| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.2 | Very low | 44 | Very low | 238 Ų | 238 | 139.5 Ų | 139.5 | 100% | 1.172 | 70% | 0.703 | S | S | * | * | 0 | 42.7 | 0 | -69.3 | 169.7 | 80.3 | 0 | 0 | 113.3 | |||||
| 2 | K | 36.8 | Very low | 45.3 | Very low | 193 Ų | 193 | 136 Ų | 136 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | trans | -131.8 | 24 | 173.7 | -79.2 | -170.3 | 177.9 | -179.6 | 0 | 113 | ||||
| 3 | F | 34.3 | Very low | 47.2 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -106.5 | -11.9 | 176.4 | -145.5 | -94 | 0 | 0 | 0 | 112.5 | ||
| 4 | L | 34.1 | Very low | 48.9 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 71% | 0.712 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -100.9 | 9.3 | -179.1 | -73.9 | 159.8 | 0 | 0 | 0 | 113.1 | T6 F7 | L4-T6 PolarHBondContact O-N 3.39Å; L4-F7 HydrophobicContact CB-CE2 4.36Å; L4-F7 HydrophobicContact CD2-CE2 3.62Å; L4-F7 HydrophobicContact CD2-CZ 4.08Å; L4-F7 VanDerWaalsContact O-CD2 3.23Å; L4-F7 WeakPolarHBondContact O-CD2 3.34Å |
| 5 | S | 37.9 | Very low | 50.6 | Low | 101 Ų | 101 | 129.1 Ų | 129.1 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | -85.9 | 9.1 | 172.9 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | F7 | S5-F7 VanDerWaalsContact C-N 3.31Š| ||
| 6 | T | 45.1 | Very low | 52.5 | Low | 99 Ų | 99 | 125.1 Ų | 125.1 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | trans | -98.3 | 31.2 | 177.7 | -27.5 | 0 | 0 | 0 | 0 | 111.4 | L4 | L4-T6 PolarHBondContact O-N 3.39Š| ||
| 7 | F | 47.5 | Very low | 54.4 | Low | 145 Ų | 145 | 128.3 Ų | 128.3 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -90.9 | 127.7 | 162.7 | -68.9 | -71.9 | 0 | 0 | 0 | 107.4 | L4 S5 T9 | L4-F7 HydrophobicContact CB-CE2 4.36Å; L4-F7 HydrophobicContact CD2-CE2 3.62Å; L4-F7 HydrophobicContact CD2-CZ 4.08Å; L4-F7 VanDerWaalsContact O-CD2 3.23Å; L4-F7 WeakPolarHBondContact O-CD2 3.34Å; S5-F7 VanDerWaalsContact C-N 3.31Å; F7-T9 PolarHBondContact O-N 3.46Å |
| 8 | V | 50.4 | Low | 56.2 | Low | 60 Ų | 60 | 122.4 Ų | 122.4 | 36% | 0.364 | 61% | 0.606 | S | S | . | * | trans | -57.6 | 102.8 | 171.5 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | F10 F77 | V8-F10 HydrophobicContact CB-CZ 4.42Å; V8-F10 HydrophobicContact CG1-CD1 4.13Å; V8-F10 HydrophobicContact CG1-CE1 3.81Å; V8-F10 HydrophobicContact CG1-CE2 4.23Å; V8-F10 HydrophobicContact CG1-CG 4.48Å; V8-F10 HydrophobicContact CG1-CZ 3.87Å; V8-F10 PolarHBondContact O-N 3.27Å; V8-F77 HydrophobicContact CG1-CB 3.85Å; V8-F77 HydrophobicContact CG1-CD2 4.3Å; V8-F77 HydrophobicContact CG1-CG 4.18Å | ||
| 9 | T | 48.9 | Very low | 58 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | trans | -76 | 104 | 171.2 | 47.7 | 0 | 0 | 0 | 0 | 106.9 | F7 E11 | F7-T9 PolarHBondContact O-N 3.46Å; T9-E11 PolarHBondContact O-N 3.23Å | ||
| 10 | F | 57.3 | Low | 59.8 | Low | 108 Ų | 108 | 117.5 Ų | 117.5 | 47% | 0.474 | 59% | 0.591 | S | S | . | * | trans | -69.9 | 96.7 | 172.1 | -64.7 | -75.6 | 0 | 0 | 0 | 108.3 | V8 N12 E15 V16 F77 | V8-F10 HydrophobicContact CB-CZ 4.42Å; V8-F10 HydrophobicContact CG1-CD1 4.13Å; V8-F10 HydrophobicContact CG1-CE1 3.81Å; V8-F10 HydrophobicContact CG1-CE2 4.23Å; V8-F10 HydrophobicContact CG1-CG 4.48Å; V8-F10 HydrophobicContact CG1-CZ 3.87Å; V8-F10 PolarHBondContact O-N 3.27Å; F10-N12 PolarHBondContact O-N 3.29Å; F10-E15 HydrophobicContact CD1-CB 4.49Å; F10-V16 HydrophobicContact CD1-CG2 3.9Å; F10-V16 HydrophobicContact CE1-CG2 4.29Å; F10-V16 HydrophobicContact CG-CG2 4.27Å; F10-F77 AromaticContact CE1-CD1 3.95Å; F10-F77 HydrophobicContact CE1-CD1 3.95Å; F10-F77 HydrophobicContact CE1-CD2 4.15Å; F10-F77 AromaticContact CE1-CE1 3.79Å; F10-F77 HydrophobicContact CE1-CE1 3.79Å; F10-F77 AromaticContact CE1-CE2 3.97Å; F10-F77 HydrophobicContact CE1-CE2 3.97Å; F10-F77 HydrophobicContact CE1-CG 4.15Å; F10-F77 AromaticContact CE1-CZ 3.8Å; F10-F77 HydrophobicContact CE1-CZ 3.8Å; F10-F77 HydrophobicContact CZ-CD2 4.41Å; F10-F77 HydrophobicContact CZ-CE2 4.11Å; F10-F77 HydrophobicContact CZ-CZ 4.27Å | ||
| 11 | E | 55.9 | Low | 61.4 | Low | 154 Ų | 154 | 114.3 Ų | 114.3 | 72% | 0.72 | 57% | 0.574 | S | S | * | * | trans | -73 | -22.1 | 178.6 | -68.2 | -175.1 | 168.6 | 0 | 0 | 111.4 | T9 | T9-E11 PolarHBondContact O-N 3.23Š| ||
| 12 | N | 60.1 | Low | 64.3 | Low | 98 Ų | 98 | 109.4 Ų | 109.4 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | trans | -146.3 | 137.9 | -173 | -71.9 | -67.7 | 0 | 0 | 0 | 114 | F10 H14 E15 | F10-N12 PolarHBondContact O-N 3.29Å; N12-H14 HydrophobicContact CB-CB 4.41Å; N12-H14 PolarHBondContact O-N 3.29Å; N12-E15 HydrophobicContact CB-CG 4.4Å; N12-E15 WeakPolarHBondContact O-CB 3.37Å; N12-E15 PolarHBondContact O-N 2.92Å | ||
| 13 | L | 69.5 | Low | 67.1 | Low | 145 Ų | 145 | 100.2 Ų | 100.2 | 76% | 0.759 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -52.2 | -27.1 | 169.7 | -82.6 | 151.1 | 0 | 0 | 0 | 113.4 | E15 V16 R17 | L13-E15 VanDerWaalsContact C-N 3.26Å; L13-E15 PolarHBondContact O-N 3.45Å; L13-V16 PolarHBondContact O-N 2.91Å; L13-R17 WeakPolarHBondContact O-CG 3.31Å; L13-R17 PolarHBondContact O-N 3.17Å; L13-R17 VanDerWaalsContact O-N 3.14Å |
| 14 | H | 71.3 | Confident | 70.1 | Confident | 123 Ų | 123 | 90.9 Ų | 90.9 | 57% | 0.569 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.1 | -31.3 | 176.1 | -178.6 | -88.5 | 0 | 0 | 0 | 112.9 | N12 | N12-H14 HydrophobicContact CB-CB 4.41Å; N12-H14 PolarHBondContact O-N 3.29Å |
| 15 | E | 74.6 | Confident | 73.1 | Confident | 37 Ų | 37 | 88.4 Ų | 88.4 | 17% | 0.173 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -72.7 | -39.8 | 179.8 | -57.1 | -164.1 | 135.1 | 0 | 0 | 111.4 | F10 N12 L13 R17 R18 | F10-E15 HydrophobicContact CD1-CB 4.49Å; N12-E15 HydrophobicContact CB-CG 4.4Å; N12-E15 WeakPolarHBondContact O-CB 3.37Å; N12-E15 PolarHBondContact O-N 2.92Å; L13-E15 VanDerWaalsContact C-N 3.26Å; L13-E15 PolarHBondContact O-N 3.45Å; E15-R17 VanDerWaalsContact C-N 3.33Å; E15-R17 PolarHBondContact O-N 3.07Å; E15-R18 WeakPolarHBondContact O-CB 3.39Å; E15-R18 VanDerWaalsContact O-CG 3.31Å; E15-R18 WeakPolarHBondContact O-CG 3.45Å; E15-R18 PolarHBondContact O-N 3.09Å; E15-R18 VanDerWaalsContact O-N 3.08Å; E15-R18 IonicContact OE1-NH2 2.65Å |
| 16 | V | 80.4 | Confident | 75.9 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 39% | 0.394 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 175.9 | -176 | 0 | 0 | 0 | 0 | 111 | F10 L13 R18 L19 | F10-V16 HydrophobicContact CD1-CG2 3.9Å; F10-V16 HydrophobicContact CE1-CG2 4.29Å; F10-V16 HydrophobicContact CG-CG2 4.27Å; L13-V16 PolarHBondContact O-N 2.91Å; V16-R18 PolarHBondContact O-N 3.48Å; V16-L19 HydrophobicContact CG1-CD1 4.44Å; V16-L19 WeakPolarHBondContact O-CB 3.47Å; V16-L19 PolarHBondContact O-N 3.21Å |
| 17 | R | 85.6 | Confident | 78.4 | Confident | 179 Ų | 179 | 83.3 Ų | 83.3 | 68% | 0.675 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -57.8 | -19.7 | 172.9 | -74.6 | -179.4 | -177.2 | 178.9 | 1.4 | 113.1 | L13 E15 L19 C20 | L13-R17 WeakPolarHBondContact O-CG 3.31Å; L13-R17 PolarHBondContact O-N 3.17Å; L13-R17 VanDerWaalsContact O-N 3.14Å; E15-R17 VanDerWaalsContact C-N 3.33Å; E15-R17 PolarHBondContact O-N 3.07Å; R17-L19 PolarHBondContact O-N 3.29Å; R17-C20 PolarHBondContact O-N 2.99Å |
