact OD2-CH2 3.31Å; D758-Q806 PolarHBondContact OD1-NE2 2.97Å |
| 759 | Y | 83.8 | Confident | 67.9 | Low | 11 Ų | 11 | 55.3 Ų | 55.3 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -119.1 | 106.8 | -169.9 | -65.3 | -87.5 | 0 | 0 | 0 | 113 | D729 R733 R752 Y755 A756 V767 L768 P769 | D729-Y759 PolarHBondContact OD1-OH 3.16Å; D729-Y759 WeakPolarHBondContact OD2-CE1 3.37Å; D729-Y759 PolarHBondContact OD2-OH 3.32Å; R733-Y759 PolarHBondContact NE-OH 2.94Å; R752-Y759 HydrophobicContact CB-CE2 4.28Å; R752-Y759 HydrophobicContact CG-CE1 4.09Å; R752-Y759 HydrophobicContact CG-CE2 4.01Å; Y755-Y759 VanDerWaalsContact O-CD2 3.31Å; Y755-Y759 WeakPolarHBondContact O-CD2 3.35Å; A756-Y759 PolarHBondContact O-N 2.76Å; Y759-V767 HydrophobicContact CD1-CG1 4.22Å; Y759-V767 HydrophobicContact CG-CG1 4.17Å; Y759-L768 CarbonylContact C-O 3.38Å; Y759-L768 WeakPolarHBondContact CA-O 3.4Å; Y759-P769 HydrophobicContact CD1-CB 3.95Å; Y759-P769 HydrophobicContact CE1-CB 3.79Å; Y759-P769 HydrophobicContact CE1-CG 4.25Å |
| 760 | Y | 81.8 | Confident | 69.5 | Low | 53 Ų | 53 | 54.9 Ų | 54.9 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 143.6 | 174.6 | -172.6 | -123.3 | 0 | 0 | 0 | 111.6 | V762 L768 I770 D813 I817 | Y760-V762 HydrophobicContact CD1-CG2 3.73Å; Y760-V762 HydrophobicContact CE1-CG2 3.44Å; Y760-V762 VanDerWaalsContact CE1-CG2 3.44Å; Y760-L768 PolarHBondContact N-O 3.24Å; Y760-L768 PolarHBondContact O-N 2.86Å; Y760-I770 HydrophobicContact CD1-CD1 4.36Å; Y760-I770 HydrophobicContact CG-CD1 4.06Å; Y760-D813 HydrophobicContact CD2-CB 3.45Å; Y760-D813 VanDerWaalsContact CD2-CB 3.45Å; Y760-D813 WeakPolarHBondContact CD2-OD2 3.39Å; Y760-D813 HydrophobicContact CE2-CB 3.76Å; Y760-D813 HydrophobicContact CG-CB 4.13Å; Y760-I817 HydrophobicContact CD1-CD1 3.74Å; Y760-I817 HydrophobicContact CE1-CD1 3.37Å |
| 761 | R | 72.9 | Confident | 71.7 | Confident | 166 Ų | 166 | 53.5 Ų | 53.5 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 94.5 | -177 | -61.7 | -169 | 179.2 | -175.1 | -0.1 | 111.2 | V767 | R761-V767 HydrophobicContact CG-CG1 4.31Å; R761-V767 HydrophobicContact CG-CG2 4.17Å |
| 762 | V | 58.8 | Low | 73.6 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -72 | 131.3 | 172.4 | 179 | 0 | 0 | 0 | 0 | 109.7 | Y760 G764 R765 | Y760-V762 HydrophobicContact CD1-CG2 3.73Å; Y760-V762 HydrophobicContact CE1-CG2 3.44Å; Y760-V762 VanDerWaalsContact CE1-CG2 3.44Å; V762-G764 PolarHBondContact O-N 3.08Å; V762-R765 HydrophobicContact CB-CB 4.05Å; V762-R765 HydrophobicContact CG1-CB 4.01Å; V762-R765 HydrophobicContact CG1-CG 4.08Å; V762-R765 PolarHBondContact O-N 3.23Å | ||
| 763 | Q | 43.3 | Very low | 75.3 | Confident | 188 Ų | 188 | 52 Ų | 52 | 88% | 0.879 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 129.9 | -178.8 | -65.5 | -171.7 | 5.7 | 0 | 0 | 111.5 | R765 | Q763-R765 PolarHBondContact O-N 3.06Å; Q763-R765 VanDerWaalsContact O-N 3.15Å |
| 764 | G | 43.3 | Very low | 76.9 | Confident | 92 Ų | 92 | 47.6 Ų | 47.6 | 95% | 0.948 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 1.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | V762 | V762-G764 PolarHBondContact O-N 3.08Š|
| 765 | R | 50.1 | Low | 78.1 | Confident | 99 Ų | 99 | 43 Ų | 43 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -122.4 | -172.7 | -177.7 | -57.2 | -171.6 | -178.5 | 133.1 | -7.3 | 110.9 | D536 I537 V762 Q763 | D536-R765 IonicContact OD1-CZ 3.13Å; D536-R765 IonicContact OD1-NH2 3.6Å; D536-R765 PolarHBondContact OD1-NH2 3.18Å; I537-R765 WeakPolarHBondContact O-CD 3.37Å; I537-R765 PolarHBondContact O-NE 3.33Å; V762-R765 HydrophobicContact CB-CB 4.05Å; V762-R765 HydrophobicContact CG1-CB 4.01Å; V762-R765 HydrophobicContact CG1-CG 4.08Å; V762-R765 PolarHBondContact O-N 3.23Å; Q763-R765 PolarHBondContact O-N 3.06Å; Q763-R765 VanDerWaalsContact O-N 3.15Å |
| 766 | A | 61.2 | Low | 78.5 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | trans | -82.1 | 166.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L540 V543 T544 | L540-A766 HydrophobicContact CB-CB 3.87Å; L540-A766 HydrophobicContact CD1-CB 4.14Å; V543-A766 HydrophobicContact CB-CB 3.93Å; V543-A766 HydrophobicContact CG2-CB 3.45Å; V543-A766 VanDerWaalsContact CG2-CB 3.45Å; T544-A766 HydrophobicContact CG2-CB 4.19Å | ||
| 767 | V | 74 | Confident | 78.9 | Confident | 43 Ų | 43 | 39.4 Ų | 39.4 | 26% | 0.261 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.4 | -176.8 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | V543 Y759 R761 | V543-V767 WeakPolarHBondContact CB-O 3.15Å; V543-V767 VanDerWaalsContact CG1-O 3.27Å; V543-V767 WeakPolarHBondContact CG1-O 3.19Å; Y759-V767 HydrophobicContact CD1-CG1 4.22Å; Y759-V767 HydrophobicContact CG-CG1 4.17Å; R761-V767 HydrophobicContact CG-CG1 4.31Å; R761-V767 HydrophobicContact CG-CG2 4.17Å |
| 768 | L | 83.6 | Confident | 79.2 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.6 | -165.2 | -73.6 | 179.3 | 0 | 0 | 0 | 114.9 | L540 V543 Y759 Y760 I770 M773 F783 | L540-L768 HydrophobicContact CD1-CD1 3.76Å; L540-L768 HydrophobicContact CD1-CD2 4.1Å; L540-L768 HydrophobicContact CD1-CG 4.15Å; L540-L768 HydrophobicContact CD2-CD2 4.31Å; V543-L768 HydrophobicContact CG2-CD2 4.01Å; Y759-L768 CarbonylContact C-O 3.38Å; Y759-L768 WeakPolarHBondContact CA-O 3.4Å; Y760-L768 PolarHBondContact N-O 3.24Å; Y760-L768 PolarHBondContact O-N 2.86Å; L768-I770 HydrophobicContact CB-CG2 3.8Å; L768-I770 HydrophobicContact CD1-CG2 4.45Å; L768-I770 PolarHBondContact O-N 2.76Å; L768-M773 HydrophobicContact CB-SD 3.88Å; L768-M773 HydrophobicContact CD1-CE 4.12Å; L768-M773 HydrophobicContact CD1-SD 4.38Å; L768-M773 HydrophobicContact CD2-CE 3.98Å; L768-M773 HydrophobicContact CD2-SD 3.94Å; L768-M773 HydrophobicContact CG-CE 4.49Å; L768-M773 HydrophobicContact CG-SD 4.3Å; L768-F783 HydrophobicContact CD2-CZ 4.48Å |
| 769 | P | 90.3 | Very high | 79 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | trans | -79.9 | 58.5 | 175.5 | 35.7 | -37 | 0 | 0 | 0 | 111.8 | D729 D758 Y759 R771 W772 M773 | D729-P769 HydrophobicContact CB-CG 4.17Å; D729-P769 WeakPolarHBondContact OD1-CB 3.31Å; D729-P769 WeakPolarHBondContact OD1-CG 3.34Å; D758-P769 WeakPolarHBondContact O-CA 3.44Å; Y759-P769 HydrophobicContact CD1-CB 3.95Å; Y759-P769 HydrophobicContact CE1-CB 3.79Å; Y759-P769 HydrophobicContact CE1-CG 4.25Å; P769-R771 PolarHBondContact O-N 2.84Å; P769-W772 HydrophobicContact CB-CE3 4.37Å; P769-W772 PolarHBondContact O-N 3.45Å; P769-M773 HydrophobicContact CG-CG 4.24Å; P769-M773 HydrophobicContact CG-SD 4.3Å; P769-M773 WeakPolarHBondContact O-CG 3.46Å; P769-M773 PolarHBondContact O-N 3.04Å | ||
| 770 | I | 91.9 | Very high | 78.7 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29 | -166.2 | 59.4 | 166.4 | 0 | 0 | 0 | 114.6 | Y760 L768 W772 M773 I778 D813 V816 I817 | Y760-I770 HydrophobicContact CD1-CD1 4.36Å; Y760-I770 HydrophobicContact CG-CD1 4.06Å; L768-I770 HydrophobicContact CB-CG2 3.8Å; L768-I770 HydrophobicContact CD1-CG2 4.45Å; L768-I770 PolarHBondContact O-N 2.76Å; I770-W772 PolarHBondContact O-N 3.15Å; I770-M773 HydrophobicContact CG2-SD 4.18Å; I770-M773 PolarHBondContact O-N 3.32Å; I770-I778 HydrophobicContact CB-CD1 4.47Å; I770-D813 HydrophobicContact CD1-CB 3.68Å; I770-D813 WeakPolarHBondContact CD1-O 3.4Å; I770-V816 HydrophobicContact CB-CG1 4.43Å; I770-V816 HydrophobicContact CD1-CB 4.15Å; I770-V816 HydrophobicContact CD1-CG1 4.05Å; I770-V816 HydrophobicContact CG1-CG1 4.18Å; I770-I817 HydrophobicContact CD1-CD1 4.17Å; I770-I817 HydrophobicContact CD1-CG1 4.01Å |
| 771 | R | 96.6 | Very high | 78.6 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -15.9 | 179.4 | -69.3 | 162.9 | -176.7 | -81.3 | -5.2 | 113.9 | P769 P807 F808 L811 D813 V816 | P769-R771 PolarHBondContact O-N 2.84Å; R771-P807 HydrophobicContact CB-CB 4.35Å; R771-P807 PolarHBondContact NH1-O 3.08Å; R771-F808 PolarHBondContact NH1-O 3.02Å; R771-L811 PolarHBondContact NH1-O 3.4Å; R771-L811 PolarHBondContact NH2-O 2.91Å; R771-D813 IonicContact CZ-OD1 3.84Å; R771-D813 VanDerWaalsContact CZ-OD1 3.3Å; R771-D813 IonicContact NE-OD1 2.64Å; R771-D813 PolarHBondContact NE-OD1 2.95Å; R771-D813 IonicContact NH2-OD1 2.74Å; R771-D813 PolarHBondContact NH2-OD1 3.33Å; R771-V816 HydrophobicContact CG-CG1 4.24Å; R771-V816 HydrophobicContact CG-CG2 4.19Å |
| 772 | W | 96.9 | Very high | 79 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -12.3 | 173.3 | -71.1 | -103.4 | 0 | 0 | 0 | 113.2 | A731 D758 P769 I770 A791 V794 E798 Q806 P807 | A731-W772 HydrophobicContact CB-CD2 4.26Å; A731-W772 HydrophobicContact CB-CG 4.24Å; A731-W772 HydrophobicContact CB-CZ2 4.39Å; A731-W772 VanDerWaalsContact CB-NE1 3.34Å; D758-W772 HydrophobicContact CB-CH2 4Å; D758-W772 HydrophobicContact CB-CZ3 3.66Å; D758-W772 WeakPolarHBondContact OD1-CH2 3.48Å; D758-W772 WeakPolarHBondContact OD2-CH2 3.31Å; P769-W772 HydrophobicContact CB-CE3 4.37Å; P769-W772 PolarHBondContact O-N 3.45Å; I770-W772 PolarHBondContact O-N 3.15Å; W772-A791 HydrophobicContact CB-CB 4.42Å; W772-A791 WeakPolarHBondContact O-CA 3.39Å; W772-A791 WeakPolarHBondContact O-CB 3.43Å; W772-V794 HydrophobicContact CD2-CG1 4.29Å; W772-V794 HydrophobicContact CG-CB 4.37Å; W772-V794 HydrophobicContact CG-CG1 3.95Å; W772-E798 HydrophobicContact CZ2-CG 4.36Å; W772-E798 PolarHBondContact NE1-OE2 3.02Å; W772-Q806 HydrophobicContact CH2-CG 4.45Å; W772-P807 HydrophobicContact CH2-CG 4.02Å; W772-P807 HydrophobicContact CZ2-CG 3.64Å |
| 773 | M | 94.8 | Very high | 80.3 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -80.1 | 141.4 | -173.3 | -71.9 | 170.3 | 62.8 | 0 | 0 | 112.1 | L768 P769 I770 C777 I778 F783 W790 | L768-M773 HydrophobicContact CB-SD 3.88Å; L768-M773 HydrophobicContact CD1-CE 4.12Å; L768-M773 HydrophobicContact CD1-SD 4.38Å; L768-M773 HydrophobicContact CD2-CE 3.98Å; L768-M773 HydrophobicContact CD2-SD 3.94Å; L768-M773 HydrophobicContact CG-CE 4.49Å; L768-M773 HydrophobicContact CG-SD 4.3Å; P769-M773 HydrophobicContact CG-CG 4.24Å; P769-M773 HydrophobicContact CG-SD 4.3Å; P769-M773 WeakPolarHBondContact O-CG 3.46Å; P769-M773 PolarHBondContact O-N 3.04Å; I770-M773 HydrophobicContact CG2-SD 4.18Å; I770-M773 PolarHBondContact O-N 3.32Å; M773-C777 HydrophobicContact CB-CB 4.14Å; M773-C777 HydrophobicContact CE-CB 3.65Å; M773-C777 WeakPolarHBondContact CE-O 3.41Å; M773-C777 HydrophobicContact CG-CB 4.47Å; M773-I778 HydrophobicContact CB-CD1 4.03Å; M773-I778 HydrophobicContact CB-CG1 3.69Å; M773-I778 HydrophobicContact CE-CG1 3.96Å; M773-I778 HydrophobicContact SD-CG1 4.48Å; M773-F783 HydrophobicContact CE-CE1 4.21Å; M773-F783 HydrophobicContact CE-CZ 3.87Å; M773-W790 PolarHBondContact O-NE1 2.71Å; M773-W790 VanDerWaalsContact O-NE1 3.17Å |
| 774 | A | 96.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -68.1 | 155.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E776 C777 I778 W790 | A774-E776 VanDerWaalsContact CB-CD 3.45Å; A774-E776 VanDerWaalsContact CB-OE1 3.26Å; A774-E776 WeakPolarHBondContact CB-OE1 3.33Å; A774-E776 VanDerWaalsContact CB-OE2 3.3Å; A774-E776 WeakPolarHBondContact CB-OE2 3.24Å; A774-E776 PolarHBondContact O-N 2.86Å; A774-C777 WeakPolarHBondContact O-CA 3.5Å; A774-C777 WeakPolarHBondContact O-CB 3.39Å; A774-C777 PolarHBondContact O-N 2.94Å; A774-I778 PolarHBondContact O-N 3.13Å; A774-W790 HydrophobicContact CB-CB 3.79Å; A774-W790 HydrophobicContact CB-CD2 3.66Å; A774-W790 HydrophobicContact CB-CE3 3.91Å; A774-W790 HydrophobicContact CB-CG 3.62Å | ||