| 18 | R | 87.2 | Confident | 80.8 | Confident | 22 Ų | 22 | 78.4 Ų | 78.4 | 8% | 0.083 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -60 | -34.5 | 175.2 | -64.5 | -179 | -177.2 | 148.9 | 9.9 | 111.8 | E15 V16 C20 H21 M76 N133 N134 | E15-R18 WeakPolarHBondContact O-CB 3.39Å; E15-R18 VanDerWaalsContact O-CG 3.31Å; E15-R18 WeakPolarHBondContact O-CG 3.45Å; E15-R18 PolarHBondContact O-N 3.09Å; E15-R18 VanDerWaalsContact O-N 3.08Å; E15-R18 IonicContact OE1-NH2 2.65Å; V16-R18 PolarHBondContact O-N 3.48Å; R18-C20 PolarHBondContact O-N 3.28Å; R18-H21 WeakPolarHBondContact O-CB 3.37Å; R18-H21 PolarHBondContact O-N 2.94Å; R18-M76 HydrophobicContact CB-SD 4.35Å; R18-M76 PolarHBondContact NH1-O 2.79Å; R18-M76 VanDerWaalsContact NH1-O 3.07Å; R18-N133 WeakPolarHBondContact CA-ND2 3.33Å; R18-N133 HydrophobicContact CB-CB 4.27Å; R18-N133 PolarHBondContact O-ND2 2.82Å; R18-N134 PolarHBondContact NH1-ND2 2.92Å |
| 19 | L | 90.8 | Very high | 83 | Confident | 49 Ų | 49 | 78.1 Ų | 78.1 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -65 | -26.3 | 179.6 | -65.9 | 170.8 | 0 | 0 | 0 | 113.1 | V16 R17 H21 I25 L28 F73 M76 F77 | V16-L19 HydrophobicContact CG1-CD1 4.44Å; V16-L19 WeakPolarHBondContact O-CB 3.47Å; V16-L19 PolarHBondContact O-N 3.21Å; R17-L19 PolarHBondContact O-N 3.29Å; L19-H21 PolarHBondContact O-N 3.12Å; L19-I25 WeakPolarHBondContact O-CG1 3.43Å; L19-L28 HydrophobicContact CD2-CD1 3.93Å; L19-F73 HydrophobicContact CD2-CE1 3.99Å; L19-M76 HydrophobicContact CD2-CE 3.92Å; L19-M76 HydrophobicContact CD2-SD 3.56Å; L19-M76 VanDerWaalsContact CD2-SD 3.56Å; L19-M76 HydrophobicContact CG-SD 4.22Å; L19-F77 HydrophobicContact CD1-CZ 4.14Å; L19-F77 HydrophobicContact CD2-CZ 4.1Å; L19-F77 HydrophobicContact CG-CZ 4.1Å |
| 20 | C | 92.3 | Very high | 85.4 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 66% | 0.655 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -80.1 | -2.6 | -178.7 | -55.8 | 0 | 0 | 0 | 0 | 113.4 | R17 R18 I25 | R17-C20 PolarHBondContact O-N 2.99Å; R18-C20 PolarHBondContact O-N 3.28Å; C20-I25 WeakPolarHBondContact O-CD1 3.37Å |
| 21 | H | 94.1 | Very high | 87.3 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -74.7 | 147.2 | 173.2 | -179.3 | -96 | 0 | 0 | 0 | 110.3 | R18 L19 G23 P24 I25 P130 N133 | R18-H21 WeakPolarHBondContact O-CB 3.37Å; R18-H21 PolarHBondContact O-N 2.94Å; L19-H21 PolarHBondContact O-N 3.12Å; H21-G23 PolarHBondContact ND1-N 3.31Å; H21-G23 PolarHBondContact O-N 3.44Å; H21-G23 VanDerWaalsContact O-N 3.09Å; H21-P24 VanDerWaalsContact O-CD 3.25Å; H21-P24 WeakPolarHBondContact O-CD 3.44Å; H21-I25 WeakPolarHBondContact O-CG1 3.21Å; H21-I25 PolarHBondContact O-N 3.4Å; H21-I25 VanDerWaalsContact O-N 3.17Å; H21-P130 PolarHBondContact CE1-O 2.95Å; H21-P130 PolarHBondContact ND1-O 3.29Å; H21-P130 VanDerWaalsContact ND1-O 3.17Å; H21-N133 HydrophobicContact CB-CB 3.88Å; H21-N133 WeakPolarHBondContact CB-ND2 3.26Å |
| 22 | W | 95.6 | Very high | 89.3 | Confident | 134 Ų | 134 | 65.4 Ų | 65.4 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.3 | -35.1 | -176.5 | 64.3 | -97.5 | 0 | 0 | 0 | 113.3 | I25 I26 P130 W131 | W22-I25 PolarHBondContact O-N 2.78Å; W22-I26 HydrophobicContact CE3-CD1 3.9Å; W22-I26 WeakPolarHBondContact O-CB 3.36Å; W22-I26 WeakPolarHBondContact O-CG1 3.22Å; W22-I26 PolarHBondContact O-N 3.15Å; W22-P130 HydrophobicContact CH2-CB 3.87Å; W22-P130 HydrophobicContact CH2-CG 4.07Å; W22-P130 HydrophobicContact CZ2-CB 3.63Å; W22-P130 HydrophobicContact CZ2-CG 4.21Å; W22-W131 HydrophobicContact CZ3-CE3 4.27Å; W22-W131 AromaticContact CZ3-CH2 3.94Å; W22-W131 HydrophobicContact CZ3-CH2 3.94Å; W22-W131 HydrophobicContact CZ3-CZ2 4.27Å; W22-W131 AromaticContact CZ3-CZ3 3.94Å; W22-W131 HydrophobicContact CZ3-CZ3 3.94Å |
| 23 | G | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.5 | -58.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H21 I25 I26 A27 P130 | H21-G23 PolarHBondContact ND1-N 3.31Å; H21-G23 PolarHBondContact O-N 3.44Å; H21-G23 VanDerWaalsContact O-N 3.09Å; G23-I25 VanDerWaalsContact C-N 3.35Å; G23-I25 PolarHBondContact O-N 2.85Å; G23-I26 PolarHBondContact O-N 2.65Å; G23-A27 WeakPolarHBondContact O-CB 3.49Å; G23-A27 PolarHBondContact O-N 2.79Å; G23-P130 WeakPolarHBondContact CA-O 3.2Å |
| 24 | P | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 173.8 | -31.4 | 38.2 | 0 | 0 | 0 | 115.4 | H21 I26 A27 L28 Y72 M76 P130 W131 N133 | H21-P24 VanDerWaalsContact O-CD 3.25Å; H21-P24 WeakPolarHBondContact O-CD 3.44Å; P24-I26 VanDerWaalsContact C-N 3.34Å; P24-I26 PolarHBondContact O-N 2.88Å; P24-A27 PolarHBondContact O-N 2.93Å; P24-L28 VanDerWaalsContact O-CB 3.3Å; P24-L28 WeakPolarHBondContact O-CB 3.3Å; P24-L28 VanDerWaalsContact O-CG 3.3Å; P24-L28 WeakPolarHBondContact O-CG 3.41Å; P24-L28 PolarHBondContact O-N 2.85Å; P24-Y72 WeakPolarHBondContact CA-OH 3.37Å; P24-Y72 VanDerWaalsContact CB-OH 3.3Å; P24-Y72 WeakPolarHBondContact CB-OH 3.33Å; P24-M76 HydrophobicContact CB-CE 3.87Å; P24-M76 HydrophobicContact CG-CE 3.82Å; P24-P130 WeakPolarHBondContact CD-O 3.31Å; P24-W131 WeakPolarHBondContact CG-O 3.32Å; P24-N133 HydrophobicContact CG-CB 3.88Å |
| 25 | I | 97.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 52 Ų | 52 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 176.2 | -66.6 | 171.3 | 0 | 0 | 0 | 110.2 | L19 C20 H21 W22 G23 S29 | L19-I25 WeakPolarHBondContact O-CG1 3.43Å; C20-I25 WeakPolarHBondContact O-CD1 3.37Å; H21-I25 WeakPolarHBondContact O-CG1 3.21Å; H21-I25 PolarHBondContact O-N 3.4Å; H21-I25 VanDerWaalsContact O-N 3.17Å; W22-I25 PolarHBondContact O-N 2.78Å; G23-I25 VanDerWaalsContact C-N 3.35Å; G23-I25 PolarHBondContact O-N 2.85Å; I25-S29 VanDerWaalsContact O-CB 3.24Å; I25-S29 WeakPolarHBondContact O-CB 3.47Å; I25-S29 PolarHBondContact O-N 2.71Å; I25-S29 PolarHBondContact O-OG 3.46Å |
| 26 | I | 97.6 | Very high | 94.8 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 41% | 0.41 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.7 | -47.3 | -179.7 | -71 | 164.4 | 0 | 0 | 0 | 110.9 | W22 G23 P24 L28 S29 V30 W131 | W22-I26 HydrophobicContact CE3-CD1 3.9Å; W22-I26 WeakPolarHBondContact O-CB 3.36Å; W22-I26 WeakPolarHBondContact O-CG1 3.22Å; W22-I26 PolarHBondContact O-N 3.15Å; G23-I26 PolarHBondContact O-N 2.65Å; P24-I26 VanDerWaalsContact C-N 3.34Å; P24-I26 PolarHBondContact O-N 2.88Å; I26-L28 PolarHBondContact O-N 3.02Å; I26-S29 PolarHBondContact O-N 2.98Å; I26-V30 HydrophobicContact CG2-CG2 4.4Å; I26-V30 WeakPolarHBondContact O-CG2 3.37Å; I26-V30 PolarHBondContact O-N 2.85Å; I26-W131 HydrophobicContact CB-CZ3 4.11Å; I26-W131 HydrophobicContact CG2-CZ3 3.79Å |
| 27 | A | 97.1 | Very high | 95.6 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 12% | 0.116 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G23 P24 V30 I31 Y72 | G23-A27 WeakPolarHBondContact O-CB 3.49Å; G23-A27 PolarHBondContact O-N 2.79Å; P24-A27 PolarHBondContact O-N 2.93Å; A27-V30 PolarHBondContact O-N 3.26Å; A27-I31 WeakPolarHBondContact O-CD1 3.33Å; A27-I31 VanDerWaalsContact O-CG1 3.26Å; A27-I31 WeakPolarHBondContact O-CG1 3.48Å; A27-I31 PolarHBondContact O-N 2.82Å; A27-Y72 HydrophobicContact CB-CE2 3.96Å |
| 28 | L | 97.7 | Very high | 96.1 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.4 | -36.7 | 178.5 | -69.1 | 172.4 | 0 | 0 | 0 | 112.1 | L19 P24 I26 I31 A32 L69 Y72 F73 | L19-L28 HydrophobicContact CD2-CD1 3.93Å; P24-L28 VanDerWaalsContact O-CB 3.3Å; P24-L28 WeakPolarHBondContact O-CB 3.3Å; P24-L28 VanDerWaalsContact O-CG 3.3Å; P24-L28 WeakPolarHBondContact O-CG 3.41Å; P24-L28 PolarHBondContact O-N 2.85Å; I26-L28 PolarHBondContact O-N 3.02Å; L28-I31 PolarHBondContact O-N 3.32Å; L28-A32 VanDerWaalsContact O-CB 3.28Å; L28-A32 WeakPolarHBondContact O-CB 3.16Å; L28-A32 PolarHBondContact O-N 2.88Å; L28-L69 HydrophobicContact CD2-CD2 3.92Å; L28-Y72 HydrophobicContact CD1-CE1 4.33Å; L28-Y72 HydrophobicContact CD2-CD1 3.83Å; L28-Y72 HydrophobicContact CD2-CE1 3.63Å; L28-Y72 HydrophobicContact CG-CE1 3.85Å; L28-F73 HydrophobicContact CD1-CE1 4.39Å; L28-F73 HydrophobicContact CD1-CZ 4.48Å; L28-F73 HydrophobicContact CD2-CE1 4.25Å; L28-F73 HydrophobicContact CD2-CZ 3.88Å |
| 29 | S | 97.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 38% | 0.378 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | I25 I26 A32 I33 | I25-S29 VanDerWaalsContact O-CB 3.24Å; I25-S29 WeakPolarHBondContact O-CB 3.47Å; I25-S29 PolarHBondContact O-N 2.71Å; I25-S29 PolarHBondContact O-OG 3.46Å; I26-S29 PolarHBondContact O-N 2.98Å; S29-A32 PolarHBondContact O-N 3.19Å; S29-I33 WeakPolarHBondContact O-CB 3.17Å; S29-I33 WeakPolarHBondContact O-CD1 3.44Å; S29-I33 WeakPolarHBondContact O-CG1 3.4Å; S29-I33 PolarHBondContact O-N 2.84Å |
| 30 | V | 98.1 | Very high | 96.6 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 16% | 0.158 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 111 | I26 A27 A32 I33 C34 | I26-V30 HydrophobicContact CG2-CG2 4.4Å; I26-V30 WeakPolarHBondContact O-CG2 3.37Å; I26-V30 PolarHBondContact O-N 2.85Å; A27-V30 PolarHBondContact O-N 3.26Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 2.95Å; V30-I33 PolarHBondContact O-N 3.23Å; V30-C34 WeakPolarHBondContact O-CB 3.28Å; V30-C34 PolarHBondContact O-N 3.17Å; V30-C34 PolarHBondContact O-SG 3.29Å; V30-C34 VanDerWaalsContact O-SG 3.38Å |
| 31 | I | 98 | Very high | 96.6 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 176 | -67.9 | 161 | 0 | 0 | 0 | 110.3 | A27 L28 S35 I68 L69 F147 | A27-I31 WeakPolarHBondContact O-CD1 3.33Å; A27-I31 VanDerWaalsContact O-CG1 3.26Å; A27-I31 WeakPolarHBondContact O-CG1 3.48Å; A27-I31 PolarHBondContact O-N 2.82Å; L28-I31 PolarHBondContact O-N 3.32Å; I31-S35 VanDerWaalsContact O-CB 3.23Å; I31-S35 WeakPolarHBondContact O-CB 3.4Å; I31-S35 PolarHBondContact O-N 3.06Å; I31-S35 PolarHBondContact O-OG 3.12Å; I31-I68 HydrophobicContact CD1-CG2 3.85Å; I31-I68 HydrophobicContact CG1-CG2 4.09Å; I31-I68 HydrophobicContact CG2-CG2 4.44Å; I31-L69 HydrophobicContact CD1-CD2 4.42Å; I31-L69 HydrophobicContact CG2-CD2 3.94Å; I31-L69 HydrophobicContact CG2-CG 4.26Å; I31-F147 HydrophobicContact CD1-CE2 4.29Å |
| 32 | A | 97.8 | Very high | 96.4 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.8 | -55.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L28 S29 V30 C34 S35 T36 | L28-A32 VanDerWaalsContact O-CB 3.28Å; L28-A32 WeakPolarHBondContact O-CB 3.16Å; L28-A32 PolarHBondContact O-N 2.88Å; S29-A32 PolarHBondContact O-N 3.19Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 2.95Å; A32-C34 PolarHBondContact O-N 3.3Å; A32-S35 PolarHBondContact O-N 3.24Å; A32-S35 PolarHBondContact O-OG 3.43Å; A32-S35 VanDerWaalsContact O-OG 3.09Å; A32-T36 WeakPolarHBondContact O-CB 3.47Å; A32-T36 VanDerWaalsContact O-CG2 3.29Å; A32-T36 WeakPolarHBondContact O-CG2 3.35Å; A32-T36 PolarHBondContact O-N 3.25Å; A32-T36 PolarHBondContact O-OG1 3.24Å |
| 33 | I | 98.1 | Very high | 96.2 | Very high | 60 Ų | 60 | 34.8 Ų | 34.8 | 31% | 0.308 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58 | -50.4 | -177.9 | -67.4 | 164.8 | 0 | 0 | 0 | 111.3 | S29 V30 T36 M37 A208 L211 | S29-I33 WeakPolarHBondContact O-CB 3.17Å; S29-I33 WeakPolarHBondContact O-CD1 3.44Å; S29-I33 WeakPolarHBondContact O-CG1 3.4Å; S29-I33 PolarHBondContact O-N 2.84Å; V30-I33 PolarHBondContact O-N 3.23Å; I33-T36 PolarHBondContact O-OG1 2.79Å; I33-M37 HydrophobicContact CG2-CG 4.47Å; I33-M37 VanDerWaalsContact O-CB 3.26Å; I33-M37 WeakPolarHBondContact O-CB 3.33Å; I33-M37 VanDerWaalsContact O-CG 3.27Å; I33-M37 WeakPolarHBondContact O-CG 3.39Å; I33-M37 PolarHBondContact O-N 3.41Å; I33-A208 HydrophobicContact CG2-CB 4.49Å; I33-L211 HydrophobicContact CB-CD1 4.4Å; I33-L211 HydrophobicContact CD1-CD1 4.36Å; I33-L211 HydrophobicContact CG2-CD1 3.94Å |
| 34 | C | 98.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | -178 | -69.4 | 0 | 0 | 0 | 0 | 112 | V30 A32 A38 | V30-C34 WeakPolarHBondContact O-CB 3.28Å; V30-C34 PolarHBondContact O-N 3.17Å; V30-C34 PolarHBondContact O-SG 3.29Å; V30-C34 VanDerWaalsContact O-SG 3.38Å; A32-C34 PolarHBondContact O-N 3.3Å; C34-A38 VanDerWaalsContact O-CB 3.25Å; C34-A38 WeakPolarHBondContact O-CB 3.34Å; C34-A38 PolarHBondContact O-N 3.33Å |
| 35 | S | 97.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 38 Ų | 38 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.3 | -46.5 | -179.2 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | I31 A32 M37 A38 M39 T65 | I31-S35 VanDerWaalsContact O-CB 3.23Å; I31-S35 WeakPolarHBondContact O-CB 3.4Å; I31-S35 PolarHBondContact O-N 3.06Å; I31-S35 PolarHBondContact O-OG 3.12Å; A32-S35 PolarHBondContact O-N 3.24Å; A32-S35 PolarHBondContact O-OG 3.43Å; A32-S35 VanDerWaalsContact O-OG 3.09Å; S35-M37 PolarHBondContact O-N 3.25Å; S35-A38 PolarHBondContact O-N 2.89Å; S35-M39 WeakPolarHBondContact O-CB 3.48Å; S35-M39 VanDerWaalsContact O-CG 3.24Å; S35-M39 WeakPolarHBondContact O-CG 3.41Å; S35-M39 PolarHBondContact O-N 3.47Å; S35-T65 WeakPolarHBondContact CB-OG1 3.37Å |
| 36 | T | 96.8 | Very high | 94.5 | Very high | 70 Ų | 70 | 37.1 Ų | 37.1 | 43% | 0.429 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 179.8 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | A32 I33 M39 L40 | A32-T36 WeakPolarHBondContact O-CB 3.47Å; A32-T36 VanDerWaalsContact O-CG2 3.29Å; A32-T36 WeakPolarHBondContact O-CG2 3.35Å; A32-T36 PolarHBondContact O-N 3.25Å; A32-T36 PolarHBondContact O-OG1 3.24Å; I33-T36 PolarHBondContact O-OG1 2.79Å; T36-M39 PolarHBondContact O-N 3.44Å; T36-L40 WeakPolarHBondContact O-CB 3.28Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.4Å; T36-L40 PolarHBondContact O-N 3.45Å |
| 37 | M | 96.8 | Very high | 93.7 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 14% | 0.138 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 177.3 | -71.7 | -49.5 | -48.9 | 0 | 0 | 111.9 | I33 S35 M39 L40 D41 F162 A204 A208 | I33-M37 HydrophobicContact CG2-CG 4.47Å; I33-M37 VanDerWaalsContact O-CB 3.26Å; I33-M37 WeakPolarHBondContact O-CB 3.33Å; I33-M37 VanDerWaalsContact O-CG 3.27Å; I33-M37 WeakPolarHBondContact O-CG 3.39Å; I33-M37 PolarHBondContact O-N 3.41Å; S35-M37 PolarHBondContact O-N 3.25Å; M37-M39 VanDerWaalsContact C-N 3.29Å; M37-M39 PolarHBondContact O-N 2.91Å; M37-L40 HydrophobicContact CE-CD1 4.49Å; M37-L40 PolarHBondContact O-N 3.2Å; M37-L40 HydrophobicContact SD-CD1 4.07Å; M37-D41 WeakPolarHBondContact O-CB 3.32Å; M37-D41 PolarHBondContact O-N 3.19Å; M37-F162 HydrophobicContact CB-CE1 3.83Å; M37-F162 HydrophobicContact CB-CZ 3.88Å; M37-A204 HydrophobicContact CE-CB 4.24Å; M37-A208 HydrophobicContact CB-CB 3.9Å; M37-A208 HydrophobicContact CG-CB 4Å |