| 775 | W | 94.3 | Very high | 85 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.2 | -36.8 | -177.3 | 74.7 | -95.2 | 0 | 0 | 0 | 112.2 | C777 I778 L779 M780 A820 F823 F824 R853 | W775-C777 VanDerWaalsContact C-N 3.29Å; W775-C777 PolarHBondContact O-N 3.21Å; W775-I778 PolarHBondContact O-N 2.88Å; W775-L779 HydrophobicContact CE3-CD1 4.12Å; W775-L779 PolarHBondContact O-N 3.16Å; W775-M780 HydrophobicContact CE3-CE 4.49Å; W775-M780 HydrophobicContact CH2-CE 3.65Å; W775-M780 HydrophobicContact CZ3-CE 3.56Å; W775-M780 HydrophobicContact CZ3-SD 4.43Å; W775-A820 HydrophobicContact CB-CB 4.17Å; W775-F823 HydrophobicContact CB-CB 3.77Å; W775-F823 HydrophobicContact CG-CB 3.95Å; W775-F824 HydrophobicContact CE3-CB 3.85Å; W775-F824 HydrophobicContact CE3-CD2 4.16Å; W775-F824 HydrophobicContact CE3-CG 4.4Å; W775-F824 AromaticContact CH2-CD2 3.73Å; W775-F824 HydrophobicContact CH2-CD2 3.73Å; W775-F824 HydrophobicContact CH2-CE2 4.41Å; W775-F824 HydrophobicContact CZ3-CB 4Å; W775-F824 AromaticContact CZ3-CD2 3.41Å; W775-F824 HydrophobicContact CZ3-CD2 3.41Å; W775-F824 VanDerWaalsContact CZ3-CD2 3.41Å; W775-F824 HydrophobicContact CZ3-CE2 4.26Å; W775-F824 HydrophobicContact CZ3-CG 4.05Å; W775-R853 HydrophobicContact CZ2-CG 4.35Å; W775-R853 PolarHBondContact NE1-O 3.34Å |
| 776 | E | 89.1 | Confident | 87.2 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.5 | -22.5 | 177.5 | 73.7 | -79.9 | -177.8 | 0 | 0 | 113.6 | A774 M780 G781 K782 R858 | A774-E776 VanDerWaalsContact CB-CD 3.45Å; A774-E776 VanDerWaalsContact CB-OE1 3.26Å; A774-E776 WeakPolarHBondContact CB-OE1 3.33Å; A774-E776 VanDerWaalsContact CB-OE2 3.3Å; A774-E776 WeakPolarHBondContact CB-OE2 3.24Å; A774-E776 PolarHBondContact O-N 2.86Å; E776-M780 HydrophobicContact CB-CE 3.57Å; E776-M780 CarbonylContact O-C 3.57Å; E776-M780 WeakPolarHBondContact O-CA 3.49Å; E776-M780 WeakPolarHBondContact O-CB 3.41Å; E776-M780 PolarHBondContact O-N 2.79Å; E776-M780 VanDerWaalsContact O-N 3.1Å; E776-G781 PolarHBondContact O-N 2.84Å; E776-K782 HydrophobicContact CB-CB 4.28Å; E776-K782 HydrophobicContact CG-CB 4.13Å; E776-K782 HydrophobicContact CG-CD 4.31Å; E776-K782 PolarHBondContact O-N 2.95Å; E776-R858 IonicContact OE1-CZ 3.14Å; E776-R858 IonicContact OE1-NH1 3.29Å; E776-R858 PolarHBondContact OE1-NH1 3.04Å; E776-R858 IonicContact OE1-NH2 2.65Å; E776-R858 PolarHBondContact OE1-NH2 2.9Å; E776-R858 IonicContact OE2-CZ 2.7Å; E776-R858 IonicContact OE2-NH1 2.7Å; E776-R858 IonicContact OE2-NH2 3.87Å; E776-R858 PolarHBondContact OE2-NH2 2.73Å |
| 777 | C | 88.9 | Confident | 88.8 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77.7 | -36.7 | 173.2 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | M773 A774 W775 G781 K782 F783 S787 | M773-C777 HydrophobicContact CB-CB 4.14Å; M773-C777 HydrophobicContact CE-CB 3.65Å; M773-C777 WeakPolarHBondContact CE-O 3.41Å; M773-C777 HydrophobicContact CG-CB 4.47Å; A774-C777 WeakPolarHBondContact O-CA 3.5Å; A774-C777 WeakPolarHBondContact O-CB 3.39Å; A774-C777 PolarHBondContact O-N 2.94Å; W775-C777 VanDerWaalsContact C-N 3.29Å; W775-C777 PolarHBondContact O-N 3.21Å; C777-G781 WeakPolarHBondContact O-CA 3.5Å; C777-G781 PolarHBondContact O-N 3.05Å; C777-K782 PolarHBondContact SG-O 2.87Å; C777-F783 HydrophobicContact CB-CD1 4.27Å; C777-F783 HydrophobicContact CB-CE1 4.04Å; C777-F783 HydrophobicContact CB-CZ 4.3Å; C777-S787 WeakPolarHBondContact SG-CB 3.36Å; C777-S787 PolarHBondContact SG-OG 3.12Å |
| 778 | I | 85.2 | Confident | 89.9 | Confident | 23 Ų | 23 | 26.6 Ų | 26.6 | 12% | 0.118 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74.2 | -48.4 | 179.7 | -61.4 | 169 | 0 | 0 | 0 | 110.4 | I770 M773 A774 W775 I817 A820 | I770-I778 HydrophobicContact CB-CD1 4.47Å; M773-I778 HydrophobicContact CB-CD1 4.03Å; M773-I778 HydrophobicContact CB-CG1 3.69Å; M773-I778 HydrophobicContact CE-CG1 3.96Å; M773-I778 HydrophobicContact SD-CG1 4.48Å; A774-I778 PolarHBondContact O-N 3.13Å; W775-I778 PolarHBondContact O-N 2.88Å; I778-I817 HydrophobicContact CG2-CG1 4.16Å; I778-I817 HydrophobicContact CG2-CG2 4.23Å; I778-A820 HydrophobicContact CB-CB 4.13Å; I778-A820 HydrophobicContact CD1-CB 3.75Å; I778-A820 HydrophobicContact CG2-CB 4.12Å |
| 779 | L | 81.8 | Confident | 90.6 | Very high | 70 Ų | 70 | 26.2 Ų | 26.2 | 37% | 0.366 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -87.2 | -26.7 | -174 | -57.5 | -174.2 | 0 | 0 | 0 | 114.3 | W775 F824 | W775-L779 HydrophobicContact CE3-CD1 4.12Å; W775-L779 PolarHBondContact O-N 3.16Å; L779-F824 HydrophobicContact CD1-CB 3.68Å; L779-F824 HydrophobicContact CD1-CD1 4.49Å; L779-F824 HydrophobicContact CD1-CG 4.17Å |
| 780 | M | 78.2 | Confident | 91 | Very high | 111 Ų | 111 | 26.6 Ų | 26.6 | 55% | 0.547 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -130.4 | 2.1 | -172.5 | -53.8 | -174.7 | -66.2 | 0 | 0 | 114.2 | W775 E776 K782 | W775-M780 HydrophobicContact CE3-CE 4.49Å; W775-M780 HydrophobicContact CH2-CE 3.65Å; W775-M780 HydrophobicContact CZ3-CE 3.56Å; W775-M780 HydrophobicContact CZ3-SD 4.43Å; E776-M780 HydrophobicContact CB-CE 3.57Å; E776-M780 CarbonylContact O-C 3.57Å; E776-M780 WeakPolarHBondContact O-CA 3.49Å; E776-M780 WeakPolarHBondContact O-CB 3.41Å; E776-M780 PolarHBondContact O-N 2.79Å; E776-M780 VanDerWaalsContact O-N 3.1Å; M780-K782 HydrophobicContact CB-CB 4.41Å; M780-K782 PolarHBondContact O-N 3.48Å; M780-K782 VanDerWaalsContact O-N 3.16Å |
| 781 | G | 79.1 | Confident | 91.3 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 35% | 0.351 | 14% | 0.144 | S | C | . | . | trans | 63.5 | 16 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E776 C777 F783 | E776-G781 PolarHBondContact O-N 2.84Å; C777-G781 WeakPolarHBondContact O-CA 3.5Å; C777-G781 PolarHBondContact O-N 3.05Å; G781-F783 WeakPolarHBondContact O-CD2 3.29Å; G781-F783 PolarHBondContact O-N 2.93Å; G781-F783 VanDerWaalsContact O-N 3.08Å | ||
| 782 | K | 81.9 | Confident | 91.4 | Very high | 106 Ų | 106 | 26.1 Ų | 26.1 | 46% | 0.461 | 14% | 0.143 | S | C | . | . | trans | -86.9 | 72.6 | -166.8 | -169.1 | -166.8 | 171.2 | -170.8 | 0 | 113.1 | E776 C777 M780 T784 | E776-K782 HydrophobicContact CB-CB 4.28Å; E776-K782 HydrophobicContact CG-CB 4.13Å; E776-K782 HydrophobicContact CG-CD 4.31Å; E776-K782 PolarHBondContact O-N 2.95Å; C777-K782 PolarHBondContact SG-O 2.87Å; M780-K782 HydrophobicContact CB-CB 4.41Å; M780-K782 PolarHBondContact O-N 3.48Å; M780-K782 VanDerWaalsContact O-N 3.16Å; K782-T784 HydrophobicContact CG-CG2 4.34Å | ||
| 783 | F | 85.6 | Confident | 91.5 | Very high | 35 Ų | 35 | 25.9 Ų | 25.9 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | trans | -70.2 | 127.5 | 175.9 | -62.7 | -86.9 | 0 | 0 | 0 | 112.9 | L540 V726 R728 L768 M773 C777 G781 | L540-F783 HydrophobicContact CD2-CE2 3.91Å; L540-F783 HydrophobicContact CD2-CZ 4.45Å; V726-F783 HydrophobicContact CG1-CB 4.39Å; R728-F783 HydrophobicContact CB-CD1 3.63Å; R728-F783 HydrophobicContact CB-CE1 3.9Å; R728-F783 HydrophobicContact CB-CG 4.33Å; R728-F783 HydrophobicContact CG-CB 3.9Å; R728-F783 HydrophobicContact CG-CD1 3.61Å; R728-F783 HydrophobicContact CG-CE1 4.31Å; R728-F783 HydrophobicContact CG-CG 3.82Å; L768-F783 HydrophobicContact CD2-CZ 4.48Å; M773-F783 HydrophobicContact CE-CE1 4.21Å; M773-F783 HydrophobicContact CE-CZ 3.87Å; C777-F783 HydrophobicContact CB-CD1 4.27Å; C777-F783 HydrophobicContact CB-CE1 4.04Å; C777-F783 HydrophobicContact CB-CZ 4.3Å; G781-F783 WeakPolarHBondContact O-CD2 3.29Å; G781-F783 PolarHBondContact O-N 2.93Å; G781-F783 VanDerWaalsContact O-N 3.08Å | ||
| 784 | T | 89.9 | Confident | 91.6 | Very high | 40 Ų | 40 | 25.5 Ų | 25.5 | 25% | 0.245 | 14% | 0.14 | C | C | . | . | trans | -147.9 | 171 | 179.5 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | K782 A786 S787 D788 | K782-T784 HydrophobicContact CG-CG2 4.34Å; T784-A786 PolarHBondContact O-N 2.97Å; T784-A786 VanDerWaalsContact O-N 3.16Å; T784-A786 PolarHBondContact OG1-N 3.45Å; T784-S787 PolarHBondContact N-OG 3.34Å; T784-S787 PolarHBondContact O-N 2.9Å; T784-S787 PolarHBondContact O-OG 2.94Å; T784-S787 PolarHBondContact OG1-N 2.68Å; T784-D788 PolarHBondContact O-N 2.88Å | ||
| 785 | T | 94.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 25.5 Ų | 25.5 | 28% | 0.282 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -56.3 | -29.2 | 169.4 | -41.4 | 0 | 0 | 0 | 0 | 112.6 | A721 D788 V789 F861 | A721-T785 HydrophobicContact CB-CG2 3.59Å; T785-D788 PolarHBondContact O-N 2.72Å; T785-V789 WeakPolarHBondContact O-CG2 3.3Å; T785-V789 PolarHBondContact O-N 3.02Å; T785-F861 HydrophobicContact CG2-CD2 4.12Å; T785-F861 HydrophobicContact CG2-CE2 4.05Å |
| 786 | A | 96.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 17% | 0.165 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.3 | -24.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T784 W790 R858 | T784-A786 PolarHBondContact O-N 2.97Å; T784-A786 VanDerWaalsContact O-N 3.16Å; T784-A786 PolarHBondContact OG1-N 3.45Å; A786-W790 PolarHBondContact O-N 2.73Å; A786-R858 VanDerWaalsContact O-CD 3.26Å; A786-R858 WeakPolarHBondContact O-CD 3.49Å; A786-R858 PolarHBondContact O-NH1 2.72Å |
| 787 | S | 94.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -80.8 | -30.2 | 169.1 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | C777 T784 V789 W790 A791 | C777-S787 WeakPolarHBondContact SG-CB 3.36Å; C777-S787 PolarHBondContact SG-OG 3.12Å; T784-S787 PolarHBondContact N-OG 3.34Å; T784-S787 PolarHBondContact O-N 2.9Å; T784-S787 PolarHBondContact O-OG 2.94Å; T784-S787 PolarHBondContact OG1-N 2.68Å; S787-V789 VanDerWaalsContact C-N 3.3Å; S787-W790 WeakPolarHBondContact O-CB 3.24Å; S787-W790 PolarHBondContact O-N 3.29Å; S787-A791 PolarHBondContact O-N 2.95Å |
| 788 | D | 97 | Very high | 92.8 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.1 | -34.9 | 169.5 | -76 | -8.1 | 0 | 0 | 0 | 111.4 | M717 V726 H727 R728 T784 T785 W790 A791 F792 F861 | M717-D788 HydrophobicContact CE-CB 3.74Å; V726-D788 VanDerWaalsContact CA-OD2 3.3Å; V726-D788 WeakPolarHBondContact CA-OD2 3.43Å; V726-D788 WeakPolarHBondContact CG1-OD1 3.32Å; V726-D788 WeakPolarHBondContact CG1-OD2 3.41Å; H727-D788 PolarHBondContact N-OD1 3.04Å; H727-D788 PolarHBondContact N-OD2 3.25Å; R728-D788 PolarHBondContact N-OD1 3.4Å; T784-D788 PolarHBondContact O-N 2.88Å; T785-D788 PolarHBondContact O-N 2.72Å; D788-W790 VanDerWaalsContact C-N 3.34Å; D788-A791 PolarHBondContact O-N 3.39Å; D788-F792 WeakPolarHBondContact O-CB 3.37Å; D788-F792 PolarHBondContact O-N 3.42Å; D788-F861 HydrophobicContact CB-CE2 4.09Å; D788-F861 HydrophobicContact CB-CZ 4.07Å |
| 789 | V | 98.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 171.6 | 164.2 | 0 | 0 | 0 | 0 | 111.8 | T785 S787 F792 G793 C850 R858 P859 F861 L864 | T785-V789 WeakPolarHBondContact O-CG2 3.3Å; T785-V789 PolarHBondContact O-N 3.02Å; S787-V789 VanDerWaalsContact C-N 3.3Å; V789-F792 WeakPolarHBondContact O-CB 3.28Å; V789-F792 PolarHBondContact O-N 3.19Å; V789-G793 PolarHBondContact O-N 3.33Å; V789-C850 HydrophobicContact CG1-CB 4.09Å; V789-C850 WeakPolarHBondContact O-CB 3.28Å; V789-R858 HydrophobicContact CG1-CB 3.86Å; V789-P859 HydrophobicContact CG1-CG 4.31Å; V789-P859 WeakPolarHBondContact CG1-O 3.36Å; V789-P859 WeakPolarHBondContact CG2-O 3.27Å; V789-F861 HydrophobicContact CB-CZ 4.4Å; V789-F861 HydrophobicContact CG2-CD1 4.48Å; V789-F861 HydrophobicContact CG2-CD2 3.93Å; V789-F861 HydrophobicContact CG2-CE1 4.18Å; V789-F861 HydrophobicContact CG2-CE2 3.58Å; V789-F861 HydrophobicContact CG2-CG 4.36Å; V789-F861 HydrophobicContact CG2-CZ 3.72Å; V789-L864 HydrophobicContact CG1-CD1 4.19Å; V789-L864 HydrophobicContact CG2-CD1 4.28Å |