| 38 | A | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -36.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C34 S35 S42 L61 A158 F162 | C34-A38 VanDerWaalsContact O-CB 3.25Å; C34-A38 WeakPolarHBondContact O-CB 3.34Å; C34-A38 PolarHBondContact O-N 3.33Å; S35-A38 PolarHBondContact O-N 2.89Å; A38-S42 WeakPolarHBondContact O-CB 3.08Å; A38-S42 PolarHBondContact O-N 2.83Å; A38-S42 PolarHBondContact O-OG 3.28Å; A38-L61 HydrophobicContact CB-CD1 4.35Å; A38-L61 HydrophobicContact CB-CD2 4.16Å; A38-A158 HydrophobicContact CB-CB 3.82Å; A38-F162 VanDerWaalsContact CA-CE1 3.49Å; A38-F162 HydrophobicContact CB-CE1 3.95Å; A38-F162 HydrophobicContact CB-CZ 3.9Å |
| 39 | M | 95.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 19% | 0.192 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -45.9 | 173.9 | -71.5 | 174.5 | -170.4 | 0 | 0 | 111.6 | S35 T36 M37 S42 I43 F58 I62 T65 | S35-M39 WeakPolarHBondContact O-CB 3.48Å; S35-M39 VanDerWaalsContact O-CG 3.24Å; S35-M39 WeakPolarHBondContact O-CG 3.41Å; S35-M39 PolarHBondContact O-N 3.47Å; T36-M39 PolarHBondContact O-N 3.44Å; M37-M39 VanDerWaalsContact C-N 3.29Å; M37-M39 PolarHBondContact O-N 2.91Å; M39-S42 PolarHBondContact O-N 2.81Å; M39-I43 WeakPolarHBondContact O-CD1 3.35Å; M39-I43 VanDerWaalsContact O-CG1 3.24Å; M39-I43 WeakPolarHBondContact O-CG1 3.39Å; M39-I43 PolarHBondContact O-N 3.49Å; M39-F58 HydrophobicContact CB-CE2 3.98Å; M39-F58 HydrophobicContact CG-CE2 3.99Å; M39-I62 HydrophobicContact CE-CG1 3.87Å; M39-T65 WeakPolarHBondContact CE-OG1 3.39Å |
| 40 | L | 93.5 | Very high | 91.7 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 177.1 | -71.6 | 172.1 | 0 | 0 | 0 | 111.6 | T36 M37 S42 I43 I44 W45 | T36-L40 WeakPolarHBondContact O-CB 3.28Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.4Å; T36-L40 PolarHBondContact O-N 3.45Å; M37-L40 HydrophobicContact CE-CD1 4.49Å; M37-L40 PolarHBondContact O-N 3.2Å; M37-L40 HydrophobicContact SD-CD1 4.07Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 3.03Å; L40-I43 PolarHBondContact O-N 3.3Å; L40-I44 HydrophobicContact CB-CD1 4.4Å; L40-I44 HydrophobicContact CD2-CD1 4.02Å; L40-I44 WeakPolarHBondContact O-CB 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.12Å; L40-I44 PolarHBondContact O-N 3.15Å; L40-W45 HydrophobicContact CB-CZ3 4.44Å |
| 41 | D | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.9 | -78 | 21.5 | 0 | 0 | 0 | 111.9 | M37 W45 Y46 I161 F162 T165 T205 | M37-D41 WeakPolarHBondContact O-CB 3.32Å; M37-D41 PolarHBondContact O-N 3.19Å; D41-W45 HydrophobicContact CB-CE3 4.47Å; D41-W45 PolarHBondContact O-N 2.98Å; D41-W45 VanDerWaalsContact O-N 3.09Å; D41-W45 WeakPolarHBondContact OD1-CZ3 3.16Å; D41-Y46 WeakPolarHBondContact O-CB 3.42Å; D41-Y46 PolarHBondContact O-N 2.85Å; D41-I161 HydrophobicContact CB-CG2 4.08Å; D41-F162 HydrophobicContact CB-CD1 4.49Å; D41-F162 WeakPolarHBondContact OD2-CD1 3.08Å; D41-T165 HydrophobicContact CB-CG2 4.21Å; D41-T205 PolarHBondContact OD1-OG1 3.41Å; D41-T205 WeakPolarHBondContact OD2-CG2 3.48Å; D41-T205 PolarHBondContact OD2-OG1 3.41Å |
| 42 | S | 90.9 | Very high | 91 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -63.1 | -44.3 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | A38 M39 L40 W47 N57 L61 | A38-S42 WeakPolarHBondContact O-CB 3.08Å; A38-S42 PolarHBondContact O-N 2.83Å; A38-S42 PolarHBondContact O-OG 3.28Å; M39-S42 PolarHBondContact O-N 2.81Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 3.03Å; S42-W47 CarbonylContact O-C 3.5Å; S42-W47 PolarHBondContact O-N 3.09Å; S42-N57 PolarHBondContact OG-ND2 2.64Å; S42-L61 WeakPolarHBondContact OG-CD1 3.44Å |
| 43 | I | 90.1 | Very high | 90.6 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -72.5 | -43.6 | -176.8 | -66.9 | 166 | 0 | 0 | 0 | 111.8 | M39 L40 L49 F58 L194 | M39-I43 WeakPolarHBondContact O-CD1 3.35Å; M39-I43 VanDerWaalsContact O-CG1 3.24Å; M39-I43 WeakPolarHBondContact O-CG1 3.39Å; M39-I43 PolarHBondContact O-N 3.49Å; L40-I43 PolarHBondContact O-N 3.3Å; I43-L49 HydrophobicContact CG1-CD1 4.16Å; I43-F58 HydrophobicContact CD1-CD2 4.41Å; I43-F58 HydrophobicContact CD1-CE2 3.54Å; I43-F58 HydrophobicContact CD1-CZ 3.86Å; I43-F58 HydrophobicContact CG1-CD2 4.12Å; I43-F58 HydrophobicContact CG1-CE2 3.74Å; I43-F58 HydrophobicContact CG1-CZ 4.37Å; I43-L194 HydrophobicContact CG2-CD1 4.29Å |
| 44 | I | 88.3 | Confident | 90.2 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -96 | -42.2 | -163.9 | -56.1 | 173.7 | 0 | 0 | 0 | 112 | L40 P193 L194 M195 | L40-I44 HydrophobicContact CB-CD1 4.4Å; L40-I44 HydrophobicContact CD2-CD1 4.02Å; L40-I44 WeakPolarHBondContact O-CB 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.12Å; L40-I44 PolarHBondContact O-N 3.15Å; I44-P193 WeakPolarHBondContact O-CA 3.48Å; I44-L194 HydrophobicContact CG2-CB 4.21Å; I44-L194 PolarHBondContact O-N 2.78Å; I44-L194 VanDerWaalsContact O-N 3.13Å; I44-M195 HydrophobicContact CG2-CB 3.82Å; I44-M195 HydrophobicContact CG2-CG 4.27Å |
| 45 | W | 84.3 | Confident | 89.9 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -123.1 | -18.9 | -162.2 | -63.2 | -62.5 | 0 | 0 | 0 | 115.7 | L40 D41 T165 Q169 M195 F197 A201 | L40-W45 HydrophobicContact CB-CZ3 4.44Å; D41-W45 HydrophobicContact CB-CE3 4.47Å; D41-W45 PolarHBondContact O-N 2.98Å; D41-W45 VanDerWaalsContact O-N 3.09Å; D41-W45 WeakPolarHBondContact OD1-CZ3 3.16Å; W45-T165 HydrophobicContact CB-CG2 3.55Å; W45-T165 HydrophobicContact CG-CG2 4.48Å; W45-Q169 HydrophobicContact CB-CG 4.39Å; W45-Q169 PolarHBondContact O-NE2 3.16Å; W45-M195 VanDerWaalsContact CD1-O 3.3Å; W45-M195 PolarHBondContact NE1-O 3.46Å; W45-F197 HydrophobicContact CB-CD2 4.49Å; W45-F197 AromaticContact CD1-CD2 3.81Å; W45-F197 AromaticContact CD2-CD2 3.62Å; W45-F197 HydrophobicContact CD2-CD2 3.62Å; W45-F197 HydrophobicContact CD2-CE2 4.11Å; W45-F197 AromaticContact CE2-CD2 3.75Å; W45-F197 HydrophobicContact CE3-CD2 4.11Å; W45-F197 HydrophobicContact CE3-CE2 4.13Å; W45-F197 AromaticContact CG-CD2 3.73Å; W45-F197 HydrophobicContact CG-CD2 3.73Å; W45-F197 HydrophobicContact CG-CE2 4.42Å; W45-F197 HydrophobicContact CZ2-CD2 4.42Å; W45-F197 AromaticContact NE1-CD2 3.82Å; W45-A201 HydrophobicContact CH2-CB 4.13Å; W45-A201 HydrophobicContact CZ2-CB 4.12Å |
| 46 | Y | 81.3 | Confident | 89.8 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 26% | 0.255 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -112.7 | -69.3 | -171.6 | -173.8 | -122.2 | 0 | 0 | 0 | 115.4 | D41 I161 M164 T165 T168 | D41-Y46 WeakPolarHBondContact O-CB 3.42Å; D41-Y46 PolarHBondContact O-N 2.85Å; Y46-I161 HydrophobicContact CD1-CD1 3.75Å; Y46-I161 HydrophobicContact CD1-CG2 4.3Å; Y46-I161 HydrophobicContact CE1-CD1 3.67Å; Y46-M164 HydrophobicContact CD2-CB 4Å; Y46-M164 HydrophobicContact CE1-CB 4.22Å; Y46-M164 HydrophobicContact CE2-CB 3.3Å; Y46-M164 HydrophobicContact CE2-CG 4.34Å; Y46-M164 VanDerWaalsContact CZ-CB 3.41Å; Y46-M164 WeakPolarHBondContact OH-CB 3.25Å; Y46-T165 WeakPolarHBondContact CB-OG1 3.39Å; Y46-T168 HydrophobicContact CD2-CG2 4.48Å; Y46-T168 HydrophobicContact CE2-CG2 4.31Å |