| 790 | W | 98.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 5% | 0.045 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62 | -48.4 | 173.5 | -179.2 | -67.1 | 0 | 0 | 0 | 111.3 | M773 A774 A786 S787 D788 F792 G793 V794 F823 C850 W851 | M773-W790 PolarHBondContact O-NE1 2.71Å; M773-W790 VanDerWaalsContact O-NE1 3.17Å; A774-W790 HydrophobicContact CB-CB 3.79Å; A774-W790 HydrophobicContact CB-CD2 3.66Å; A774-W790 HydrophobicContact CB-CE3 3.91Å; A774-W790 HydrophobicContact CB-CG 3.62Å; A786-W790 PolarHBondContact O-N 2.73Å; S787-W790 WeakPolarHBondContact O-CB 3.24Å; S787-W790 PolarHBondContact O-N 3.29Å; D788-W790 VanDerWaalsContact C-N 3.34Å; W790-F792 VanDerWaalsContact C-N 3.27Å; W790-F792 PolarHBondContact O-N 2.95Å; W790-G793 WeakPolarHBondContact O-CA 3.47Å; W790-G793 PolarHBondContact O-N 2.84Å; W790-V794 PolarHBondContact O-N 2.95Å; W790-V794 VanDerWaalsContact O-N 3.15Å; W790-F823 AromaticContact CH2-CD1 3.73Å; W790-F823 HydrophobicContact CH2-CD1 3.73Å; W790-F823 HydrophobicContact CH2-CD2 4.07Å; W790-F823 AromaticContact CH2-CE1 3.65Å; W790-F823 HydrophobicContact CH2-CE1 3.65Å; W790-F823 HydrophobicContact CH2-CE2 4.02Å; W790-F823 AromaticContact CH2-CG 3.94Å; W790-F823 HydrophobicContact CH2-CG 3.94Å; W790-F823 AromaticContact CH2-CZ 3.81Å; W790-F823 HydrophobicContact CH2-CZ 3.81Å; W790-F823 HydrophobicContact CZ2-CD2 4.43Å; W790-F823 HydrophobicContact CZ2-CE1 4.49Å; W790-F823 HydrophobicContact CZ2-CE2 4.19Å; W790-F823 HydrophobicContact CZ2-CZ 4.22Å; W790-F823 HydrophobicContact CZ3-CD1 4.41Å; W790-F823 HydrophobicContact CZ3-CE1 4.4Å; W790-C850 WeakPolarHBondContact CA-O 3.35Å; W790-W851 AromaticContact CD1-CD1 3.9Å; W790-W851 HydrophobicContact CD2-CB 4.45Å; W790-W851 AromaticContact CD2-CD1 3.61Å; W790-W851 HydrophobicContact CD2-CG 4.39Å; W790-W851 AromaticContact CE2-CD1 3.71Å; W790-W851 HydrophobicContact CE3-CB 4.21Å; W790-W851 AromaticContact CG-CD1 3.73Å; W790-W851 HydrophobicContact CH2-CB 4.2Å; W790-W851 HydrophobicContact CZ2-CB 4.44Å; W790-W851 HydrophobicContact CZ3-CB 4.08Å; W790-W851 WeakPolarHBondContact CZ3-O 3.32Å; W790-W851 AromaticContact NE1-CD1 3.87Å; W790-W851 PolarHBondContact O-NE1 3.33Å |
| 791 | A | 98.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 3% | 0.033 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.9 | -34.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L730 W772 S787 D788 V794 T795 | L730-A791 HydrophobicContact CB-CB 4.09Å; W772-A791 HydrophobicContact CB-CB 4.42Å; W772-A791 WeakPolarHBondContact O-CA 3.39Å; W772-A791 WeakPolarHBondContact O-CB 3.43Å; S787-A791 PolarHBondContact O-N 2.95Å; D788-A791 PolarHBondContact O-N 3.39Å; A791-V794 PolarHBondContact O-N 2.91Å; A791-T795 WeakPolarHBondContact O-CB 3.25Å; A791-T795 PolarHBondContact O-N 2.83Å; A791-T795 PolarHBondContact O-OG1 3.26Å |
| 792 | F | 98.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 170.8 | 178.2 | -91 | 0 | 0 | 0 | 112.4 | I713 A714 L730 D788 V789 W790 V794 T795 L796 F861 L864 L868 | I713-F792 HydrophobicContact CB-CE2 4.04Å; I713-F792 HydrophobicContact CG2-CD2 3.85Å; I713-F792 HydrophobicContact CG2-CE2 3.8Å; A714-F792 HydrophobicContact CB-CE2 3.9Å; A714-F792 HydrophobicContact CB-CZ 3.84Å; L730-F792 HydrophobicContact CD2-CB 3.78Å; L730-F792 HydrophobicContact CD2-CD2 4.21Å; D788-F792 WeakPolarHBondContact O-CB 3.37Å; D788-F792 PolarHBondContact O-N 3.42Å; V789-F792 WeakPolarHBondContact O-CB 3.28Å; V789-F792 PolarHBondContact O-N 3.19Å; W790-F792 VanDerWaalsContact C-N 3.27Å; W790-F792 PolarHBondContact O-N 2.95Å; F792-V794 VanDerWaalsContact C-N 3.27Å; F792-V794 PolarHBondContact O-N 2.97Å; F792-T795 PolarHBondContact O-N 2.97Å; F792-T795 VanDerWaalsContact O-N 3.17Å; F792-L796 HydrophobicContact CE1-CB 4.37Å; F792-L796 HydrophobicContact CE1-CD2 4.39Å; F792-L796 WeakPolarHBondContact O-CB 3.45Å; F792-L796 PolarHBondContact O-N 2.78Å; F792-F861 HydrophobicContact CB-CE1 3.64Å; F792-F861 HydrophobicContact CB-CZ 4.13Å; F792-F861 HydrophobicContact CD1-CE1 4.46Å; F792-F861 HydrophobicContact CD2-CE1 4.01Å; F792-F861 AromaticContact CG-CE1 3.77Å; F792-F861 HydrophobicContact CG-CE1 3.77Å; F792-L864 HydrophobicContact CD1-CD1 3.69Å; F792-L864 HydrophobicContact CD1-CD2 4.36Å; F792-L864 HydrophobicContact CD1-CG 4.48Å; F792-L864 HydrophobicContact CE1-CB 4.25Å; F792-L864 HydrophobicContact CE1-CD1 4.04Å; F792-L864 HydrophobicContact CE1-CD2 4.16Å; F792-L864 HydrophobicContact CE1-CG 4.39Å; F792-L864 HydrophobicContact CG-CD1 4.4Å; F792-L868 HydrophobicContact CE1-CD1 4.11Å; F792-L868 HydrophobicContact CZ-CD1 3.63Å |
| 793 | G | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.6 | -42.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | V789 W790 W797 W851 | V789-G793 PolarHBondContact O-N 3.33Å; W790-G793 WeakPolarHBondContact O-CA 3.47Å; W790-G793 PolarHBondContact O-N 2.84Å; G793-W797 PolarHBondContact O-N 3.16Å; G793-W797 VanDerWaalsContact O-N 3.15Å; G793-W851 VanDerWaalsContact C-CZ2 3.44Å; G793-W851 WeakPolarHBondContact O-CZ2 3.29Å |
| 794 | V | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | W772 W790 A791 F792 L796 W797 E798 P807 L833 W851 | W772-V794 HydrophobicContact CD2-CG1 4.29Å; W772-V794 HydrophobicContact CG-CB 4.37Å; W772-V794 HydrophobicContact CG-CG1 3.95Å; W790-V794 PolarHBondContact O-N 2.95Å; W790-V794 VanDerWaalsContact O-N 3.15Å; A791-V794 PolarHBondContact O-N 2.91Å; F792-V794 VanDerWaalsContact C-N 3.27Å; F792-V794 PolarHBondContact O-N 2.97Å; V794-L796 VanDerWaalsContact C-N 3.34Å; V794-L796 PolarHBondContact O-N 2.82Å; V794-W797 WeakPolarHBondContact O-CA 3.5Å; V794-W797 WeakPolarHBondContact O-CB 3.37Å; V794-W797 PolarHBondContact O-N 3.04Å; V794-E798 PolarHBondContact O-N 2.98Å; V794-P807 HydrophobicContact CG1-CB 3.7Å; V794-P807 HydrophobicContact CG1-CG 3.45Å; V794-P807 VanDerWaalsContact CG1-CG 3.45Å; V794-L833 HydrophobicContact CB-CD1 4.41Å; V794-L833 HydrophobicContact CG1-CD1 4.03Å; V794-L833 HydrophobicContact CG2-CD1 4.11Å; V794-W851 HydrophobicContact CG2-CZ2 4.19Å |
| 795 | T | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | I713 L730 T732 A791 F792 W797 E798 V799 | I713-T795 HydrophobicContact CD1-CG2 4.1Å; L730-T795 PolarHBondContact O-OG1 2.87Å; T732-T795 HydrophobicContact CG2-CG2 4.05Å; A791-T795 WeakPolarHBondContact O-CB 3.25Å; A791-T795 PolarHBondContact O-N 2.83Å; A791-T795 PolarHBondContact O-OG1 3.26Å; F792-T795 PolarHBondContact O-N 2.97Å; F792-T795 VanDerWaalsContact O-N 3.17Å; T795-W797 VanDerWaalsContact C-N 3.3Å; T795-W797 PolarHBondContact O-N 3.45Å; T795-E798 WeakPolarHBondContact CA-OE2 3.46Å; T795-E798 WeakPolarHBondContact O-CB 3.26Å; T795-E798 PolarHBondContact O-N 3.48Å; T795-V799 WeakPolarHBondContact O-CG2 3.5Å; T795-V799 PolarHBondContact O-N 3.37Å |
| 796 | L | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.7 | -35.5 | 174 | -177.3 | 68.5 | 0 | 0 | 0 | 111.5 | A710 F792 V794 L800 L843 M847 L868 | A710-L796 HydrophobicContact CB-CD1 3.45Å; A710-L796 VanDerWaalsContact CB-CD1 3.45Å; F792-L796 HydrophobicContact CE1-CB 4.37Å; F792-L796 HydrophobicContact CE1-CD2 4.39Å; F792-L796 WeakPolarHBondContact O-CB 3.45Å; F792-L796 PolarHBondContact O-N 2.78Å; V794-L796 VanDerWaalsContact C-N 3.34Å; V794-L796 PolarHBondContact O-N 2.82Å; L796-L800 WeakPolarHBondContact O-CG 3.31Å; L796-L800 PolarHBondContact O-N 3.46Å; L796-L800 VanDerWaalsContact O-N 3.11Å; L796-L843 HydrophobicContact CD2-CD1 4.05Å; L796-M847 HydrophobicContact CB-CE 4.11Å; L796-M847 HydrophobicContact CD2-CE 3.86Å; L796-M847 HydrophobicContact CD2-CG 3.92Å; L796-M847 HydrophobicContact CG-CE 3.59Å; L796-L868 HydrophobicContact CD1-CD2 4.01Å |
| 797 | W | 98.4 | Very high | 97 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 5% | 0.053 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 173.7 | -178.9 | 96.4 | 0 | 0 | 0 | 111.5 | G793 V794 T795 V799 L800 M801 A805 P807 L833 S834 P836 M847 W851 | G793-W797 PolarHBondContact O-N 3.16Å; G793-W797 VanDerWaalsContact O-N 3.15Å; V794-W797 WeakPolarHBondContact O-CA 3.5Å; V794-W797 WeakPolarHBondContact O-CB 3.37Å; V794-W797 PolarHBondContact O-N 3.04Å; T795-W797 VanDerWaalsContact C-N 3.3Å; T795-W797 PolarHBondContact O-N 3.45Å; W797-V799 VanDerWaalsContact C-N 3.34Å; W797-V799 PolarHBondContact O-N 2.99Å; W797-L800 PolarHBondContact O-N 3.4Å; W797-M801 HydrophobicContact CD2-CG 3.88Å; W797-M801 HydrophobicContact CE3-CG 4.12Å; W797-M801 HydrophobicContact CH2-CE 4.3Å; W797-M801 HydrophobicContact CH2-CG 4.01Å; W797-M801 HydrophobicContact CZ2-CE 4.08Å; W797-M801 HydrophobicContact CZ2-CG 3.75Å; W797-M801 HydrophobicContact CZ2-SD 4.24Å; W797-M801 HydrophobicContact CZ3-CG 4.17Å; W797-M801 WeakPolarHBondContact O-CB 3.47Å; W797-M801 VanDerWaalsContact O-CG 3.25Å; W797-M801 WeakPolarHBondContact O-CG 3.29Å; W797-M801 PolarHBondContact O-N 3.37Å; W797-A805 HydrophobicContact CH2-CB 4.03Å; W797-A805 WeakPolarHBondContact CZ3-O 3.48Å; W797-P807 HydrophobicContact CE3-CB 4.43Å; W797-P807 HydrophobicContact CE3-CG 4.04Å; W797-P807 HydrophobicContact CZ3-CB 4.24Å; W797-P807 HydrophobicContact CZ3-CG 3.9Å; W797-L833 HydrophobicContact CB-CD1 4.17Å; W797-L833 HydrophobicContact CD2-CB 4.3Å; W797-L833 HydrophobicContact CD2-CD1 3.92Å; W797-L833 HydrophobicContact CE3-CD1 4.24Å; W797-L833 HydrophobicContact CG-CB 4.14Å; W797-L833 HydrophobicContact CG-CD1 3.88Å; W797-S834 PolarHBondContact NE1-O 2.98Å; W797-P836 HydrophobicContact CG-CG 4.15Å; W797-M847 HydrophobicContact CB-CE 4.1Å; W797-M847 HydrophobicContact CB-SD 4.44Å; W797-W851 HydrophobicContact CB-CH2 4.47Å |
| 798 | E | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.019 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56.3 | -47.2 | 173.5 | -65.2 | 176.1 | 83.4 | 0 | 0 | 111.6 | T732 W772 V794 T795 L800 M801 L802 C803 P807 | T732-E798 WeakPolarHBondContact CB-OE1 3.16Å; T732-E798 HydrophobicContact CG2-CB 3.51Å; T732-E798 HydrophobicContact CG2-CG 4.23Å; T732-E798 PolarHBondContact N-OE2 2.81Å; T732-E798 VanDerWaalsContact N-OE2 3.13Å; T732-E798 PolarHBondContact OG1-OE1 3.43Å; W772-E798 HydrophobicContact CZ2-CG 4.36Å; W772-E798 PolarHBondContact NE1-OE2 3.02Å; V794-E798 PolarHBondContact O-N 2.98Å; T795-E798 WeakPolarHBondContact CA-OE2 3.46Å; T795-E798 WeakPolarHBondContact O-CB 3.26Å; T795-E798 PolarHBondContact O-N 3.48Å; E798-L800 PolarHBondContact O-N 3.5Å; E798-M801 CarbonylContact O-C 3.15Å; E798-M801 PolarHBondContact O-N 3.08Å; E798-M801 VanDerWaalsContact O-N 3.16Å; E798-L802 PolarHBondContact O-N 3.48Å; E798-L802 VanDerWaalsContact O-N 3.1Å; E798-C803 PolarHBondContact O-N 3.32Å; E798-P807 HydrophobicContact CG-CG 4.12Å |
| 799 | V | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 179.8 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | L672 L676 L706 V709 T732 T795 W797 M801 L802 | L672-V799 HydrophobicContact CD2-CG2 4.17Å; L676-V799 HydrophobicContact CD1-CB 4.21Å; L676-V799 HydrophobicContact CD1-CG1 4.18Å; L676-V799 HydrophobicContact CD1-CG2 3.98Å; L706-V799 HydrophobicContact CB-CG1 4.14Å; L706-V799 HydrophobicContact CD2-CG1 3.92Å; V709-V799 HydrophobicContact CG1-CG1 4.23Å; V709-V799 HydrophobicContact CG1-CG2 4.28Å; T732-V799 HydrophobicContact CG2-CG2 3.99Å; T795-V799 WeakPolarHBondContact O-CG2 3.5Å; T795-V799 PolarHBondContact O-N 3.37Å; W797-V799 VanDerWaalsContact C-N 3.34Å; W797-V799 PolarHBondContact O-N 2.99Å; V799-M801 VanDerWaalsContact C-N 3.27Å; V799-M801 PolarHBondContact O-N 3.33Å; V799-L802 PolarHBondContact O-N 2.76Å |
| 800 | L | 96.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76.5 | -11 | 178.9 | -63.2 | -178.1 | 0 | 0 | 0 | 114.2 | Y703 L706 L796 W797 E798 P836 C839 L843 M847 | Y703-L800 HydrophobicContact CD2-CD2 4.28Å; Y703-L800 HydrophobicContact CE2-CD2 3.84Å; L706-L800 HydrophobicContact CB-CD2 4.16Å; L706-L800 HydrophobicContact CD1-CD2 4.33Å; L796-L800 WeakPolarHBondContact O-CG 3.31Å; L796-L800 PolarHBondContact O-N 3.46Å; L796-L800 VanDerWaalsContact O-N 3.11Å; W797-L800 PolarHBondContact O-N 3.4Å; E798-L800 PolarHBondContact O-N 3.5Å; L800-P836 HydrophobicContact CB-CB 3.84Å; L800-P836 HydrophobicContact CB-CG 3.94Å; L800-C839 HydrophobicContact CD1-CB 3.65Å; L800-C839 VanDerWaalsContact CD1-SG 3.59Å; L800-L843 HydrophobicContact CD1-CD2 3.63Å; L800-L843 HydrophobicContact CD1-CG 4.34Å; L800-M847 HydrophobicContact CD1-CE 3.7Å |
| 801 | M | 95.4 | Very high | 96.5 | Very high | 46 Ų | 46 | 28 Ų | 28 | 23% | 0.227 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 4.5 | 167.2 | -68.6 | -67.5 | -69.6 | 0 | 0 | 112.6 | W797 E798 V799 C803 R804 A805 P836 | W797-M801 HydrophobicContact CD2-CG 3.88Å; W797-M801 HydrophobicContact CE3-CG 4.12Å; W797-M801 HydrophobicContact CH2-CE 4.3Å; W797-M801 HydrophobicContact CH2-CG 4.01Å; W797-M801 HydrophobicContact CZ2-CE 4.08Å; W797-M801 HydrophobicContact CZ2-CG 3.75Å; W797-M801 HydrophobicContact CZ2-SD 4.24Å; W797-M801 HydrophobicContact CZ3-CG 4.17Å; W797-M801 WeakPolarHBondContact O-CB 3.47Å; W797-M801 VanDerWaalsContact O-CG 3.25Å; W797-M801 WeakPolarHBondContact O-CG 3.29Å; W797-M801 PolarHBondContact O-N 3.37Å; E798-M801 CarbonylContact O-C 3.15Å; E798-M801 PolarHBondContact O-N 3.08Å; E798-M801 VanDerWaalsContact O-N 3.16Å; V799-M801 VanDerWaalsContact C-N 3.27Å; V799-M801 PolarHBondContact O-N 3.33Å; M801-C803 PolarHBondContact O-N 3.02Å; M801-C803 VanDerWaalsContact O-N 3.14Å; M801-R804 WeakPolarHBondContact O-CB 3.33Å; M801-R804 PolarHBondContact O-N 2.85Å; M801-A805 HydrophobicContact CE-CB 3.93Å; M801-P836 HydrophobicContact CG-CB 4Å; M801-P836 HydrophobicContact CG-CG 3.95Å; M801-P836 HydrophobicContact SD-CB 3.68Å; M801-P836 HydrophobicContact SD-CG 4.1Å |
| 802 | L | 95.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 33.5 | -173.3 | -69.6 | 78.2 | 0 | 0 | 0 | 112.6 | L676 S677 H679 L681 I701 L706 E798 V799 R804 | L676-L802 CarbonylContact C-O 3.45Å; L676-L802 VanDerWaalsContact C-O 3.3Å; S677-L802 WeakPolarHBondContact CA-O 3.49Å; S677-L802 PolarHBondContact N-O 3.26Å; H679-L802 HydrophobicContact CB-CD2 4.5Å; H679-L802 WeakPolarHBondContact O-CD2 3.43Å; L681-L802 HydrophobicContact CB-CD2 4.47Å; I701-L802 HydrophobicContact CG2-CD2 3.9Å; L706-L802 HydrophobicContact CD1-CD1 4.12Å; E798-L802 PolarHBondContact O-N 3.48Å; E798-L802 VanDerWaalsContact O-N 3.1Å; V799-L802 PolarHBondContact O-N 2.76Å; L802-R804 HydrophobicContact CB-CG 4.33Å; L802-R804 PolarHBondContact O-N 2.99Å; L802-R804 VanDerWaalsContact O-N 3.08Å |
| 803 | C | 95.8 | Very high | 96 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 10% | 0.101 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 18.3 | -175.7 | -57 | 0 | 0 | 0 | 0 | 115.2 | L676 E798 M801 A805 | L676-C803 HydrophobicContact CB-CB 4.34Å; E798-C803 PolarHBondContact O-N 3.32Å; M801-C803 PolarHBondContact O-N 3.02Å; M801-C803 VanDerWaalsContact O-N 3.14Å; C803-A805 VanDerWaalsContact C-N 3.29Å; C803-A805 PolarHBondContact O-N 3.14Å |
| 804 | R | 94 | Very high | 95.6 | Very high | 150 Ų | 150 | 37.9 Ų | 37.9 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | trans | -80.7 | -1.3 | -176.8 | -64.3 | 179 | 172.2 | -82.3 | -10.3 | 114.7 | S677 H679 M801 L802 | S677-R804 PolarHBondContact O-NH2 2.83Å; H679-R804 PolarHBondContact O-NH2 2.93Å; M801-R804 WeakPolarHBondContact O-CB 3.33Å; M801-R804 PolarHBondContact O-N 2.85Å; L802-R804 HydrophobicContact CB-CG 4.33Å; L802-R804 PolarHBondContact O-N 2.99Å; L802-R804 VanDerWaalsContact O-N 3.08Å | ||
| 805 | A | 93.6 | Very high | 95.4 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -148 | 142.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | W797 M801 C803 | W797-A805 HydrophobicContact CH2-CB 4.03Å; W797-A805 WeakPolarHBondContact CZ3-O 3.48Å; M801-A805 HydrophobicContact CE-CB 3.93Å; C803-A805 VanDerWaalsContact C-N 3.29Å; C803-A805 PolarHBondContact O-N 3.14Å |
| 806 | Q | 94.8 | Very high | 95.2 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | trans | -74.4 | 140.6 | 172.4 | -165.6 | -173.7 | 49.6 | 0 | 0 | 110.2 | G757 D758 W772 F808 G809 | G757-Q806 PolarHBondContact O-NE2 2.9Å; D758-Q806 PolarHBondContact OD1-NE2 2.97Å; W772-Q806 HydrophobicContact CH2-CG 4.45Å; Q806-F808 PolarHBondContact O-N 3.29Å; Q806-G809 PolarHBondContact O-N 2.9Å | ||
| 807 | P | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 130.1 | 170.8 | -25 | 34.5 | 0 | 0 | 0 | 111.6 | R771 W772 V794 W797 E798 G809 L833 | R771-P807 HydrophobicContact CB-CB 4.35Å; R771-P807 PolarHBondContact NH1-O 3.08Å; W772-P807 HydrophobicContact CH2-CG 4.02Å; W772-P807 HydrophobicContact CZ2-CG 3.64Å; V794-P807 HydrophobicContact CG1-CB 3.7Å; V794-P807 HydrophobicContact CG1-CG 3.45Å; V794-P807 VanDerWaalsContact CG1-CG 3.45Å; W797-P807 HydrophobicContact CE3-CB 4.43Å; W797-P807 HydrophobicContact CE3-CG 4.04Å; W797-P807 HydrophobicContact CZ3-CB 4.24Å; W797-P807 HydrophobicContact CZ3-CG 3.9Å; E798-P807 HydrophobicContact CG-CG 4.12Å; P807-G809 PolarHBondContact O-N 3.08Å; P807-L833 HydrophobicContact CB-CD1 4.08Å; P807-L833 HydrophobicContact CB-CD2 3.98Å |
| 808 | F | 96.8 | Very high | 94.5 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.2 | -172.8 | -53.8 | -76.3 | 0 | 0 | 0 | 114.3 | R771 Q806 Q810 L811 V816 V831 L833 | R771-F808 PolarHBondContact NH1-O 3.02Å; Q806-F808 PolarHBondContact O-N 3.29Å; F808-Q810 VanDerWaalsContact C-OE1 3.27Å; F808-Q810 PolarHBondContact O-N 2.93Å; F808-L811 HydrophobicContact CB-CB 4.34Å; F808-L811 HydrophobicContact CB-CD1 4.18Å; F808-L811 HydrophobicContact CB-CG 4.38Å; F808-L811 HydrophobicContact CD1-CD1 4.06Å; F808-L811 HydrophobicContact CG-CD1 4.44Å; F808-L811 WeakPolarHBondContact O-CB 3.1Å; F808-L811 PolarHBondContact O-N 3.36Å; F808-V816 HydrophobicContact CB-CG2 3.88Å; F808-V816 HydrophobicContact CG-CG2 4.4Å; F808-V831 HydrophobicContact CE1-CG1 4.49Å; F808-V831 WeakPolarHBondContact CE1-O 3.45Å; F808-L833 HydrophobicContact CB-CD2 4.45Å; F808-L833 HydrophobicContact CD1-CD2 3.67Å; F808-L833 HydrophobicContact CD1-CG 4.47Å; F808-L833 HydrophobicContact CD2-CD2 3.69Å; F808-L833 HydrophobicContact CD2-CG 4.4Å; F808-L833 HydrophobicContact CE1-CD2 3.7Å; F808-L833 HydrophobicContact CE1-CG 3.99Å; F808-L833 HydrophobicContact CE2-CD1 4.42Å; F808-L833 HydrophobicContact CE2-CD2 3.73Å; F808-L833 HydrophobicContact CE2-CG 3.93Å; F808-L833 HydrophobicContact CG-CD2 3.66Å; F808-L833 HydrophobicContact CZ-CD2 3.74Å; F808-L833 HydrophobicContact CZ-CG 3.71Å |
| 809 | G | 93.5 | Very high | 94.4 | Very high | 50 Ų | 50 | 49.9 Ų | 49.9 | 52% | 0.515 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -11.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q806 P807 | Q806-G809 PolarHBondContact O-N 2.9Å; P807-G809 PolarHBondContact O-N 3.08Å |
| 810 | Q | 93.2 | Very high | 94.1 | Very high | 122 Ų | 122 | 50.1 Ų | 50.1 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.6 | 170.5 | 78.1 | -74.6 | 3.2 | 0 | 0 | 114.7 | F808 | F808-Q810 VanDerWaalsContact C-OE1 3.27Å; F808-Q810 PolarHBondContact O-N 2.93Å |
| 811 | L | 95.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -117.8 | 144.2 | -178.8 | -58.3 | -175.5 | 0 | 0 | 0 | 110.9 | R771 F808 Q815 V816 | R771-L811 PolarHBondContact NH1-O 3.4Å; R771-L811 PolarHBondContact NH2-O 2.91Å; F808-L811 HydrophobicContact CB-CB 4.34Å; F808-L811 HydrophobicContact CB-CD1 4.18Å; F808-L811 HydrophobicContact CB-CG 4.38Å; F808-L811 HydrophobicContact CD1-CD1 4.06Å; F808-L811 HydrophobicContact CG-CD1 4.44Å; F808-L811 WeakPolarHBondContact O-CB 3.1Å; F808-L811 PolarHBondContact O-N 3.36Å; L811-Q815 HydrophobicContact CB-CB 3.94Å; L811-Q815 HydrophobicContact CD2-CB 4.41Å; L811-V816 HydrophobicContact CB-CG2 4.1Å |
| 812 | T | 95.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | trans | -70.6 | 166.5 | 167.9 | 83.6 | 0 | 0 | 0 | 0 | 111.3 | E814 Q815 V816 | T812-E814 VanDerWaalsContact C-N 3.28Å; T812-E814 WeakPolarHBondContact CB-OE2 3.35Å; T812-E814 PolarHBondContact O-N 3.3Å; T812-E814 PolarHBondContact OG1-N 3.46Å; T812-E814 PolarHBondContact OG1-OE2 2.91Å; T812-Q815 WeakPolarHBondContact O-CB 3.33Å; T812-Q815 PolarHBondContact O-N 3.31Å; T812-Q815 VanDerWaalsContact O-N 3.12Å; T812-Q815 PolarHBondContact OG1-N 2.92Å; T812-V816 WeakPolarHBondContact O-CG2 3.49Å; T812-V816 PolarHBondContact O-N 3.48Å | ||
| 813 | D | 91 | Very high | 93.4 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 20% | 0.198 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 178.7 | -72.6 | -10.4 | 0 | 0 | 0 | 112.1 | Y760 I770 R771 V816 I817 | Y760-D813 HydrophobicContact CD2-CB 3.45Å; Y760-D813 VanDerWaalsContact CD2-CB 3.45Å; Y760-D813 WeakPolarHBondContact CD2-OD2 3.39Å; Y760-D813 HydrophobicContact CE2-CB 3.76Å; Y760-D813 HydrophobicContact CG-CB 4.13Å; I770-D813 HydrophobicContact CD1-CB 3.68Å; I770-D813 WeakPolarHBondContact CD1-O 3.4Å; R771-D813 IonicContact CZ-OD1 3.84Å; R771-D813 VanDerWaalsContact CZ-OD1 3.3Å; R771-D813 IonicContact NE-OD1 2.64Å; R771-D813 PolarHBondContact NE-OD1 2.95Å; R771-D813 IonicContact NH2-OD1 2.74Å; R771-D813 PolarHBondContact NH2-OD1 3.33Å; D813-V816 PolarHBondContact O-N 3.31Å; D813-I817 WeakPolarHBondContact O-CG1 3.44Å; D813-I817 PolarHBondContact O-N 2.95Å |
| 814 | E | 90.4 | Very high | 93.1 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 50% | 0.495 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 172.6 | -59.1 | 70.6 | -153.8 | 0 | 0 | 111.6 | T812 V816 I817 E818 | T812-E814 VanDerWaalsContact C-N 3.28Å; T812-E814 WeakPolarHBondContact CB-OE2 3.35Å; T812-E814 PolarHBondContact O-N 3.3Å; T812-E814 PolarHBondContact OG1-N 3.46Å; T812-E814 PolarHBondContact OG1-OE2 2.91Å; E814-V816 VanDerWaalsContact C-N 3.35Å; E814-I817 PolarHBondContact O-N 3.49Å; E814-E818 PolarHBondContact O-N 2.9Å |
| 815 | Q | 93.9 | Very high | 92.8 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.1 | -30.5 | 176.3 | -69.2 | 177.9 | -38.3 | 0 | 0 | 112.4 | L811 T812 E818 N819 | L811-Q815 HydrophobicContact CB-CB 3.94Å; L811-Q815 HydrophobicContact CD2-CB 4.41Å; T812-Q815 WeakPolarHBondContact O-CB 3.33Å; T812-Q815 PolarHBondContact O-N 3.31Å; T812-Q815 VanDerWaalsContact O-N 3.12Å; T812-Q815 PolarHBondContact OG1-N 2.92Å; Q815-E818 PolarHBondContact O-N 2.9Å; Q815-N819 VanDerWaalsContact O-CB 3.32Å; Q815-N819 WeakPolarHBondContact O-CB 3.04Å; Q815-N819 PolarHBondContact O-N 3.3Å |
| 816 | V | 94.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 170.5 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | I770 R771 F808 L811 T812 D813 E814 N819 A820 | I770-V816 HydrophobicContact CB-CG1 4.43Å; I770-V816 HydrophobicContact CD1-CB 4.15Å; I770-V816 HydrophobicContact CD1-CG1 4.05Å; I770-V816 HydrophobicContact CG1-CG1 4.18Å; R771-V816 HydrophobicContact CG-CG1 4.24Å; R771-V816 HydrophobicContact CG-CG2 4.19Å; F808-V816 HydrophobicContact CB-CG2 3.88Å; F808-V816 HydrophobicContact CG-CG2 4.4Å; L811-V816 HydrophobicContact CB-CG2 4.1Å; T812-V816 WeakPolarHBondContact O-CG2 3.49Å; T812-V816 PolarHBondContact O-N 3.48Å; D813-V816 PolarHBondContact O-N 3.31Å; E814-V816 VanDerWaalsContact C-N 3.35Å; V816-N819 PolarHBondContact O-N 2.91Å; V816-A820 PolarHBondContact O-N 3.19Å; V816-A820 VanDerWaalsContact O-N 3.16Å |