| 47 | W | 81.9 | Confident | 89.7 | Confident | 102 Ų | 102 | 48.2 Ų | 48.2 | 39% | 0.386 | 26% | 0.256 | S | S | . | . | trans | -130.8 | 101.2 | -170.6 | -159.8 | -20.1 | 0 | 0 | 0 | 111.4 | S42 T51 | S42-W47 CarbonylContact O-C 3.5Å; S42-W47 PolarHBondContact O-N 3.09Å; W47-T51 PolarHBondContact NE1-OG1 3.46Å | ||
| 48 | P | 79.1 | Confident | 89.6 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 21% | 0.214 | 26% | 0.258 | C | S | . | . | trans | -53.2 | 137.6 | -179 | -32.4 | 41.3 | 0 | 0 | 0 | 114.2 | D50 T51 F191 | P48-D50 VanDerWaalsContact C-N 3.29Å; P48-D50 WeakPolarHBondContact CB-OD1 3.22Å; P48-D50 PolarHBondContact O-N 3.24Å; P48-T51 PolarHBondContact O-N 2.8Å; P48-T51 PolarHBondContact O-OG1 3.43Å; P48-F191 HydrophobicContact CB-CD1 4.39Å; P48-F191 HydrophobicContact CG-CB 4.26Å; P48-F191 HydrophobicContact CG-CD1 3.58Å; P48-F191 HydrophobicContact CG-CE1 4.15Å; P48-F191 HydrophobicContact CG-CG 4.03Å | ||
| 49 | L | 85.9 | Confident | 89.5 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -20.4 | -175.6 | -67.3 | -179.5 | 0 | 0 | 0 | 114 | I43 T51 S55 F58 | I43-L49 HydrophobicContact CG1-CD1 4.16Å; L49-T51 PolarHBondContact O-N 2.82Å; L49-S55 PolarHBondContact O-OG 2.95Å; L49-F58 HydrophobicContact CD2-CB 3.51Å; L49-F58 HydrophobicContact CD2-CD1 4.14Å; L49-F58 HydrophobicContact CD2-CD2 4.23Å; L49-F58 HydrophobicContact CD2-CG 3.71Å |
| 50 | D | 85.5 | Confident | 89.6 | Confident | 135 Ų | 135 | 55.9 Ų | 55.9 | 72% | 0.722 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24.9 | 175.5 | 63.3 | -28.1 | 0 | 0 | 0 | 112.4 | P48 | P48-D50 VanDerWaalsContact C-N 3.29Å; P48-D50 WeakPolarHBondContact CB-OD1 3.22Å; P48-D50 PolarHBondContact O-N 3.24Å |
| 51 | T | 89.6 | Confident | 89.7 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 20% | 0.202 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -79.9 | 142.8 | 171.1 | 73.1 | 0 | 0 | 0 | 0 | 111.6 | W47 P48 L49 G53 G54 S55 F191 | W47-T51 PolarHBondContact NE1-OG1 3.46Å; P48-T51 PolarHBondContact O-N 2.8Å; P48-T51 PolarHBondContact O-OG1 3.43Å; L49-T51 PolarHBondContact O-N 2.82Å; T51-G53 PolarHBondContact O-N 2.82Å; T51-G54 PolarHBondContact O-N 3.43Å; T51-G54 PolarHBondContact OG1-N 3.21Å; T51-G54 VanDerWaalsContact OG1-N 3.13Å; T51-S55 PolarHBondContact O-N 3.43Å; T51-F191 HydrophobicContact CG2-CE1 4.17Å; T51-F191 HydrophobicContact CG2-CZ 4.18Å |
| 52 | T | 90.8 | Very high | 90 | Very high | 111 Ų | 111 | 56 Ų | 56 | 68% | 0.681 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.8 | -40.6 | 176.3 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | I56 | T52-I56 HydrophobicContact CG2-CD1 3.99Å; T52-I56 VanDerWaalsContact O-CG1 3.28Å; T52-I56 WeakPolarHBondContact O-CG1 3.38Å; T52-I56 PolarHBondContact O-N 2.75Å |
| 53 | G | 89.9 | Confident | 90.3 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T51 I56 N57 | T51-G53 PolarHBondContact O-N 2.82Å; G53-I56 PolarHBondContact O-N 3.3Å; G53-N57 WeakPolarHBondContact O-CB 3.2Å; G53-N57 PolarHBondContact O-N 3.37Å |
| 54 | G | 90.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T51 N57 F58 | T51-G54 PolarHBondContact O-N 3.43Å; T51-G54 PolarHBondContact OG1-N 3.21Å; T51-G54 VanDerWaalsContact OG1-N 3.13Å; G54-N57 PolarHBondContact O-N 2.88Å; G54-F58 WeakPolarHBondContact O-CB 3.36Å; G54-F58 PolarHBondContact O-N 3.37Å |
| 55 | S | 92.9 | Very high | 91.1 | Very high | 47 Ų | 47 | 58 Ų | 58 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 172.6 | -86 | 0 | 0 | 0 | 0 | 112.7 | L49 T51 F58 I59 | L49-S55 PolarHBondContact O-OG 2.95Å; T51-S55 PolarHBondContact O-N 3.43Å; S55-F58 PolarHBondContact O-N 2.88Å; S55-I59 VanDerWaalsContact O-CG1 3.29Å; S55-I59 WeakPolarHBondContact O-CG1 3.47Å; S55-I59 PolarHBondContact O-N 2.91Å |
| 56 | I | 94.7 | Very high | 91.8 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 56% | 0.559 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 177.5 | -69.8 | 167 | 0 | 0 | 0 | 110.9 | T52 G53 F58 I59 M60 | T52-I56 HydrophobicContact CG2-CD1 3.99Å; T52-I56 VanDerWaalsContact O-CG1 3.28Å; T52-I56 WeakPolarHBondContact O-CG1 3.38Å; T52-I56 PolarHBondContact O-N 2.75Å; G53-I56 PolarHBondContact O-N 3.3Å; I56-F58 VanDerWaalsContact C-N 3.32Å; I56-F58 PolarHBondContact O-N 2.86Å; I56-I59 PolarHBondContact O-N 2.97Å; I56-M60 WeakPolarHBondContact O-CB 3.46Å; I56-M60 PolarHBondContact O-N 3.4Å |
| 57 | N | 93.9 | Very high | 92.6 | Very high | 16 Ų | 16 | 60.2 Ų | 60.2 | 9% | 0.086 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 177.6 | 176.4 | 68.9 | 0 | 0 | 0 | 111.7 | S42 G53 G54 M60 L61 H157 | S42-N57 PolarHBondContact OG-ND2 2.64Å; G53-N57 WeakPolarHBondContact O-CB 3.2Å; G53-N57 PolarHBondContact O-N 3.37Å; G54-N57 PolarHBondContact O-N 2.88Å; N57-M60 WeakPolarHBondContact O-CB 3.48Å; N57-M60 PolarHBondContact O-N 3.14Å; N57-L61 WeakPolarHBondContact O-CG 3.46Å; N57-L61 PolarHBondContact O-N 2.94Å; N57-H157 PolarHBondContact OD1-CE1 3.21Å; N57-H157 PolarHBondContact OD1-NE2 3.43Å |
| 58 | F | 94.7 | Very high | 93.4 | Very high | 42 Ų | 42 | 56 Ų | 56 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 180 | -172.3 | -107.2 | 0 | 0 | 0 | 112.8 | M39 I43 L49 G54 S55 I56 M60 L61 I62 | M39-F58 HydrophobicContact CB-CE2 3.98Å; M39-F58 HydrophobicContact CG-CE2 3.99Å; I43-F58 HydrophobicContact CD1-CD2 4.41Å; I43-F58 HydrophobicContact CD1-CE2 3.54Å; I43-F58 HydrophobicContact CD1-CZ 3.86Å; I43-F58 HydrophobicContact CG1-CD2 4.12Å; I43-F58 HydrophobicContact CG1-CE2 3.74Å; I43-F58 HydrophobicContact CG1-CZ 4.37Å; L49-F58 HydrophobicContact CD2-CB 3.51Å; L49-F58 HydrophobicContact CD2-CD1 4.14Å; L49-F58 HydrophobicContact CD2-CD2 4.23Å; L49-F58 HydrophobicContact CD2-CG 3.71Å; G54-F58 WeakPolarHBondContact O-CB 3.36Å; G54-F58 PolarHBondContact O-N 3.37Å; S55-F58 PolarHBondContact O-N 2.88Å; I56-F58 VanDerWaalsContact C-N 3.32Å; I56-F58 PolarHBondContact O-N 2.86Å; F58-M60 VanDerWaalsContact C-N 3.25Å; F58-M60 PolarHBondContact O-N 3.38Å; F58-L61 PolarHBondContact O-N 2.92Å; F58-I62 HydrophobicContact CD1-CD1 3.84Å; F58-I62 HydrophobicContact CE1-CD1 3.41Å; F58-I62 VanDerWaalsContact CE1-CD1 3.41Å; F58-I62 HydrophobicContact CE1-CG1 4.32Å; F58-I62 HydrophobicContact CZ-CD1 3.93Å; F58-I62 HydrophobicContact CZ-CG1 4.47Å; F58-I62 PolarHBondContact O-N 3.46Å |
| 59 | I | 95.9 | Very high | 94.3 | Very high | 113 Ų | 113 | 56.8 Ų | 56.8 | 58% | 0.579 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.9 | -41 | 174 | -68.9 | 165.7 | 0 | 0 | 0 | 110.4 | S55 I56 I62 N63 | S55-I59 VanDerWaalsContact O-CG1 3.29Å; S55-I59 WeakPolarHBondContact O-CG1 3.47Å; S55-I59 PolarHBondContact O-N 2.91Å; I56-I59 PolarHBondContact O-N 2.97Å; I59-I62 PolarHBondContact O-N 2.95Å; I59-N63 WeakPolarHBondContact O-CB 3.38Å; I59-N63 PolarHBondContact O-N 2.97Å |
| 60 | M | 96.5 | Very high | 94.8 | Very high | 73 Ų | 73 | 58.7 Ų | 58.7 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 177.5 | -165.8 | 71.5 | -170.3 | 0 | 0 | 112.2 | I56 N57 F58 I62 N63 W64 | I56-M60 WeakPolarHBondContact O-CB 3.46Å; I56-M60 PolarHBondContact O-N 3.4Å; N57-M60 WeakPolarHBondContact O-CB 3.48Å; N57-M60 PolarHBondContact O-N 3.14Å; F58-M60 VanDerWaalsContact C-N 3.25Å; F58-M60 PolarHBondContact O-N 3.38Å; M60-I62 PolarHBondContact O-N 3.04Å; M60-N63 WeakPolarHBondContact O-CB 3.34Å; M60-N63 PolarHBondContact O-N 3.47Å; M60-W64 HydrophobicContact CE-CD2 4.13Å; M60-W64 HydrophobicContact CE-CH2 3.82Å; M60-W64 HydrophobicContact CE-CZ2 3.19Å; M60-W64 HydrophobicContact CE-CZ3 4.5Å; M60-W64 VanDerWaalsContact O-CD1 3.23Å; M60-W64 PolarHBondContact O-N 3.31Å |
| 61 | L | 96.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.1 | -71.3 | 172.5 | 0 | 0 | 0 | 112.4 | A38 S42 N57 F58 T65 | A38-L61 HydrophobicContact CB-CD1 4.35Å; A38-L61 HydrophobicContact CB-CD2 4.16Å; S42-L61 WeakPolarHBondContact OG-CD1 3.44Å; N57-L61 WeakPolarHBondContact O-CG 3.46Å; N57-L61 PolarHBondContact O-N 2.94Å; F58-L61 PolarHBondContact O-N 2.92Å; L61-T65 PolarHBondContact O-N 2.88Å; L61-T65 VanDerWaalsContact O-N 3.12Å; L61-T65 PolarHBondContact O-OG1 3.42Å |
| 62 | I | 96.9 | Very high | 95.7 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 172.9 | -67.9 | 172 | 0 | 0 | 0 | 110 | M39 F58 I59 M60 W64 T65 V66 | M39-I62 HydrophobicContact CE-CG1 3.87Å; F58-I62 HydrophobicContact CD1-CD1 3.84Å; F58-I62 HydrophobicContact CE1-CD1 3.41Å; F58-I62 VanDerWaalsContact CE1-CD1 3.41Å; F58-I62 HydrophobicContact CE1-CG1 4.32Å; F58-I62 HydrophobicContact CZ-CD1 3.93Å; F58-I62 HydrophobicContact CZ-CG1 4.47Å; F58-I62 PolarHBondContact O-N 3.46Å; I59-I62 PolarHBondContact O-N 2.95Å; M60-I62 PolarHBondContact O-N 3.04Å; I62-W64 PolarHBondContact O-N 3.18Å; I62-T65 WeakPolarHBondContact O-CB 3.42Å; I62-T65 PolarHBondContact O-N 2.81Å; I62-T65 VanDerWaalsContact O-N 3.15Å; I62-V66 HydrophobicContact CG2-CG2 4.26Å; I62-V66 WeakPolarHBondContact O-CG2 3.46Å; I62-V66 PolarHBondContact O-N 3.37Å |
| 63 | N | 97.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | -179.4 | -173.9 | -95.4 | 0 | 0 | 0 | 111.8 | I59 M60 T65 V66 L67 | I59-N63 WeakPolarHBondContact O-CB 3.38Å; I59-N63 PolarHBondContact O-N 2.97Å; M60-N63 WeakPolarHBondContact O-CB 3.34Å; M60-N63 PolarHBondContact O-N 3.47Å; N63-T65 VanDerWaalsContact C-N 3.34Å; N63-T65 PolarHBondContact O-N 2.79Å; N63-V66 PolarHBondContact O-N 3.44Å; N63-L67 WeakPolarHBondContact O-CB 3.42Å; N63-L67 VanDerWaalsContact O-CG 3.31Å; N63-L67 WeakPolarHBondContact O-CG 3.21Å; N63-L67 PolarHBondContact O-N 2.96Å; N63-L67 WeakPolarHBondContact OD1-CD1 3.5Å |
| 64 | W | 97.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56 | -49.3 | 173.7 | -73.4 | 133.6 | 0 | 0 | 0 | 111.9 | M60 I62 V66 L67 I68 L150 L153 H157 | M60-W64 HydrophobicContact CE-CD2 4.13Å; M60-W64 HydrophobicContact CE-CH2 3.82Å; M60-W64 HydrophobicContact CE-CZ2 3.19Å; M60-W64 HydrophobicContact CE-CZ3 4.5Å; M60-W64 VanDerWaalsContact O-CD1 3.23Å; M60-W64 PolarHBondContact O-N 3.31Å; I62-W64 PolarHBondContact O-N 3.18Å; W64-V66 VanDerWaalsContact C-N 3.35Å; W64-V66 PolarHBondContact O-N 3.38Å; W64-L67 PolarHBondContact O-N 2.89Å; W64-I68 HydrophobicContact CB-CD1 4.4Å; W64-I68 WeakPolarHBondContact O-CB 3.29Å; W64-I68 WeakPolarHBondContact O-CD1 3.45Å; W64-I68 WeakPolarHBondContact O-CG1 3.4Å; W64-I68 PolarHBondContact O-N 2.85Å; W64-L150 HydrophobicContact CE3-CD2 4.1Å; W64-L150 HydrophobicContact CZ3-CD2 3.57Å; W64-L153 HydrophobicContact CH2-CB 4.07Å; W64-L153 HydrophobicContact CH2-CD1 4.18Å; W64-L153 HydrophobicContact CZ2-CB 4.31Å; W64-L153 HydrophobicContact CZ3-CB 4.34Å; W64-H157 AromaticContact CD1-ND1 3.54Å; W64-H157 AromaticContact NE1-ND1 3.26Å; W64-H157 PolarHBondContact NE1-ND1 3.22Å |
| 65 | T | 97.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | -178.6 | -56 | 0 | 0 | 0 | 0 | 111.3 | S35 M39 L61 I62 N63 I68 L69 | S35-T65 WeakPolarHBondContact CB-OG1 3.37Å; M39-T65 WeakPolarHBondContact CE-OG1 3.39Å; L61-T65 PolarHBondContact O-N 2.88Å; L61-T65 VanDerWaalsContact O-N 3.12Å; L61-T65 PolarHBondContact O-OG1 3.42Å; I62-T65 WeakPolarHBondContact O-CB 3.42Å; I62-T65 PolarHBondContact O-N 2.81Å; I62-T65 VanDerWaalsContact O-N 3.15Å; N63-T65 VanDerWaalsContact C-N 3.34Å; N63-T65 PolarHBondContact O-N 2.79Å; T65-I68 PolarHBondContact O-N 3.13Å; T65-L69 HydrophobicContact CG2-CD1 4.03Å; T65-L69 WeakPolarHBondContact O-CB 3.3Å; T65-L69 WeakPolarHBondContact O-CG 3.36Å; T65-L69 PolarHBondContact O-N 3.42Å |
| 66 | V | 98 | Very high | 96.4 | Very high | 86 Ų | 86 | 46.4 Ų | 46.4 | 52% | 0.521 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | I62 N63 W64 L69 Y70 | I62-V66 HydrophobicContact CG2-CG2 4.26Å; I62-V66 WeakPolarHBondContact O-CG2 3.46Å; I62-V66 PolarHBondContact O-N 3.37Å; N63-V66 PolarHBondContact O-N 3.44Å; W64-V66 VanDerWaalsContact C-N 3.35Å; W64-V66 PolarHBondContact O-N 3.38Å; V66-L69 PolarHBondContact O-N 3.09Å; V66-Y70 WeakPolarHBondContact O-CB 3.47Å; V66-Y70 PolarHBondContact O-N 3.26Å |
| 67 | L | 98 | Very high | 96.3 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 31% | 0.314 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.3 | -37.9 | -178.7 | -69.2 | 178.9 | 0 | 0 | 0 | 112.6 | N63 W64 N71 L150 | N63-L67 WeakPolarHBondContact O-CB 3.42Å; N63-L67 VanDerWaalsContact O-CG 3.31Å; N63-L67 WeakPolarHBondContact O-CG 3.21Å; N63-L67 PolarHBondContact O-N 2.96Å; N63-L67 WeakPolarHBondContact OD1-CD1 3.5Å; W64-L67 PolarHBondContact O-N 2.89Å; L67-N71 WeakPolarHBondContact O-CB 3.43Å; L67-N71 PolarHBondContact O-N 3.27Å; L67-N71 PolarHBondContact O-ND2 3.21Å; L67-L150 HydrophobicContact CB-CD1 3.99Å |
| 68 | I | 98.5 | Very high | 96.1 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -52 | 175.5 | -70.9 | 163.9 | 0 | 0 | 0 | 109.6 | I31 W64 T65 Y70 N71 Y72 F147 L150 A151 | I31-I68 HydrophobicContact CD1-CG2 3.85Å; I31-I68 HydrophobicContact CG1-CG2 4.09Å; I31-I68 HydrophobicContact CG2-CG2 4.44Å; W64-I68 HydrophobicContact CB-CD1 4.4Å; W64-I68 WeakPolarHBondContact O-CB 3.29Å; W64-I68 WeakPolarHBondContact O-CD1 3.45Å; W64-I68 WeakPolarHBondContact O-CG1 3.4Å; W64-I68 PolarHBondContact O-N 2.85Å; T65-I68 PolarHBondContact O-N 3.13Å; I68-Y70 PolarHBondContact O-N 2.97Å; I68-N71 PolarHBondContact O-N 2.96Å; I68-Y72 WeakPolarHBondContact O-CB 3.39Å; I68-Y72 PolarHBondContact O-N 2.89Å; I68-F147 HydrophobicContact CG2-CD2 4.07Å; I68-F147 HydrophobicContact CG2-CE2 4.04Å; I68-L150 HydrophobicContact CG1-CB 3.88Å; I68-A151 HydrophobicContact CG1-CB 4.49Å; I68-A151 HydrophobicContact CG2-CB 4.4Å |
| 69 | L | 97.9 | Very high | 95.8 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 179.5 | -71.8 | 173.2 | 0 | 0 | 0 | 111.6 | L28 I31 T65 V66 N71 Y72 F73 | L28-L69 HydrophobicContact CD2-CD2 3.92Å; I31-L69 HydrophobicContact CD1-CD2 4.42Å; I31-L69 HydrophobicContact CG2-CD2 3.94Å; I31-L69 HydrophobicContact CG2-CG 4.26Å; T65-L69 HydrophobicContact CG2-CD1 4.03Å; T65-L69 WeakPolarHBondContact O-CB 3.3Å; T65-L69 WeakPolarHBondContact O-CG 3.36Å; T65-L69 PolarHBondContact O-N 3.42Å; V66-L69 PolarHBondContact O-N 3.09Å; L69-N71 PolarHBondContact O-N 3Å; L69-Y72 PolarHBondContact O-N 3.34Å; L69-F73 HydrophobicContact CB-CD2 4.23Å; L69-F73 HydrophobicContact CB-CE2 4.17Å; L69-F73 HydrophobicContact CD2-CE2 3.97Å; L69-F73 WeakPolarHBondContact O-CB 3.45Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 PolarHBondContact O-N 3.42Å |