| 817 | I | 90.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 173.7 | -65.9 | 163.8 | 0 | 0 | 0 | 111.4 | Y760 I770 I778 D813 E814 N819 A820 G821 | Y760-I817 HydrophobicContact CD1-CD1 3.74Å; Y760-I817 HydrophobicContact CE1-CD1 3.37Å; I770-I817 HydrophobicContact CD1-CD1 4.17Å; I770-I817 HydrophobicContact CD1-CG1 4.01Å; I778-I817 HydrophobicContact CG2-CG1 4.16Å; I778-I817 HydrophobicContact CG2-CG2 4.23Å; D813-I817 WeakPolarHBondContact O-CG1 3.44Å; D813-I817 PolarHBondContact O-N 2.95Å; E814-I817 PolarHBondContact O-N 3.49Å; I817-N819 VanDerWaalsContact C-N 3.34Å; I817-N819 PolarHBondContact O-N 3.49Å; I817-A820 WeakPolarHBondContact O-CB 3.45Å; I817-A820 PolarHBondContact O-N 2.98Å; I817-G821 PolarHBondContact O-N 2.83Å; I817-G821 VanDerWaalsContact O-N 3.16Å |
| 818 | E | 91.9 | Very high | 92 | Very high | 120 Ų | 120 | 57.2 Ų | 57.2 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 173.2 | -177.7 | 170.3 | -148.9 | 0 | 0 | 111.8 | E814 Q815 A820 G821 E822 | E814-E818 PolarHBondContact O-N 2.9Å; Q815-E818 PolarHBondContact O-N 2.9Å; E818-A820 VanDerWaalsContact C-N 3.32Å; E818-A820 PolarHBondContact O-N 3.22Å; E818-G821 CarbonylContact O-C 3.6Å; E818-G821 VanDerWaalsContact O-CA 3.24Å; E818-G821 WeakPolarHBondContact O-CA 3.33Å; E818-G821 PolarHBondContact O-N 3.39Å; E818-E822 PolarHBondContact O-N 2.93Å |
| 819 | N | 94.7 | Very high | 91.9 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 175.2 | -170.9 | 29.7 | 0 | 0 | 0 | 112 | Q815 V816 I817 G821 E822 F823 V831 | Q815-N819 VanDerWaalsContact O-CB 3.32Å; Q815-N819 WeakPolarHBondContact O-CB 3.04Å; Q815-N819 PolarHBondContact O-N 3.3Å; V816-N819 PolarHBondContact O-N 2.91Å; I817-N819 VanDerWaalsContact C-N 3.34Å; I817-N819 PolarHBondContact O-N 3.49Å; N819-G821 VanDerWaalsContact C-N 3.26Å; N819-G821 PolarHBondContact O-N 3.03Å; N819-E822 PolarHBondContact O-N 3.43Å; N819-F823 WeakPolarHBondContact O-CD2 3.28Å; N819-F823 PolarHBondContact O-N 3.23Å; N819-V831 PolarHBondContact ND2-O 3.25Å; N819-V831 PolarHBondContact OD1-N 2.84Å |
| 820 | A | 92.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -35 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W775 I778 V816 I817 E818 E822 F823 F824 | W775-A820 HydrophobicContact CB-CB 4.17Å; I778-A820 HydrophobicContact CB-CB 4.13Å; I778-A820 HydrophobicContact CD1-CB 3.75Å; I778-A820 HydrophobicContact CG2-CB 4.12Å; V816-A820 PolarHBondContact O-N 3.19Å; V816-A820 VanDerWaalsContact O-N 3.16Å; I817-A820 WeakPolarHBondContact O-CB 3.45Å; I817-A820 PolarHBondContact O-N 2.98Å; E818-A820 VanDerWaalsContact C-N 3.32Å; E818-A820 PolarHBondContact O-N 3.22Å; A820-E822 VanDerWaalsContact C-N 3.35Å; A820-F823 PolarHBondContact O-N 2.9Å; A820-F824 PolarHBondContact O-N 2.8Å; A820-F824 VanDerWaalsContact O-N 3.1Å |
| 821 | G | 87.4 | Confident | 92 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I817 E818 N819 F824 R825 | I817-G821 PolarHBondContact O-N 2.83Å; I817-G821 VanDerWaalsContact O-N 3.16Å; E818-G821 CarbonylContact O-C 3.6Å; E818-G821 VanDerWaalsContact O-CA 3.24Å; E818-G821 WeakPolarHBondContact O-CA 3.33Å; E818-G821 PolarHBondContact O-N 3.39Å; N819-G821 VanDerWaalsContact C-N 3.26Å; N819-G821 PolarHBondContact O-N 3.03Å; G821-F824 PolarHBondContact O-N 2.83Å; G821-R825 WeakPolarHBondContact O-CB 3.31Å; G821-R825 WeakPolarHBondContact O-CD 3.38Å; G821-R825 WeakPolarHBondContact O-CG 3.25Å; G821-R825 PolarHBondContact O-N 2.7Å |
| 822 | E | 93.5 | Very high | 92.1 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.5 | -36.2 | 175.4 | -70.1 | -57.6 | 153.3 | 0 | 0 | 113.5 | E818 N819 A820 F824 R825 D826 R829 Q830 | E818-E822 PolarHBondContact O-N 2.93Å; N819-E822 PolarHBondContact O-N 3.43Å; A820-E822 VanDerWaalsContact C-N 3.35Å; E822-F824 VanDerWaalsContact C-N 3.27Å; E822-F824 PolarHBondContact O-N 3.25Å; E822-R825 PolarHBondContact O-N 3.16Å; E822-R825 VanDerWaalsContact OE1-CD 3.28Å; E822-R825 WeakPolarHBondContact OE1-CD 3.38Å; E822-R825 IonicContact OE1-CZ 3.66Å; E822-R825 IonicContact OE1-NE 2.9Å; E822-R825 IonicContact OE1-NH1 3.26Å; E822-R825 PolarHBondContact OE1-NH1 2.92Å; E822-D826 PolarHBondContact O-N 2.83Å; E822-R829 HydrophobicContact CB-CB 4.44Å; E822-R829 VanDerWaalsContact CD-NE 3.3Å; E822-R829 VanDerWaalsContact CD-NH2 3.3Å; E822-R829 HydrophobicContact CG-CB 4.07Å; E822-R829 IonicContact OE1-CZ 2.9Å; E822-R829 IonicContact OE1-NE 3.31Å; E822-R829 PolarHBondContact OE1-NE 2.9Å; E822-R829 IonicContact OE1-NH2 2.71Å; E822-R829 PolarHBondContact OE1-NH2 2.85Å; E822-R829 IonicContact OE2-CZ 2.97Å; E822-R829 IonicContact OE2-NE 2.71Å; E822-R829 PolarHBondContact OE2-NE 3.1Å; E822-R829 IonicContact OE2-NH2 3.12Å; E822-R829 PolarHBondContact OE2-NH2 2.91Å; E822-Q830 HydrophobicContact CB-CB 4.23Å |
| 823 | F | 92.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 168 | -85.4 | -76.9 | 0 | 0 | 0 | 112.3 | W775 W790 N819 A820 Q830 Y832 R853 | W775-F823 HydrophobicContact CB-CB 3.77Å; W775-F823 HydrophobicContact CG-CB 3.95Å; W790-F823 AromaticContact CH2-CD1 3.73Å; W790-F823 HydrophobicContact CH2-CD1 3.73Å; W790-F823 HydrophobicContact CH2-CD2 4.07Å; W790-F823 AromaticContact CH2-CE1 3.65Å; W790-F823 HydrophobicContact CH2-CE1 3.65Å; W790-F823 HydrophobicContact CH2-CE2 4.02Å; W790-F823 AromaticContact CH2-CG 3.94Å; W790-F823 HydrophobicContact CH2-CG 3.94Å; W790-F823 AromaticContact CH2-CZ 3.81Å; W790-F823 HydrophobicContact CH2-CZ 3.81Å; W790-F823 HydrophobicContact CZ2-CD2 4.43Å; W790-F823 HydrophobicContact CZ2-CE1 4.49Å; W790-F823 HydrophobicContact CZ2-CE2 4.19Å; W790-F823 HydrophobicContact CZ2-CZ 4.22Å; W790-F823 HydrophobicContact CZ3-CD1 4.41Å; W790-F823 HydrophobicContact CZ3-CE1 4.4Å; N819-F823 WeakPolarHBondContact O-CD2 3.28Å; N819-F823 PolarHBondContact O-N 3.23Å; A820-F823 PolarHBondContact O-N 2.9Å; F823-Q830 HydrophobicContact CD1-CB 4.02Å; F823-Q830 HydrophobicContact CD1-CG 4.03Å; F823-Q830 HydrophobicContact CD2-CB 3.87Å; F823-Q830 HydrophobicContact CE1-CB 4.09Å; F823-Q830 HydrophobicContact CE1-CG 3.94Å; F823-Q830 HydrophobicContact CE2-CB 3.93Å; F823-Q830 HydrophobicContact CG-CB 3.91Å; F823-Q830 HydrophobicContact CG-CG 4.43Å; F823-Q830 HydrophobicContact CZ-CB 4.04Å; F823-Q830 HydrophobicContact CZ-CG 4.23Å; F823-Y832 HydrophobicContact CE1-CD1 4.18Å; F823-Y832 AromaticContact CE1-CE1 3.47Å; F823-Y832 HydrophobicContact CE1-CE1 3.47Å; F823-Y832 VanDerWaalsContact CE1-CE1 3.47Å; F823-Y832 HydrophobicContact CE1-CE2 4.48Å; F823-Y832 AromaticContact CE1-CZ 3.64Å; F823-Y832 AromaticContact CZ-CD1 3.84Å; F823-Y832 HydrophobicContact CZ-CD1 3.84Å; F823-Y832 AromaticContact CZ-CE1 3.62Å; F823-Y832 HydrophobicContact CZ-CE1 3.62Å; F823-Y832 HydrophobicContact CZ-CE2 4.49Å; F823-Y832 HydrophobicContact CZ-CG 4.39Å; F823-Y832 AromaticContact CZ-CZ 3.96Å; F823-R853 WeakPolarHBondContact O-CD 3.25Å; F823-R853 WeakPolarHBondContact O-CG 3.37Å; F823-R853 PolarHBondContact O-NE 2.89Å; F823-R853 VanDerWaalsContact O-NE 3.15Å |
| 824 | F | 88.4 | Confident | 92.5 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 47% | 0.469 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.1 | -41.1 | 173.1 | 174.3 | -115 | 0 | 0 | 0 | 112.7 | W775 L779 A820 G821 E822 D826 R853 | W775-F824 HydrophobicContact CE3-CB 3.85Å; W775-F824 HydrophobicContact CE3-CD2 4.16Å; W775-F824 HydrophobicContact CE3-CG 4.4Å; W775-F824 AromaticContact CH2-CD2 3.73Å; W775-F824 HydrophobicContact CH2-CD2 3.73Å; W775-F824 HydrophobicContact CH2-CE2 4.41Å; W775-F824 HydrophobicContact CZ3-CB 4Å; W775-F824 AromaticContact CZ3-CD2 3.41Å; W775-F824 HydrophobicContact CZ3-CD2 3.41Å; W775-F824 VanDerWaalsContact CZ3-CD2 3.41Å; W775-F824 HydrophobicContact CZ3-CE2 4.26Å; W775-F824 HydrophobicContact CZ3-CG 4.05Å; L779-F824 HydrophobicContact CD1-CB 3.68Å; L779-F824 HydrophobicContact CD1-CD1 4.49Å; L779-F824 HydrophobicContact CD1-CG 4.17Å; A820-F824 PolarHBondContact O-N 2.8Å; A820-F824 VanDerWaalsContact O-N 3.1Å; G821-F824 PolarHBondContact O-N 2.83Å; E822-F824 VanDerWaalsContact C-N 3.27Å; E822-F824 PolarHBondContact O-N 3.25Å; F824-D826 VanDerWaalsContact C-N 3.35Å; F824-R853 PolarHBondContact O-NE 3.32Å; F824-R853 PolarHBondContact O-NH2 2.79Å |
| 825 | R | 88.5 | Confident | 92.9 | Very high | 66 Ų | 66 | 60 Ų | 60 | 25% | 0.249 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.9 | -29.3 | -179.7 | -72.9 | 162.2 | -177.5 | 156.9 | 6.5 | 113.9 | G821 E822 Q827 | G821-R825 WeakPolarHBondContact O-CB 3.31Å; G821-R825 WeakPolarHBondContact O-CD 3.38Å; G821-R825 WeakPolarHBondContact O-CG 3.25Å; G821-R825 PolarHBondContact O-N 2.7Å; E822-R825 PolarHBondContact O-N 3.16Å; E822-R825 VanDerWaalsContact OE1-CD 3.28Å; E822-R825 WeakPolarHBondContact OE1-CD 3.38Å; E822-R825 IonicContact OE1-CZ 3.66Å; E822-R825 IonicContact OE1-NE 2.9Å; E822-R825 IonicContact OE1-NH1 3.26Å; E822-R825 PolarHBondContact OE1-NH1 2.92Å; R825-Q827 WeakPolarHBondContact O-CG 3Å; R825-Q827 PolarHBondContact O-NE2 2.76Å |
| 826 | D | 90 | Very high | 92.9 | Very high | 89 Ų | 89 | 56 Ų | 56 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 55.8 | -179.2 | -156.2 | 19.8 | 0 | 0 | 0 | 114.9 | E822 F824 Q830 | E822-D826 PolarHBondContact O-N 2.83Å; F824-D826 VanDerWaalsContact C-N 3.35Å; D826-Q830 PolarHBondContact OD1-NE2 3.48Å |
| 827 | Q | 89.8 | Confident | 92.7 | Very high | 118 Ų | 118 | 61.3 Ų | 61.3 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -116.4 | 21.4 | -175.6 | -75.4 | 162.6 | 36.3 | 0 | 0 | 113 | R825 R829 | R825-Q827 WeakPolarHBondContact O-CG 3Å; R825-Q827 PolarHBondContact O-NE2 2.76Å; Q827-R829 PolarHBondContact O-N 2.85Å; Q827-R829 VanDerWaalsContact OE1-CZ 3.3Å |
| 828 | G | 90 | Very high | 92.3 | Very high | 70 Ų | 70 | 60 Ų | 60 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 69.2 | 15.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q830 | G828-Q830 VanDerWaalsContact CA-OE1 3.3Š|
| 829 | R | 93.1 | Very high | 92.3 | Very high | 125 Ų | 125 | 54.3 Ų | 54.3 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | trans | -99.8 | -8.7 | 176.2 | -64.3 | -170.2 | -60.5 | -86.5 | -7.2 | 113.2 | E822 Q827 | E822-R829 HydrophobicContact CB-CB 4.44Å; E822-R829 VanDerWaalsContact CD-NE 3.3Å; E822-R829 VanDerWaalsContact CD-NH2 3.3Å; E822-R829 HydrophobicContact CG-CB 4.07Å; E822-R829 IonicContact OE1-CZ 2.9Å; E822-R829 IonicContact OE1-NE 3.31Å; E822-R829 PolarHBondContact OE1-NE 2.9Å; E822-R829 IonicContact OE1-NH2 2.71Å; E822-R829 PolarHBondContact OE1-NH2 2.85Å; E822-R829 IonicContact OE2-CZ 2.97Å; E822-R829 IonicContact OE2-NE 2.71Å; E822-R829 PolarHBondContact OE2-NE 3.1Å; E822-R829 IonicContact OE2-NH2 3.12Å; E822-R829 PolarHBondContact OE2-NH2 2.91Å; Q827-R829 PolarHBondContact O-N 2.85Å; Q827-R829 VanDerWaalsContact OE1-CZ 3.3Å | ||
| 830 | Q | 94.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 135.6 | 176.9 | 61 | -91.9 | 39.1 | 0 | 0 | 111.6 | E822 F823 D826 G828 Y832 | E822-Q830 HydrophobicContact CB-CB 4.23Å; F823-Q830 HydrophobicContact CD1-CB 4.02Å; F823-Q830 HydrophobicContact CD1-CG 4.03Å; F823-Q830 HydrophobicContact CD2-CB 3.87Å; F823-Q830 HydrophobicContact CE1-CB 4.09Å; F823-Q830 HydrophobicContact CE1-CG 3.94Å; F823-Q830 HydrophobicContact CE2-CB 3.93Å; F823-Q830 HydrophobicContact CG-CB 3.91Å; F823-Q830 HydrophobicContact CG-CG 4.43Å; F823-Q830 HydrophobicContact CZ-CB 4.04Å; F823-Q830 HydrophobicContact CZ-CG 4.23Å; D826-Q830 PolarHBondContact OD1-NE2 3.48Å; G828-Q830 VanDerWaalsContact CA-OE1 3.3Å; Q830-Y832 HydrophobicContact CG-CE2 3.73Å |
| 831 | V | 96 | Very high | 92.1 | Very high | 61 Ų | 61 | 60.9 Ų | 60.9 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 125.4 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | F808 N819 | F808-V831 HydrophobicContact CE1-CG1 4.49Å; F808-V831 WeakPolarHBondContact CE1-O 3.45Å; N819-V831 PolarHBondContact ND2-O 3.25Å; N819-V831 PolarHBondContact OD1-N 2.84Å |
| 832 | Y | 97.3 | Very high | 92.3 | Very high | 78 Ų | 78 | 62 Ų | 62 | 31% | 0.306 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 160.2 | 173.3 | -61.7 | -91.9 | 0 | 0 | 0 | 110.8 | F823 Q830 S834 L848 W851 | F823-Y832 HydrophobicContact CE1-CD1 4.18Å; F823-Y832 AromaticContact CE1-CE1 3.47Å; F823-Y832 HydrophobicContact CE1-CE1 3.47Å; F823-Y832 VanDerWaalsContact CE1-CE1 3.47Å; F823-Y832 HydrophobicContact CE1-CE2 4.48Å; F823-Y832 AromaticContact CE1-CZ 3.64Å; F823-Y832 AromaticContact CZ-CD1 3.84Å; F823-Y832 HydrophobicContact CZ-CD1 3.84Å; F823-Y832 AromaticContact CZ-CE1 3.62Å; F823-Y832 HydrophobicContact CZ-CE1 3.62Å; F823-Y832 HydrophobicContact CZ-CE2 4.49Å; F823-Y832 HydrophobicContact CZ-CG 4.39Å; F823-Y832 AromaticContact CZ-CZ 3.96Å; Q830-Y832 HydrophobicContact CG-CE2 3.73Å; Y832-S834 PolarHBondContact O-N 2.81Å; Y832-L848 HydrophobicContact CD1-CD2 3.75Å; Y832-L848 HydrophobicContact CE1-CD2 4.32Å; Y832-L848 HydrophobicContact CG-CD2 3.92Å; Y832-W851 HydrophobicContact CD1-CB 4.13Å; Y832-W851 HydrophobicContact CD1-CE3 4.02Å; Y832-W851 HydrophobicContact CE1-CB 4.07Å |
| 833 | L | 97.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 127.4 | 171.4 | -64.7 | 173 | 0 | 0 | 0 | 110.1 | V794 W797 P807 F808 Y844 W851 | V794-L833 HydrophobicContact CB-CD1 4.41Å; V794-L833 HydrophobicContact CG1-CD1 4.03Å; V794-L833 HydrophobicContact CG2-CD1 4.11Å; W797-L833 HydrophobicContact CB-CD1 4.17Å; W797-L833 HydrophobicContact CD2-CB 4.3Å; W797-L833 HydrophobicContact CD2-CD1 3.92Å; W797-L833 HydrophobicContact CE3-CD1 4.24Å; W797-L833 HydrophobicContact CG-CB 4.14Å; W797-L833 HydrophobicContact CG-CD1 3.88Å; P807-L833 HydrophobicContact CB-CD1 4.08Å; P807-L833 HydrophobicContact CB-CD2 3.98Å; F808-L833 HydrophobicContact CB-CD2 4.45Å; F808-L833 HydrophobicContact CD1-CD2 3.67Å; F808-L833 HydrophobicContact CD1-CG 4.47Å; F808-L833 HydrophobicContact CD2-CD2 3.69Å; F808-L833 HydrophobicContact CD2-CG 4.4Å; F808-L833 HydrophobicContact CE1-CD2 3.7Å; F808-L833 HydrophobicContact CE1-CG 3.99Å; F808-L833 HydrophobicContact CE2-CD1 4.42Å; F808-L833 HydrophobicContact CE2-CD2 3.73Å; F808-L833 HydrophobicContact CE2-CG 3.93Å; F808-L833 HydrophobicContact CG-CD2 3.66Å; F808-L833 HydrophobicContact CZ-CD2 3.74Å; F808-L833 HydrophobicContact CZ-CG 3.71Å; L833-Y844 WeakPolarHBondContact O-CE2 3.27Å; L833-Y844 PolarHBondContact O-OH 2.81Å; L833-Y844 VanDerWaalsContact O-OH 3.14Å; L833-W851 HydrophobicContact CB-CH2 3.76Å; L833-W851 HydrophobicContact CB-CZ2 4.44Å; L833-W851 HydrophobicContact CB-CZ3 4.16Å; L833-W851 HydrophobicContact CD1-CH2 3.93Å; L833-W851 HydrophobicContact CD1-CZ2 3.79Å; L833-W851 HydrophobicContact CG-CH2 4.24Å; L833-W851 HydrophobicContact CG-CZ2 4.45Å |
| 834 | S | 96.7 | Very high | 92.6 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 60% | 0.601 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 141.7 | -179.5 | -53.8 | 0 | 0 | 0 | 0 | 112.8 | W797 Y832 P836 | W797-S834 PolarHBondContact NE1-O 2.98Å; Y832-S834 PolarHBondContact O-N 2.81Å; S834-P836 WeakPolarHBondContact O-CD 3.32Å |
| 835 | R | 97.3 | Very high | 92.9 | Very high | 116 Ų | 116 | 62.3 Ų | 62.3 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 120.6 | 176.9 | -174.2 | 174 | 68.4 | 70.2 | 4.7 | 111.5 | C839 Y844 | R835-C839 WeakPolarHBondContact CD-O 3.37Å; R835-C839 HydrophobicContact CG-CB 4.04Å; R835-C839 PolarHBondContact NH1-O 3.12Å; R835-Y844 VanDerWaalsContact CA-CE2 3.47Å; R835-Y844 HydrophobicContact CB-CD1 3.92Å; R835-Y844 HydrophobicContact CB-CD2 3.66Å; R835-Y844 HydrophobicContact CB-CE1 4.01Å; R835-Y844 HydrophobicContact CB-CE2 3.77Å; R835-Y844 HydrophobicContact CB-CG 3.73Å; R835-Y844 HydrophobicContact CG-CD1 4.13Å; R835-Y844 HydrophobicContact CG-CD2 3.85Å; R835-Y844 HydrophobicContact CG-CE2 4.47Å; R835-Y844 HydrophobicContact CG-CG 3.65Å |
| 836 | P | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 147.5 | 175.2 | -26.5 | 35.2 | 0 | 0 | 0 | 111.9 | W797 L800 M801 S834 A838 C839 M847 | W797-P836 HydrophobicContact CG-CG 4.15Å; L800-P836 HydrophobicContact CB-CB 3.84Å; L800-P836 HydrophobicContact CB-CG 3.94Å; M801-P836 HydrophobicContact CG-CB 4Å; M801-P836 HydrophobicContact CG-CG 3.95Å; M801-P836 HydrophobicContact SD-CB 3.68Å; M801-P836 HydrophobicContact SD-CG 4.1Å; S834-P836 WeakPolarHBondContact O-CD 3.32Å; P836-A838 PolarHBondContact O-N 2.97Å; P836-C839 HydrophobicContact CB-CB 3.88Å; P836-C839 HydrophobicContact CG-CB 4.08Å; P836-C839 WeakPolarHBondContact O-CB 3.5Å; P836-C839 PolarHBondContact O-N 2.85Å; P836-M847 HydrophobicContact CG-CE 4.49Å |
| 837 | P | 89.7 | Confident | 93.7 | Very high | 118 Ų | 118 | 55.2 Ų | 55.2 | 77% | 0.766 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -39.9 | -180 | -27 | 35.2 | 0 | 0 | 0 | 113.2 | C839 | P837-C839 VanDerWaalsContact C-N 3.31Å; P837-C839 PolarHBondContact O-N 3.03Å |
| 838 | A | 82.9 | Confident | 94.1 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 20% | 0.198 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L681 Y703 P836 P840 | L681-A838 HydrophobicContact CD2-CB 3.87Å; Y703-A838 WeakPolarHBondContact CD2-O 3.45Å; Y703-A838 WeakPolarHBondContact CE2-O 3.4Å; P836-A838 PolarHBondContact O-N 2.97Å; A838-P840 WeakPolarHBondContact O-CD 3.41Å |
| 839 | C | 92.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | trans | -96.2 | 117 | -172.2 | -174.6 | 0 | 0 | 0 | 0 | 112 | L800 R835 P836 P837 | L800-C839 HydrophobicContact CD1-CB 3.65Å; L800-C839 VanDerWaalsContact CD1-SG 3.59Å; R835-C839 WeakPolarHBondContact CD-O 3.37Å; R835-C839 HydrophobicContact CG-CB 4.04Å; R835-C839 PolarHBondContact NH1-O 3.12Å; P836-C839 HydrophobicContact CB-CB 3.88Å; P836-C839 HydrophobicContact CG-CB 4.08Å; P836-C839 WeakPolarHBondContact O-CB 3.5Å; P836-C839 PolarHBondContact O-N 2.85Å; P837-C839 VanDerWaalsContact C-N 3.31Å; P837-C839 PolarHBondContact O-N 3.03Å | ||
| 840 | P | 91.7 | Very high | 94.7 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | trans | -63.9 | 154.4 | 172 | -21.5 | 34.4 | 0 | 0 | 0 | 112.5 | Y703 A838 G842 L843 Y844 | Y703-P840 HydrophobicContact CE1-CG 4.45Å; Y703-P840 WeakPolarHBondContact OH-CD 3.48Å; Y703-P840 WeakPolarHBondContact OH-CG 3.48Å; A838-P840 WeakPolarHBondContact O-CD 3.41Å; P840-G842 PolarHBondContact O-N 3.12Å; P840-L843 PolarHBondContact O-N 3.49Å; P840-L843 VanDerWaalsContact O-N 3.08Å; P840-Y844 PolarHBondContact O-N 2.64Å | ||
| 841 | Q | 91.5 | Very high | 94.9 | Very high | 100 Ų | 100 | 46.4 Ų | 46.4 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.7 | -45.1 | -174.4 | -179.9 | 58.4 | 24.8 | 0 | 0 | 113.5 | L843 Y844 E845 | Q841-L843 VanDerWaalsContact C-N 3.29Å; Q841-L843 PolarHBondContact O-N 3.41Å; Q841-Y844 WeakPolarHBondContact O-CB 3.3Å; Q841-Y844 PolarHBondContact O-N 3.25Å; Q841-Y844 VanDerWaalsContact O-N 3.15Å; Q841-E845 WeakPolarHBondContact CG-OE1 3.29Å; Q841-E845 PolarHBondContact NE2-OE1 2.89Å; Q841-E845 WeakPolarHBondContact O-CG 3.48Å; Q841-E845 PolarHBondContact O-N 3.38Å |
| 842 | G | 91.3 | Very high | 95 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 36% | 0.361 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.9 | -27.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P840 L846 | P840-G842 PolarHBondContact O-N 3.12Å; G842-L846 PolarHBondContact O-N 3.02Å |
| 843 | L | 93.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.3 | -33.1 | 173.9 | -175.6 | 60.1 | 0 | 0 | 0 | 111.5 | Y703 L707 L796 L800 P840 Q841 L846 M847 F867 L868 | Y703-L843 VanDerWaalsContact OH-CD2 3.26Å; Y703-L843 WeakPolarHBondContact OH-CD2 3.23Å; L707-L843 HydrophobicContact CD2-CD2 3.8Å; L796-L843 HydrophobicContact CD2-CD1 4.05Å; L800-L843 HydrophobicContact CD1-CD2 3.63Å; L800-L843 HydrophobicContact CD1-CG 4.34Å; P840-L843 PolarHBondContact O-N 3.49Å; P840-L843 VanDerWaalsContact O-N 3.08Å; Q841-L843 VanDerWaalsContact C-N 3.29Å; Q841-L843 PolarHBondContact O-N 3.41Å; L843-L846 HydrophobicContact CD1-CD2 4.18Å; L843-L846 WeakPolarHBondContact O-CB 3.31Å; L843-L846 PolarHBondContact O-N 2.92Å; L843-M847 PolarHBondContact O-N 2.73Å; L843-M847 VanDerWaalsContact O-N 3.17Å; L843-F867 HydrophobicContact CB-CE1 4.37Å; L843-F867 HydrophobicContact CD1-CD1 4.1Å; L843-F867 HydrophobicContact CD1-CE1 3.84Å; L843-L868 HydrophobicContact CD1-CD2 3.74Å |
| 844 | Y | 96.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 171.5 | -176.4 | -117.8 | 0 | 0 | 0 | 112.3 | L833 R835 P840 Q841 L846 M847 L848 | L833-Y844 WeakPolarHBondContact O-CE2 3.27Å; L833-Y844 PolarHBondContact O-OH 2.81Å; L833-Y844 VanDerWaalsContact O-OH 3.14Å; R835-Y844 VanDerWaalsContact CA-CE2 3.47Å; R835-Y844 HydrophobicContact CB-CD1 3.92Å; R835-Y844 HydrophobicContact CB-CD2 3.66Å; R835-Y844 HydrophobicContact CB-CE1 4.01Å; R835-Y844 HydrophobicContact CB-CE2 3.77Å; R835-Y844 HydrophobicContact CB-CG 3.73Å; R835-Y844 HydrophobicContact CG-CD1 4.13Å; R835-Y844 HydrophobicContact CG-CD2 3.85Å; R835-Y844 HydrophobicContact CG-CE2 4.47Å; R835-Y844 HydrophobicContact CG-CG 3.65Å; P840-Y844 PolarHBondContact O-N 2.64Å; Q841-Y844 WeakPolarHBondContact O-CB 3.3Å; Q841-Y844 PolarHBondContact O-N 3.25Å; Q841-Y844 VanDerWaalsContact O-N 3.15Å; Y844-L846 VanDerWaalsContact C-N 3.25Å; Y844-L846 PolarHBondContact O-N 2.78Å; Y844-M847 HydrophobicContact CD2-SD 3.88Å; Y844-M847 WeakPolarHBondContact O-CA 3.42Å; Y844-M847 WeakPolarHBondContact O-CB 3.47Å; Y844-M847 PolarHBondContact O-N 3.21Å; Y844-M847 VanDerWaalsContact O-N 3.07Å; Y844-L848 HydrophobicContact CD1-CD1 4.08Å; Y844-L848 HydrophobicContact CD1-CG 4.45Å; Y844-L848 HydrophobicContact CE1-CD1 3.79Å; Y844-L848 HydrophobicContact CE1-CD2 4.35Å; Y844-L848 HydrophobicContact CE1-CG 4.15Å; Y844-L848 WeakPolarHBondContact O-CG 3.43Å; Y844-L848 PolarHBondContact O-N 3.25Å |
| 845 | E | 96.4 | Very high | 94.6 | Very high | 97 Ų | 97 | 43.5 Ų | 43.5 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -31.6 | 172.1 | -74 | 166.4 | -166.2 | 0 | 0 | 112.3 | Q841 L848 R849 | Q841-E845 WeakPolarHBondContact CG-OE1 3.29Å; Q841-E845 PolarHBondContact NE2-OE1 2.89Å; Q841-E845 WeakPolarHBondContact O-CG 3.48Å; Q841-E845 PolarHBondContact O-N 3.38Å; E845-L848 PolarHBondContact O-N 3.25Å; E845-R849 WeakPolarHBondContact O-CG 3.2Å; E845-R849 PolarHBondContact O-N 2.74Å |