| 70 | Y | 96.6 | Very high | 95.7 | Very high | 107 Ų | 107 | 37.4 Ų | 37.4 | 42% | 0.42 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.4 | -51.8 | 176.5 | 174.3 | -95.9 | 0 | 0 | 0 | 111.5 | V66 I68 N74 Y143 | V66-Y70 WeakPolarHBondContact O-CB 3.47Å; V66-Y70 PolarHBondContact O-N 3.26Å; I68-Y70 PolarHBondContact O-N 2.97Å; Y70-N74 VanDerWaalsContact CD2-ND2 3.35Å; Y70-N74 WeakPolarHBondContact CD2-ND2 3.43Å; Y70-N74 VanDerWaalsContact CE1-ND2 3.33Å; Y70-N74 WeakPolarHBondContact CE1-ND2 3.36Å; Y70-N74 WeakPolarHBondContact CE2-ND2 3.01Å; Y70-N74 WeakPolarHBondContact O-CB 3.47Å; Y70-N74 PolarHBondContact O-N 3.24Å; Y70-N74 PolarHBondContact O-ND2 2.78Å; Y70-Y143 HydrophobicContact CE1-CD1 4.49Å; Y70-Y143 HydrophobicContact CE1-CE1 4.12Å |
| 71 | N | 96.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 8% | 0.075 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.6 | -36.1 | -179.3 | -77.1 | -78.5 | 0 | 0 | 0 | 112.1 | L67 I68 L69 A75 S146 F147 L150 | L67-N71 WeakPolarHBondContact O-CB 3.43Å; L67-N71 PolarHBondContact O-N 3.27Å; L67-N71 PolarHBondContact O-ND2 3.21Å; I68-N71 PolarHBondContact O-N 2.96Å; L69-N71 PolarHBondContact O-N 3Å; N71-A75 VanDerWaalsContact O-CB 3.24Å; N71-A75 WeakPolarHBondContact O-CB 3.13Å; N71-A75 PolarHBondContact O-N 3.46Å; N71-S146 WeakPolarHBondContact OD1-CB 3.15Å; N71-F147 HydrophobicContact CB-CB 3.98Å; N71-L150 VanDerWaalsContact ND2-CD1 3.27Å; N71-L150 WeakPolarHBondContact ND2-CD1 3.48Å |
| 72 | Y | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -49.1 | 176.4 | -179.8 | -100 | 0 | 0 | 0 | 112.1 | P24 A27 L28 I68 L69 A75 M76 W131 I132 F147 | P24-Y72 WeakPolarHBondContact CA-OH 3.37Å; P24-Y72 VanDerWaalsContact CB-OH 3.3Å; P24-Y72 WeakPolarHBondContact CB-OH 3.33Å; A27-Y72 HydrophobicContact CB-CE2 3.96Å; L28-Y72 HydrophobicContact CD1-CE1 4.33Å; L28-Y72 HydrophobicContact CD2-CD1 3.83Å; L28-Y72 HydrophobicContact CD2-CE1 3.63Å; L28-Y72 HydrophobicContact CG-CE1 3.85Å; I68-Y72 WeakPolarHBondContact O-CB 3.39Å; I68-Y72 PolarHBondContact O-N 2.89Å; L69-Y72 PolarHBondContact O-N 3.34Å; Y72-A75 WeakPolarHBondContact O-CB 3.43Å; Y72-A75 PolarHBondContact O-N 3.15Å; Y72-M76 HydrophobicContact CD1-CE 4.37Å; Y72-M76 HydrophobicContact CE1-CE 3.42Å; Y72-M76 VanDerWaalsContact CE1-CE 3.42Å; Y72-M76 PolarHBondContact O-N 3.2Å; Y72-M76 WeakPolarHBondContact OH-CE 3.38Å; Y72-W131 PolarHBondContact OH-O 2.74Å; Y72-I132 HydrophobicContact CD2-CG2 4.16Å; Y72-I132 HydrophobicContact CE2-CG2 3.74Å; Y72-F147 HydrophobicContact CD2-CD1 4.39Å; Y72-F147 HydrophobicContact CD2-CD2 4.06Å; Y72-F147 HydrophobicContact CD2-CE1 4.13Å; Y72-F147 AromaticContact CD2-CE2 3.77Å; Y72-F147 HydrophobicContact CD2-CE2 3.77Å; Y72-F147 HydrophobicContact CD2-CG 4.36Å; Y72-F147 AromaticContact CD2-CZ 3.81Å; Y72-F147 HydrophobicContact CD2-CZ 3.81Å; Y72-F147 HydrophobicContact CE2-CZ 4.38Å; Y72-F147 HydrophobicContact CG-CD2 4.43Å; Y72-F147 HydrophobicContact CG-CE2 4.35Å |
| 73 | F | 95.7 | Very high | 95.6 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69.1 | -38.3 | 178.4 | -73.1 | -54.7 | 0 | 0 | 0 | 112.6 | L19 L28 L69 A75 M76 F77 | L19-F73 HydrophobicContact CD2-CE1 3.99Å; L28-F73 HydrophobicContact CD1-CE1 4.39Å; L28-F73 HydrophobicContact CD1-CZ 4.48Å; L28-F73 HydrophobicContact CD2-CE1 4.25Å; L28-F73 HydrophobicContact CD2-CZ 3.88Å; L69-F73 HydrophobicContact CB-CD2 4.23Å; L69-F73 HydrophobicContact CB-CE2 4.17Å; L69-F73 HydrophobicContact CD2-CE2 3.97Å; L69-F73 WeakPolarHBondContact O-CB 3.45Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 PolarHBondContact O-N 3.42Å; F73-A75 VanDerWaalsContact C-N 3.33Å; F73-A75 PolarHBondContact O-N 2.98Å; F73-M76 PolarHBondContact O-N 2.82Å; F73-M76 VanDerWaalsContact O-N 3.17Å; F73-F77 HydrophobicContact CB-CD2 4.01Å; F73-F77 HydrophobicContact CB-CE2 4.18Å; F73-F77 HydrophobicContact CD1-CD2 4.08Å; F73-F77 AromaticContact CD1-CE2 3.4Å; F73-F77 HydrophobicContact CD1-CE2 3.4Å; F73-F77 VanDerWaalsContact CD1-CE2 3.4Å; F73-F77 HydrophobicContact CD1-CZ 4.21Å; F73-F77 HydrophobicContact CE1-CE2 4.12Å; F73-F77 HydrophobicContact CG-CD2 4.46Å; F73-F77 HydrophobicContact CG-CE2 4.12Å; F73-F77 WeakPolarHBondContact O-CB 3.46Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 PolarHBondContact O-N 3.27Å |
| 74 | N | 93.8 | Very high | 95.5 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 172.7 | -78.7 | -59.3 | 0 | 0 | 0 | 111.7 | Y70 M76 V78 Y143 | Y70-N74 VanDerWaalsContact CD2-ND2 3.35Å; Y70-N74 WeakPolarHBondContact CD2-ND2 3.43Å; Y70-N74 VanDerWaalsContact CE1-ND2 3.33Å; Y70-N74 WeakPolarHBondContact CE1-ND2 3.36Å; Y70-N74 WeakPolarHBondContact CE2-ND2 3.01Å; Y70-N74 WeakPolarHBondContact O-CB 3.47Å; Y70-N74 PolarHBondContact O-N 3.24Å; Y70-N74 PolarHBondContact O-ND2 2.78Å; N74-M76 PolarHBondContact O-N 2.91Å; N74-V78 HydrophobicContact CB-CG2 4.14Å; N74-V78 VanDerWaalsContact O-CB 3.25Å; N74-V78 WeakPolarHBondContact O-CB 3.33Å; N74-V78 PolarHBondContact O-N 2.84Å; N74-V78 VanDerWaalsContact O-N 3.14Å; N74-V78 WeakPolarHBondContact OD1-CG2 3.29Å; N74-Y143 HydrophobicContact CB-CD1 3.58Å; N74-Y143 HydrophobicContact CB-CD2 3.79Å; N74-Y143 HydrophobicContact CB-CE1 3.94Å; N74-Y143 HydrophobicContact CB-CE2 4.15Å; N74-Y143 HydrophobicContact CB-CG 3.5Å; N74-Y143 VanDerWaalsContact CB-CG 3.5Å |
| 75 | A | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N71 Y72 F73 I132 N140 F144 | N71-A75 VanDerWaalsContact O-CB 3.24Å; N71-A75 WeakPolarHBondContact O-CB 3.13Å; N71-A75 PolarHBondContact O-N 3.46Å; Y72-A75 WeakPolarHBondContact O-CB 3.43Å; Y72-A75 PolarHBondContact O-N 3.15Å; F73-A75 VanDerWaalsContact C-N 3.33Å; F73-A75 PolarHBondContact O-N 2.98Å; A75-I132 HydrophobicContact CB-CG2 4.42Å; A75-N140 PolarHBondContact O-ND2 2.83Å; A75-F144 HydrophobicContact CB-CB 4.11Å |
| 76 | M | 94.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -78.4 | -49 | 179.9 | -178.4 | -179.2 | -55.9 | 0 | 0 | 114 | R18 L19 P24 Y72 F73 N74 I132 N134 | R18-M76 HydrophobicContact CB-SD 4.35Å; R18-M76 PolarHBondContact NH1-O 2.79Å; R18-M76 VanDerWaalsContact NH1-O 3.07Å; L19-M76 HydrophobicContact CD2-CE 3.92Å; L19-M76 HydrophobicContact CD2-SD 3.56Å; L19-M76 VanDerWaalsContact CD2-SD 3.56Å; L19-M76 HydrophobicContact CG-SD 4.22Å; P24-M76 HydrophobicContact CB-CE 3.87Å; P24-M76 HydrophobicContact CG-CE 3.82Å; Y72-M76 HydrophobicContact CD1-CE 4.37Å; Y72-M76 HydrophobicContact CE1-CE 3.42Å; Y72-M76 VanDerWaalsContact CE1-CE 3.42Å; Y72-M76 PolarHBondContact O-N 3.2Å; Y72-M76 WeakPolarHBondContact OH-CE 3.38Å; F73-M76 PolarHBondContact O-N 2.82Å; F73-M76 VanDerWaalsContact O-N 3.17Å; N74-M76 PolarHBondContact O-N 2.91Å; M76-I132 HydrophobicContact CB-CB 4.39Å; M76-I132 WeakPolarHBondContact CG-O 3.49Å; M76-N134 PolarHBondContact O-ND2 3.49Å |
| 77 | F | 92 | Very high | 95.3 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -96.4 | -41.5 | -165.6 | -63.4 | -51.2 | 0 | 0 | 0 | 113.9 | V8 F10 L19 F73 G79 | V8-F77 HydrophobicContact CG1-CB 3.85Å; V8-F77 HydrophobicContact CG1-CD2 4.3Å; V8-F77 HydrophobicContact CG1-CG 4.18Å; F10-F77 AromaticContact CE1-CD1 3.95Å; F10-F77 HydrophobicContact CE1-CD1 3.95Å; F10-F77 HydrophobicContact CE1-CD2 4.15Å; F10-F77 AromaticContact CE1-CE1 3.79Å; F10-F77 HydrophobicContact CE1-CE1 3.79Å; F10-F77 AromaticContact CE1-CE2 3.97Å; F10-F77 HydrophobicContact CE1-CE2 3.97Å; F10-F77 HydrophobicContact CE1-CG 4.15Å; F10-F77 AromaticContact CE1-CZ 3.8Å; F10-F77 HydrophobicContact CE1-CZ 3.8Å; F10-F77 HydrophobicContact CZ-CD2 4.41Å; F10-F77 HydrophobicContact CZ-CE2 4.11Å; F10-F77 HydrophobicContact CZ-CZ 4.27Å; L19-F77 HydrophobicContact CD1-CZ 4.14Å; L19-F77 HydrophobicContact CD2-CZ 4.1Å; L19-F77 HydrophobicContact CG-CZ 4.1Å; F73-F77 HydrophobicContact CB-CD2 4.01Å; F73-F77 HydrophobicContact CB-CE2 4.18Å; F73-F77 HydrophobicContact CD1-CD2 4.08Å; F73-F77 AromaticContact CD1-CE2 3.4Å; F73-F77 HydrophobicContact CD1-CE2 3.4Å; F73-F77 VanDerWaalsContact CD1-CE2 3.4Å; F73-F77 HydrophobicContact CD1-CZ 4.21Å; F73-F77 HydrophobicContact CE1-CE2 4.12Å; F73-F77 HydrophobicContact CG-CD2 4.46Å; F73-F77 HydrophobicContact CG-CE2 4.12Å; F73-F77 WeakPolarHBondContact O-CB 3.46Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 PolarHBondContact O-N 3.27Å; F77-G79 PolarHBondContact O-N 2.88Å |