| 846 | L | 95.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -40.5 | 169.9 | -168 | 69.8 | 0 | 0 | 0 | 112 | G842 L843 Y844 R849 C850 P859 L864 F867 | G842-L846 PolarHBondContact O-N 3.02Å; L843-L846 HydrophobicContact CD1-CD2 4.18Å; L843-L846 WeakPolarHBondContact O-CB 3.31Å; L843-L846 PolarHBondContact O-N 2.92Å; Y844-L846 VanDerWaalsContact C-N 3.25Å; Y844-L846 PolarHBondContact O-N 2.78Å; L846-R849 PolarHBondContact O-N 3.02Å; L846-C850 PolarHBondContact O-N 3.26Å; L846-C850 VanDerWaalsContact O-N 3.09Å; L846-C850 PolarHBondContact O-SG 3.25Å; L846-C850 VanDerWaalsContact O-SG 3.36Å; L846-P859 HydrophobicContact CD1-CG 4.37Å; L846-L864 HydrophobicContact CD1-CD2 3.98Å; L846-L864 HydrophobicContact CD2-CD2 3.79Å; L846-L864 HydrophobicContact CG-CD2 3.77Å; L846-F867 HydrophobicContact CD2-CB 4.01Å; L846-F867 HydrophobicContact CD2-CD1 3.55Å; L846-F867 HydrophobicContact CD2-CE1 4.16Å; L846-F867 HydrophobicContact CD2-CG 3.82Å |
| 847 | M | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -47 | 172.6 | -63.5 | 172.3 | 166 | 0 | 0 | 111.7 | L796 W797 L800 P836 L843 Y844 R849 C850 W851 | L796-M847 HydrophobicContact CB-CE 4.11Å; L796-M847 HydrophobicContact CD2-CE 3.86Å; L796-M847 HydrophobicContact CD2-CG 3.92Å; L796-M847 HydrophobicContact CG-CE 3.59Å; W797-M847 HydrophobicContact CB-CE 4.1Å; W797-M847 HydrophobicContact CB-SD 4.44Å; L800-M847 HydrophobicContact CD1-CE 3.7Å; P836-M847 HydrophobicContact CG-CE 4.49Å; L843-M847 PolarHBondContact O-N 2.73Å; L843-M847 VanDerWaalsContact O-N 3.17Å; Y844-M847 HydrophobicContact CD2-SD 3.88Å; Y844-M847 WeakPolarHBondContact O-CA 3.42Å; Y844-M847 WeakPolarHBondContact O-CB 3.47Å; Y844-M847 PolarHBondContact O-N 3.21Å; Y844-M847 VanDerWaalsContact O-N 3.07Å; M847-R849 PolarHBondContact O-N 2.75Å; M847-C850 WeakPolarHBondContact O-CA 3.46Å; M847-C850 VanDerWaalsContact O-CB 3.27Å; M847-C850 WeakPolarHBondContact O-CB 3.18Å; M847-C850 PolarHBondContact O-N 2.85Å; M847-W851 HydrophobicContact CB-CE3 4.29Å; M847-W851 HydrophobicContact CB-CH2 3.76Å; M847-W851 HydrophobicContact CB-CZ2 4.28Å; M847-W851 HydrophobicContact CB-CZ3 3.78Å; M847-W851 HydrophobicContact CG-CH2 4.39Å; M847-W851 PolarHBondContact O-N 2.85Å; M847-W851 HydrophobicContact SD-CH2 4.29Å |
| 848 | L | 97.9 | Very high | 94.9 | Very high | 54 Ų | 54 | 45.7 Ų | 45.7 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.1 | -36.8 | 177.8 | -67.4 | 175.4 | 0 | 0 | 0 | 111.7 | Y832 Y844 E845 W851 S852 | Y832-L848 HydrophobicContact CD1-CD2 3.75Å; Y832-L848 HydrophobicContact CE1-CD2 4.32Å; Y832-L848 HydrophobicContact CG-CD2 3.92Å; Y844-L848 HydrophobicContact CD1-CD1 4.08Å; Y844-L848 HydrophobicContact CD1-CG 4.45Å; Y844-L848 HydrophobicContact CE1-CD1 3.79Å; Y844-L848 HydrophobicContact CE1-CD2 4.35Å; Y844-L848 HydrophobicContact CE1-CG 4.15Å; Y844-L848 WeakPolarHBondContact O-CG 3.43Å; Y844-L848 PolarHBondContact O-N 3.25Å; E845-L848 PolarHBondContact O-N 3.25Å; L848-W851 HydrophobicContact CD2-CE3 4.17Å; L848-W851 HydrophobicContact CD2-CZ3 4.41Å; L848-W851 CarbonylContact O-C 3.59Å; L848-W851 WeakPolarHBondContact O-CA 3.43Å; L848-W851 PolarHBondContact O-N 3.46Å; L848-W851 VanDerWaalsContact O-N 3.1Å; L848-S852 PolarHBondContact O-N 2.86Å |
| 849 | R | 97.9 | Very high | 95.6 | Very high | 91 Ų | 91 | 44.6 Ų | 44.6 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.9 | -28.4 | 171.8 | -74.5 | -176 | 60.7 | -138.5 | -9.7 | 114 | E845 L846 M847 W851 S852 R858 P859 | E845-R849 WeakPolarHBondContact O-CG 3.2Å; E845-R849 PolarHBondContact O-N 2.74Å; L846-R849 PolarHBondContact O-N 3.02Å; M847-R849 PolarHBondContact O-N 2.75Å; R849-W851 PolarHBondContact O-N 3.29Å; R849-S852 PolarHBondContact O-N 3.43Å; R849-S852 PolarHBondContact O-OG 2.87Å; R849-R858 WeakPolarHBondContact O-CA 3.42Å; R849-P859 HydrophobicContact CB-CG 4.44Å; R849-P859 VanDerWaalsContact O-CD 3.27Å; R849-P859 WeakPolarHBondContact O-CD 3.47Å |
| 850 | C | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -26.3 | 168.6 | -63.6 | 0 | 0 | 0 | 0 | 112 | V789 W790 L846 M847 R858 | V789-C850 HydrophobicContact CG1-CB 4.09Å; V789-C850 WeakPolarHBondContact O-CB 3.28Å; W790-C850 WeakPolarHBondContact CA-O 3.35Å; L846-C850 PolarHBondContact O-N 3.26Å; L846-C850 VanDerWaalsContact O-N 3.09Å; L846-C850 PolarHBondContact O-SG 3.25Å; L846-C850 VanDerWaalsContact O-SG 3.36Å; M847-C850 WeakPolarHBondContact O-CA 3.46Å; M847-C850 VanDerWaalsContact O-CB 3.27Å; M847-C850 WeakPolarHBondContact O-CB 3.18Å; M847-C850 PolarHBondContact O-N 2.85Å; C850-R858 WeakPolarHBondContact O-CD 3.27Å |
| 851 | W | 98.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 21.2 | 179.3 | -51 | -40.4 | 0 | 0 | 0 | 113.9 | W790 G793 V794 W797 Y832 L833 M847 L848 R849 | W790-W851 AromaticContact CD1-CD1 3.9Å; W790-W851 HydrophobicContact CD2-CB 4.45Å; W790-W851 AromaticContact CD2-CD1 3.61Å; W790-W851 HydrophobicContact CD2-CG 4.39Å; W790-W851 AromaticContact CE2-CD1 3.71Å; W790-W851 HydrophobicContact CE3-CB 4.21Å; W790-W851 AromaticContact CG-CD1 3.73Å; W790-W851 HydrophobicContact CH2-CB 4.2Å; W790-W851 HydrophobicContact CZ2-CB 4.44Å; W790-W851 HydrophobicContact CZ3-CB 4.08Å; W790-W851 WeakPolarHBondContact CZ3-O 3.32Å; W790-W851 AromaticContact NE1-CD1 3.87Å; W790-W851 PolarHBondContact O-NE1 3.33Å; G793-W851 VanDerWaalsContact C-CZ2 3.44Å; G793-W851 WeakPolarHBondContact O-CZ2 3.29Å; V794-W851 HydrophobicContact CG2-CZ2 4.19Å; W797-W851 HydrophobicContact CB-CH2 4.47Å; Y832-W851 HydrophobicContact CD1-CB 4.13Å; Y832-W851 HydrophobicContact CD1-CE3 4.02Å; Y832-W851 HydrophobicContact CE1-CB 4.07Å; L833-W851 HydrophobicContact CB-CH2 3.76Å; L833-W851 HydrophobicContact CB-CZ2 4.44Å; L833-W851 HydrophobicContact CB-CZ3 4.16Å; L833-W851 HydrophobicContact CD1-CH2 3.93Å; L833-W851 HydrophobicContact CD1-CZ2 3.79Å; L833-W851 HydrophobicContact CG-CH2 4.24Å; L833-W851 HydrophobicContact CG-CZ2 4.45Å; M847-W851 HydrophobicContact CB-CE3 4.29Å; M847-W851 HydrophobicContact CB-CH2 3.76Å; M847-W851 HydrophobicContact CB-CZ2 4.28Å; M847-W851 HydrophobicContact CB-CZ3 3.78Å; M847-W851 HydrophobicContact CG-CH2 4.39Å; M847-W851 PolarHBondContact O-N 2.85Å; M847-W851 HydrophobicContact SD-CH2 4.29Å; L848-W851 HydrophobicContact CD2-CE3 4.17Å; L848-W851 HydrophobicContact CD2-CZ3 4.41Å; L848-W851 CarbonylContact O-C 3.59Å; L848-W851 WeakPolarHBondContact O-CA 3.43Å; L848-W851 PolarHBondContact O-N 3.46Å; L848-W851 VanDerWaalsContact O-N 3.1Å; R849-W851 PolarHBondContact O-N 3.29Å |
| 852 | S | 97.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | trans | -58.4 | 138.6 | 168.4 | -73 | 0 | 0 | 0 | 0 | 111 | L848 R849 R858 | L848-S852 PolarHBondContact O-N 2.86Å; R849-S852 PolarHBondContact O-N 3.43Å; R849-S852 PolarHBondContact O-OG 2.87Å; S852-R858 PolarHBondContact O-NE 2.74Å; S852-R858 PolarHBondContact O-NH2 2.7Å | ||
| 853 | R | 94.7 | Very high | 96.6 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -55 | -59.5 | 177.3 | -176.2 | -177.1 | -175.6 | -85.9 | 5 | 110.8 | W775 F823 F824 R858 | W775-R853 HydrophobicContact CZ2-CG 4.35Å; W775-R853 PolarHBondContact NE1-O 3.34Å; F823-R853 WeakPolarHBondContact O-CD 3.25Å; F823-R853 WeakPolarHBondContact O-CG 3.37Å; F823-R853 PolarHBondContact O-NE 2.89Å; F823-R853 VanDerWaalsContact O-NE 3.15Å; F824-R853 PolarHBondContact O-NE 3.32Å; F824-R853 PolarHBondContact O-NH2 2.79Å; R853-R858 PolarHBondContact O-NH2 2.84Å |
| 854 | E | 94.2 | Very high | 96.8 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -69.9 | 135.8 | 178 | -48.5 | -37.8 | 125.4 | 0 | 0 | 111.3 | E856 Q857 | E854-E856 VanDerWaalsContact C-N 3.33Å; E854-E856 PolarHBondContact O-N 3.28Å; E854-Q857 HydrophobicContact CB-CG 4.05Å; E854-Q857 PolarHBondContact O-N 3.41Å |
| 855 | S | 94.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -67.3 | -34.2 | -173.7 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | R858 | S855-R858 WeakPolarHBondContact O-CB 3.36Å; S855-R858 PolarHBondContact O-N 2.83Å |
| 856 | E | 93.2 | Very high | 96.7 | Very high | 154 Ų | 154 | 45.7 Ų | 45.7 | 72% | 0.72 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -77.5 | -14.5 | -176.8 | 64 | -87.9 | -156.4 | 0 | 0 | 114.4 | E854 | E854-E856 VanDerWaalsContact C-N 3.33Å; E854-E856 PolarHBondContact O-N 3.28Å |
| 857 | Q | 96.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 47.6 Ų | 47.6 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -82.5 | -18.6 | 174.6 | -65.2 | 179.1 | 18.1 | 0 | 0 | 112.4 | E854 | E854-Q857 HydrophobicContact CB-CG 4.05Å; E854-Q857 PolarHBondContact O-N 3.41Å |
| 858 | R | 98.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -70.7 | 137.5 | -176.7 | -57.1 | 178.1 | -166.5 | 162.7 | 7.6 | 110.5 | E776 A786 V789 R849 C850 S852 R853 S855 | E776-R858 IonicContact OE1-CZ 3.14Å; E776-R858 IonicContact OE1-NH1 3.29Å; E776-R858 PolarHBondContact OE1-NH1 3.04Å; E776-R858 IonicContact OE1-NH2 2.65Å; E776-R858 PolarHBondContact OE1-NH2 2.9Å; E776-R858 IonicContact OE2-CZ 2.7Å; E776-R858 IonicContact OE2-NH1 2.7Å; E776-R858 IonicContact OE2-NH2 3.87Å; E776-R858 PolarHBondContact OE2-NH2 2.73Å; A786-R858 VanDerWaalsContact O-CD 3.26Å; A786-R858 WeakPolarHBondContact O-CD 3.49Å; A786-R858 PolarHBondContact O-NH1 2.72Å; V789-R858 HydrophobicContact CG1-CB 3.86Å; R849-R858 WeakPolarHBondContact O-CA 3.42Å; C850-R858 WeakPolarHBondContact O-CD 3.27Å; S852-R858 PolarHBondContact O-NE 2.74Å; S852-R858 PolarHBondContact O-NH2 2.7Å; R853-R858 PolarHBondContact O-NH2 2.84Å; S855-R858 WeakPolarHBondContact O-CB 3.36Å; S855-R858 PolarHBondContact O-N 2.83Å |
| 859 | P | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 134.8 | -175.1 | 27.7 | -34.9 | 0 | 0 | 0 | 111.5 | V789 L846 R849 Q863 L864 | V789-P859 HydrophobicContact CG1-CG 4.31Å; V789-P859 WeakPolarHBondContact CG1-O 3.36Å; V789-P859 WeakPolarHBondContact CG2-O 3.27Å; L846-P859 HydrophobicContact CD1-CG 4.37Å; R849-P859 HydrophobicContact CB-CG 4.44Å; R849-P859 VanDerWaalsContact O-CD 3.27Å; R849-P859 WeakPolarHBondContact O-CD 3.47Å; P859-Q863 HydrophobicContact CB-CB 4.4Å; P859-Q863 HydrophobicContact CB-CG 4.48Å; P859-L864 HydrophobicContact CB-CD2 4.17Å; P859-L864 HydrophobicContact CB-CG 4.19Å; P859-L864 HydrophobicContact CG-CD1 4.39Å; P859-L864 HydrophobicContact CG-CD2 3.66Å; P859-L864 HydrophobicContact CG-CG 4.03Å |
| 860 | P | 97.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 47 Ų | 47 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -67.2 | 153.2 | 174.2 | 29.1 | -35 | 0 | 0 | 0 | 110.9 | S862 Q863 L864 | P860-S862 PolarHBondContact O-N 3.45Å; P860-Q863 HydrophobicContact CG-CB 4.07Å; P860-Q863 WeakPolarHBondContact O-CA 3.36Å; P860-Q863 WeakPolarHBondContact O-CB 3.46Å; P860-Q863 PolarHBondContact O-N 2.68Å; P860-L864 PolarHBondContact O-N 2.85Å; P860-L864 VanDerWaalsContact O-N 3.1Å |
| 861 | F | 98.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56 | -25.2 | 179.3 | -75.1 | -67.6 | 0 | 0 | 0 | 114.6 | M717 R718 A721 T785 D788 V789 F792 L864 H865 | M717-F861 HydrophobicContact CB-CD1 3.51Å; M717-F861 HydrophobicContact CB-CD2 3.99Å; M717-F861 HydrophobicContact CB-CE1 3.37Å; M717-F861 HydrophobicContact CB-CE2 3.87Å; M717-F861 HydrophobicContact CB-CG 3.82Å; M717-F861 HydrophobicContact CB-CZ 3.57Å; M717-F861 HydrophobicContact CE-CE2 4.06Å; M717-F861 HydrophobicContact CE-CZ 3.87Å; M717-F861 HydrophobicContact CG-CD1 4.49Å; M717-F861 HydrophobicContact CG-CE1 3.94Å; M717-F861 HydrophobicContact CG-CZ 4.04Å; R718-F861 HydrophobicContact CB-CB 3.8Å; A721-F861 HydrophobicContact CB-CD2 4.19Å; T785-F861 HydrophobicContact CG2-CD2 4.12Å; T785-F861 HydrophobicContact CG2-CE2 4.05Å; D788-F861 HydrophobicContact CB-CE2 4.09Å; D788-F861 HydrophobicContact CB-CZ 4.07Å; V789-F861 HydrophobicContact CB-CZ 4.4Å; V789-F861 HydrophobicContact CG2-CD1 4.48Å; V789-F861 HydrophobicContact CG2-CD2 3.93Å; V789-F861 HydrophobicContact CG2-CE1 4.18Å; V789-F861 HydrophobicContact CG2-CE2 3.58Å; V789-F861 HydrophobicContact CG2-CG 4.36Å; V789-F861 HydrophobicContact CG2-CZ 3.72Å; F792-F861 HydrophobicContact CB-CE1 3.64Å; F792-F861 HydrophobicContact CB-CZ 4.13Å; F792-F861 HydrophobicContact CD1-CE1 4.46Å; F792-F861 HydrophobicContact CD2-CE1 4.01Å; F792-F861 AromaticContact CG-CE1 3.77Å; F792-F861 HydrophobicContact CG-CE1 3.77Å; F861-L864 HydrophobicContact CD1-CD1 3.75Å; F861-L864 HydrophobicContact CE1-CD1 4.06Å; F861-L864 HydrophobicContact CG-CD1 4.47Å; F861-H865 VanDerWaalsContact O-CB 3.29Å; F861-H865 WeakPolarHBondContact O-CB 3.34Å; F861-H865 PolarHBondContact O-N 3.13Å |
| 862 | S | 96 | Very high | 93 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 169.9 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | P860 R866 | P860-S862 PolarHBondContact O-N 3.45Å; S862-R866 WeakPolarHBondContact O-CB 3.3Å; S862-R866 PolarHBondContact O-N 3.33Å |
| 863 | Q | 96.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 174 | -175.2 | 175 | 29.2 | 0 | 0 | 110.9 | P859 P860 R866 F867 | P859-Q863 HydrophobicContact CB-CB 4.4Å; P859-Q863 HydrophobicContact CB-CG 4.48Å; P860-Q863 HydrophobicContact CG-CB 4.07Å; P860-Q863 WeakPolarHBondContact O-CA 3.36Å; P860-Q863 WeakPolarHBondContact O-CB 3.46Å; P860-Q863 PolarHBondContact O-N 2.68Å; Q863-R866 PolarHBondContact O-N 3.3Å; Q863-F867 PolarHBondContact O-N 2.84Å |
| 864 | L | 97.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 178.6 | -68.6 | 170.4 | 0 | 0 | 0 | 112 | A714 V789 F792 L846 P859 P860 F861 R866 F867 L868 | A714-L864 HydrophobicContact CB-CB 4.41Å; V789-L864 HydrophobicContact CG1-CD1 4.19Å; V789-L864 HydrophobicContact CG2-CD1 4.28Å; F792-L864 HydrophobicContact CD1-CD1 3.69Å; F792-L864 HydrophobicContact CD1-CD2 4.36Å; F792-L864 HydrophobicContact CD1-CG 4.48Å; F792-L864 HydrophobicContact CE1-CB 4.25Å; F792-L864 HydrophobicContact CE1-CD1 4.04Å; F792-L864 HydrophobicContact CE1-CD2 4.16Å; F792-L864 HydrophobicContact CE1-CG 4.39Å; F792-L864 HydrophobicContact CG-CD1 4.4Å; L846-L864 HydrophobicContact CD1-CD2 3.98Å; L846-L864 HydrophobicContact CD2-CD2 3.79Å; L846-L864 HydrophobicContact CG-CD2 3.77Å; P859-L864 HydrophobicContact CB-CD2 4.17Å; P859-L864 HydrophobicContact CB-CG 4.19Å; P859-L864 HydrophobicContact CG-CD1 4.39Å; P859-L864 HydrophobicContact CG-CD2 3.66Å; P859-L864 HydrophobicContact CG-CG 4.03Å; P860-L864 PolarHBondContact O-N 2.85Å; P860-L864 VanDerWaalsContact O-N 3.1Å; F861-L864 HydrophobicContact CD1-CD1 3.75Å; F861-L864 HydrophobicContact CE1-CD1 4.06Å; F861-L864 HydrophobicContact CG-CD1 4.47Å; L864-R866 VanDerWaalsContact C-N 3.34Å; L864-R866 PolarHBondContact O-N 3.48Å; L864-F867 PolarHBondContact O-N 2.79Å; L864-L868 WeakPolarHBondContact O-CD1 3.45Å; L864-L868 WeakPolarHBondContact O-CG 3.43Å; L864-L868 PolarHBondContact O-N 2.94Å; L864-L868 VanDerWaalsContact O-N 3.07Å |
| 865 | H | 97.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 58 Ų | 58 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 175.5 | 173.8 | -69.8 | 0 | 0 | 0 | 111.6 | A714 R718 F861 F867 L868 A869 | A714-H865 HydrophobicContact CB-CB 3.93Å; R718-H865 PolarHBondContact NH1-CD2 2.86Å; R718-H865 VanDerWaalsContact NH1-CD2 3.27Å; R718-H865 PolarHBondContact NH1-CE1 3.46Å; R718-H865 VanDerWaalsContact NH1-CG 3.28Å; R718-H865 PolarHBondContact NH1-ND1 3.02Å; R718-H865 PolarHBondContact NH1-NE2 2.98Å; R718-H865 PolarHBondContact NH2-CD2 2.65Å; R718-H865 PolarHBondContact NH2-NE2 2.58Å; F861-H865 VanDerWaalsContact O-CB 3.29Å; F861-H865 WeakPolarHBondContact O-CB 3.34Å; F861-H865 PolarHBondContact O-N 3.13Å; H865-F867 PolarHBondContact O-N 3.15Å; H865-L868 PolarHBondContact O-N 2.83Å; H865-A869 VanDerWaalsContact O-CB 3.29Å; H865-A869 WeakPolarHBondContact O-CB 3.39Å; H865-A869 PolarHBondContact O-N 2.93Å |
| 866 | R | 94.1 | Very high | 87.5 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | -177.3 | -160 | -167.7 | 63 | 63.8 | 11.6 | 111.3 | S862 Q863 L864 L868 A869 E870 D871 | S862-R866 WeakPolarHBondContact O-CB 3.3Å; S862-R866 PolarHBondContact O-N 3.33Å; Q863-R866 PolarHBondContact O-N 3.3Å; L864-R866 VanDerWaalsContact C-N 3.34Å; L864-R866 PolarHBondContact O-N 3.48Å; R866-L868 PolarHBondContact O-N 3.18Å; R866-A869 PolarHBondContact O-N 2.92Å; R866-E870 WeakPolarHBondContact CD-OE2 3.33Å; R866-E870 HydrophobicContact CG-CG 4.36Å; R866-E870 VanDerWaalsContact CG-OE1 3.32Å; R866-E870 WeakPolarHBondContact CG-OE1 3.25Å; R866-E870 WeakPolarHBondContact CG-OE2 3.44Å; R866-E870 IonicContact CZ-OE2 3.03Å; R866-E870 IonicContact NH1-OE2 3.05Å; R866-E870 PolarHBondContact NH1-OE2 3.04Å; R866-E870 WeakPolarHBondContact O-CB 3.42Å; R866-E870 PolarHBondContact O-N 3.33Å; R866-D871 IonicContact CZ-OD1 3.63Å; R866-D871 IonicContact CZ-OD2 3.09Å; R866-D871 VanDerWaalsContact NH1-CG 3.34Å; R866-D871 IonicContact NH1-OD1 3.51Å; R866-D871 PolarHBondContact NH1-OD1 3.16Å; R866-D871 IonicContact NH1-OD2 2.8Å; R866-D871 PolarHBondContact NH1-OD2 3.23Å; R866-D871 IonicContact NH2-OD1 3.37Å; R866-D871 IonicContact NH2-OD2 2.81Å; R866-D871 PolarHBondContact NH2-OD2 2.93Å |
| 867 | F | 93.8 | Very high | 87.2 | Confident | 47 Ų | 47 | 57 Ų | 57 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -61.7 | -42.5 | 177.1 | -170.2 | -83.9 | 0 | 0 | 0 | 112.2 | L843 L846 Q863 L864 H865 D871 A872 | L843-F867 HydrophobicContact CB-CE1 4.37Å; L843-F867 HydrophobicContact CD1-CD1 4.1Å; L843-F867 HydrophobicContact CD1-CE1 3.84Å; L846-F867 HydrophobicContact CD2-CB 4.01Å; L846-F867 HydrophobicContact CD2-CD1 3.55Å; L846-F867 HydrophobicContact CD2-CE1 4.16Å; L846-F867 HydrophobicContact CD2-CG 3.82Å; Q863-F867 PolarHBondContact O-N 2.84Å; L864-F867 PolarHBondContact O-N 2.79Å; H865-F867 PolarHBondContact O-N 3.15Å; F867-D871 HydrophobicContact CD2-CB 3.64Å; F867-D871 WeakPolarHBondContact CD2-OD2 3.45Å; F867-D871 HydrophobicContact CE2-CB 3.95Å; F867-D871 HydrophobicContact CG-CB 4.03Å; F867-D871 PolarHBondContact O-N 3.15Å; F867-A872 HydrophobicContact CD1-CB 4.08Å; F867-A872 HydrophobicContact CE1-CB 3.97Å; F867-A872 VanDerWaalsContact O-CB 3.3Å; F867-A872 WeakPolarHBondContact O-CB 3.49Å; F867-A872 PolarHBondContact O-N 2.84Å |
| 868 | L | 93.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -72.5 | -33.4 | -178.6 | -69.3 | 164.2 | 0 | 0 | 0 | 113.4 | L707 A710 A711 A714 F792 L796 L843 L864 H865 R866 | L707-L868 HydrophobicContact CD2-CD2 3.84Å; A710-L868 HydrophobicContact CB-CD1 4.02Å; A710-L868 HydrophobicContact CB-CD2 4.16Å; A711-L868 HydrophobicContact CB-CB 3.92Å; A714-L868 HydrophobicContact CB-CD1 4.24Å; F792-L868 HydrophobicContact CE1-CD1 4.11Å; F792-L868 HydrophobicContact CZ-CD1 3.63Å; L796-L868 HydrophobicContact CD1-CD2 4.01Å; L843-L868 HydrophobicContact CD1-CD2 3.74Å; L864-L868 WeakPolarHBondContact O-CD1 3.45Å; L864-L868 WeakPolarHBondContact O-CG 3.43Å; L864-L868 PolarHBondContact O-N 2.94Å; L864-L868 VanDerWaalsContact O-N 3.07Å; H865-L868 PolarHBondContact O-N 2.83Å; R866-L868 PolarHBondContact O-N 3.18Å |
| 869 | A | 89.9 | Confident | 86.1 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -86.7 | -28.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | A711 H865 R866 | A711-A869 HydrophobicContact CB-CB 4.44Å; H865-A869 VanDerWaalsContact O-CB 3.29Å; H865-A869 WeakPolarHBondContact O-CB 3.39Å; H865-A869 PolarHBondContact O-N 2.93Å; R866-A869 PolarHBondContact O-N 2.92Å |
| 870 | E | 84.4 | Confident | 85.4 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 43% | 0.425 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -116.8 | -73.5 | -176.4 | -60.3 | 163.6 | -161.3 | 0 | 0 | 111 | R866 A872 L873 N874 | R866-E870 WeakPolarHBondContact CD-OE2 3.33Å; R866-E870 HydrophobicContact CG-CG 4.36Å; R866-E870 VanDerWaalsContact CG-OE1 3.32Å; R866-E870 WeakPolarHBondContact CG-OE1 3.25Å; R866-E870 WeakPolarHBondContact CG-OE2 3.44Å; R866-E870 IonicContact CZ-OE2 3.03Å; R866-E870 IonicContact NH1-OE2 3.05Å; R866-E870 PolarHBondContact NH1-OE2 3.04Å; R866-E870 WeakPolarHBondContact O-CB 3.42Å; R866-E870 PolarHBondContact O-N 3.33Å; E870-A872 PolarHBondContact O-N 3.39Å; E870-L873 PolarHBondContact O-N 3.27Å; E870-N874 PolarHBondContact O-N 2.98Å; E870-N874 VanDerWaalsContact O-N 3.08Å; E870-N874 PolarHBondContact O-ND2 2.73Å |
| 871 | D | 74.4 | Confident | 84.7 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -60 | -44.7 | -165.2 | -57.4 | -23.7 | 0 | 0 | 0 | 112.5 | R866 F867 T875 | R866-D871 IonicContact CZ-OD1 3.63Å; R866-D871 IonicContact CZ-OD2 3.09Å; R866-D871 VanDerWaalsContact NH1-CG 3.34Å; R866-D871 IonicContact NH1-OD1 3.51Å; R866-D871 PolarHBondContact NH1-OD1 3.16Å; R866-D871 IonicContact NH1-OD2 2.8Å; R866-D871 PolarHBondContact NH1-OD2 3.23Å; R866-D871 IonicContact NH2-OD1 3.37Å; R866-D871 IonicContact NH2-OD2 2.81Å; R866-D871 PolarHBondContact NH2-OD2 2.93Å; F867-D871 HydrophobicContact CD2-CB 3.64Å; F867-D871 WeakPolarHBondContact CD2-OD2 3.45Å; F867-D871 HydrophobicContact CE2-CB 3.95Å; F867-D871 HydrophobicContact CG-CB 4.03Å; F867-D871 PolarHBondContact O-N 3.15Å; D871-T875 WeakPolarHBondContact O-CG2 3.44Å |
| 872 | A | 74 | Confident | 83.8 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -41.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L707 F867 E870 N874 T875 V876 | L707-A872 HydrophobicContact CD1-CB 3.87Å; L707-A872 HydrophobicContact CD2-CB 4.1Å; F867-A872 HydrophobicContact CD1-CB 4.08Å; F867-A872 HydrophobicContact CE1-CB 3.97Å; F867-A872 VanDerWaalsContact O-CB 3.3Å; F867-A872 WeakPolarHBondContact O-CB 3.49Å; F867-A872 PolarHBondContact O-N 2.84Å; E870-A872 PolarHBondContact O-N 3.39Å; A872-N874 VanDerWaalsContact C-N 3.28Å; A872-N874 PolarHBondContact O-N 3.04Å; A872-T875 PolarHBondContact O-N 2.94Å; A872-T875 PolarHBondContact O-OG1 3.46Å; A872-V876 WeakPolarHBondContact O-CG2 3.48Å |
| 873 | L | 73.8 | Confident | 82.9 | Confident | 82 Ų | 82 | 61.9 Ų | 61.9 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -67.6 | -30.9 | -176.7 | -153.7 | 74.8 | 0 | 0 | 0 | 111.9 | P704 L707 E870 T875 | P704-L873 HydrophobicContact CB-CD1 4.07Å; L707-L873 HydrophobicContact CB-CD1 4.44Å; L707-L873 HydrophobicContact CD1-CD1 4.06Å; E870-L873 PolarHBondContact O-N 3.27Å; L873-T875 PolarHBondContact O-N 2.72Å |
| 874 | N | 70.1 | Confident | 81.8 | Confident | 136 Ų | 136 | 61.3 Ų | 61.3 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -73.7 | 3.6 | 172.6 | -68.8 | -44 | 0 | 0 | 0 | 114.2 | E870 A872 | E870-N874 PolarHBondContact O-N 2.98Å; E870-N874 VanDerWaalsContact O-N 3.08Å; E870-N874 PolarHBondContact O-ND2 2.73Å; A872-N874 VanDerWaalsContact C-N 3.28Å; A872-N874 PolarHBondContact O-N 3.04Å |
| 875 | T | 61.4 | Low | 80.5 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 64% | 0.644 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -121.8 | 20.3 | -179.7 | 61.3 | 0 | 0 | 0 | 0 | 114 | D871 A872 L873 | D871-T875 WeakPolarHBondContact O-CG2 3.44Å; A872-T875 PolarHBondContact O-N 2.94Å; A872-T875 PolarHBondContact O-OG1 3.46Å; L873-T875 PolarHBondContact O-N 2.72Å |
| 876 | V | 59.8 | Low | 79 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | trans | -114.5 | 0 | -178.5 | -170.1 | 0 | 0 | 0 | 0 | 112.1 | Y703 P704 L707 A872 | Y703-V876 HydrophobicContact CD1-CG1 3.97Å; Y703-V876 HydrophobicContact CD1-CG2 3.75Å; Y703-V876 HydrophobicContact CE1-CG2 3.56Å; P704-V876 HydrophobicContact CG-CG1 4.03Å; L707-V876 HydrophobicContact CD1-CG2 4.25Å; A872-V876 WeakPolarHBondContact O-CG2 3.48Å |
Retrieved 876 of 876 residues in 1422.4 ms
(Link to these results)