| 78 | V | 90.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 39.8 Ų | 39.8 | 42% | 0.418 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -37.7 | 169.6 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | N74 L139 Y143 | N74-V78 HydrophobicContact CB-CG2 4.14Å; N74-V78 VanDerWaalsContact O-CB 3.25Å; N74-V78 WeakPolarHBondContact O-CB 3.33Å; N74-V78 PolarHBondContact O-N 2.84Å; N74-V78 VanDerWaalsContact O-N 3.14Å; N74-V78 WeakPolarHBondContact OD1-CG2 3.29Å; V78-L139 HydrophobicContact CG1-CB 4.4Å; V78-Y143 HydrophobicContact CG2-CE2 4.34Å |
| 79 | G | 88.6 | Confident | 95 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | 68.9 | -176.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | F77 G81 N134 L139 N140 | F77-G79 PolarHBondContact O-N 2.88Å; G79-G81 VanDerWaalsContact C-N 3.34Å; G79-G81 PolarHBondContact O-N 3.41Å; G79-N134 WeakPolarHBondContact CA-ND2 3.49Å; G79-L139 WeakPolarHBondContact O-CB 3.37Å; G79-N140 VanDerWaalsContact C-ND2 3.33Å; G79-N140 WeakPolarHBondContact O-CB 3.49Å; G79-N140 VanDerWaalsContact O-CG 3.27Å; G79-N140 PolarHBondContact O-N 3.39Å | ||
| 80 | P | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -82 | -11.3 | -165.9 | 34.8 | -41.1 | 0 | 0 | 0 | 115 | Y82 V122 C135 G137 H138 L139 N140 | P80-Y82 HydrophobicContact CG-CD1 4.44Å; P80-Y82 HydrophobicContact CG-CE1 3.86Å; P80-V122 HydrophobicContact CB-CG1 3.47Å; P80-V122 VanDerWaalsContact CB-CG1 3.47Å; P80-V122 HydrophobicContact CG-CG1 3.71Å; P80-V122 HydrophobicContact CG-CG2 4.2Å; P80-C135 HydrophobicContact CB-CB 4.05Å; P80-C135 WeakPolarHBondContact CB-O 3.31Å; P80-C135 HydrophobicContact CG-CB 3.76Å; P80-G137 CarbonylContact O-C 3.54Å; P80-H138 PolarHBondContact O-N 3.28Å; P80-L139 PolarHBondContact O-N 3.5Å; P80-N140 VanDerWaalsContact CA-OD1 3.32Å; P80-N140 WeakPolarHBondContact CA-OD1 3.36Å |
| 81 | G | 94.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | trans | 79.5 | 127.3 | -162.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G79 M123 | G79-G81 VanDerWaalsContact C-N 3.34Å; G79-G81 PolarHBondContact O-N 3.41Å; G81-M123 PolarHBondContact O-N 3Å | ||
| 82 | Y | 95.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -113 | 141.8 | -180 | -59.6 | -69.2 | 0 | 0 | 0 | 110.6 | P80 C118 R120 C121 V122 M123 N134 | P80-Y82 HydrophobicContact CG-CD1 4.44Å; P80-Y82 HydrophobicContact CG-CE1 3.86Å; Y82-C118 HydrophobicContact CE1-CB 4.23Å; Y82-R120 HydrophobicContact CD1-CB 3.49Å; Y82-R120 VanDerWaalsContact CD1-CB 3.49Å; Y82-R120 HydrophobicContact CD1-CG 4.21Å; Y82-R120 HydrophobicContact CE1-CB 3.85Å; Y82-R120 HydrophobicContact CE1-CG 4.46Å; Y82-R120 HydrophobicContact CG-CB 4.19Å; Y82-C121 WeakPolarHBondContact CA-O 3.16Å; Y82-V122 HydrophobicContact CD1-CG2 3.85Å; Y82-V122 HydrophobicContact CE1-CG2 3.74Å; Y82-M123 WeakPolarHBondContact O-CE 3.23Å; Y82-N134 PolarHBondContact OH-OD1 3.02Å; Y82-N134 VanDerWaalsContact OH-OD1 3.1Å |
| 83 | I | 97.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 138 | 168.7 | -58.8 | -62.8 | 0 | 0 | 0 | 108.6 | W87 A109 R120 C121 M123 I286 | I83-W87 HydrophobicContact CG2-CB 3.47Å; I83-W87 VanDerWaalsContact CG2-CB 3.47Å; I83-W87 HydrophobicContact CG2-CD2 4.21Å; I83-W87 HydrophobicContact CG2-CG 3.75Å; I83-A109 HydrophobicContact CD1-CB 3.62Å; I83-A109 HydrophobicContact CG1-CB 4.41Å; I83-R120 PolarHBondContact O-NH2 3.41Å; I83-C121 HydrophobicContact CB-CB 3.93Å; I83-C121 HydrophobicContact CG1-CB 4.11Å; I83-C121 PolarHBondContact N-O 2.59Å; I83-M123 HydrophobicContact CD1-CE 4.01Å; I83-M123 HydrophobicContact CD1-CG 3.47Å; I83-M123 VanDerWaalsContact CD1-CG 3.47Å; I83-M123 HydrophobicContact CG1-CG 4.13Å; I83-I286 HydrophobicContact CD1-CG1 4.18Å |
| 84 | P | 95.8 | Very high | 93.9 | Very high | 68 Ų | 68 | 58 Ų | 58 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 143.4 | 172.7 | -27 | 35.3 | 0 | 0 | 0 | 111.8 | W87 | P84-W87 HydrophobicContact CB-CB 4.36Å; P84-W87 VanDerWaalsContact O-CB 3.28Å; P84-W87 WeakPolarHBondContact O-CB 3.41Å; P84-W87 PolarHBondContact O-N 3.19Å |
| 85 | L | 95.8 | Very high | 93.9 | Very high | 112 Ų | 112 | 58.1 Ų | 58.1 | 59% | 0.586 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 140.6 | 173.9 | -67.5 | 174.3 | 0 | 0 | 0 | 109.2 | W87 C104 | L85-W87 PolarHBondContact O-N 3.09Å; L85-C104 HydrophobicContact CD2-CB 4.06Å |
| 86 | G | 96.2 | Very high | 93.9 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 12.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K88 C104 Q105 | G86-K88 PolarHBondContact O-N 3.31Å; G86-C104 PolarHBondContact N-O 3.36Å; G86-Q105 WeakPolarHBondContact CA-O 3.44Å |
| 87 | W | 97 | Very high | 93.9 | Very high | 42 Ų | 42 | 66 Ų | 66 | 16% | 0.159 | 33% | 0.333 | C | S | . | . | trans | -56 | 138.1 | -177.9 | -177.6 | 88 | 0 | 0 | 0 | 112.2 | I83 P84 L85 P89 L98 G106 Y107 A109 I286 | I83-W87 HydrophobicContact CG2-CB 3.47Å; I83-W87 VanDerWaalsContact CG2-CB 3.47Å; I83-W87 HydrophobicContact CG2-CD2 4.21Å; I83-W87 HydrophobicContact CG2-CG 3.75Å; P84-W87 HydrophobicContact CB-CB 4.36Å; P84-W87 VanDerWaalsContact O-CB 3.28Å; P84-W87 WeakPolarHBondContact O-CB 3.41Å; P84-W87 PolarHBondContact O-N 3.19Å; L85-W87 PolarHBondContact O-N 3.09Å; W87-P89 HydrophobicContact CH2-CB 4.17Å; W87-L98 HydrophobicContact CH2-CD1 4.13Å; W87-L98 HydrophobicContact CZ3-CD1 3.9Å; W87-G106 CarbonylContact O-C 3.59Å; W87-G106 WeakPolarHBondContact O-CA 3.36Å; W87-Y107 PolarHBondContact O-N 3.1Å; W87-A109 HydrophobicContact CE3-CB 4.33Å; W87-A109 HydrophobicContact CH2-CB 3.91Å; W87-A109 HydrophobicContact CZ2-CB 4.24Å; W87-A109 HydrophobicContact CZ3-CB 3.96Å; W87-I286 HydrophobicContact CH2-CG2 4.33Å; W87-I286 HydrophobicContact CZ2-CG2 3.6Å | ||
| 88 | K | 96.4 | Very high | 94.1 | Very high | 151 Ų | 151 | 65.6 Ų | 65.6 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | trans | -131.3 | 148.8 | 177.8 | -67.1 | 177.9 | -175.6 | 178.6 | 0 | 108.7 | G86 Y107 | G86-K88 PolarHBondContact O-N 3.31Å; K88-Y107 HydrophobicContact CG-CD2 4.33Å | ||
| 89 | P | 94.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 63 Ų | 63 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | trans | -63.4 | 149.2 | 173.1 | 29.4 | -35.2 | 0 | 0 | 0 | 110.5 | W87 N91 D94 A95 L98 | W87-P89 HydrophobicContact CH2-CB 4.17Å; P89-N91 VanDerWaalsContact C-N 3.33Å; P89-N91 WeakPolarHBondContact CB-O 3.26Å; P89-N91 WeakPolarHBondContact CG-O 3.15Å; P89-D94 HydrophobicContact CB-CB 4.03Å; P89-D94 HydrophobicContact CG-CB 4.36Å; P89-A95 HydrophobicContact CG-CB 4.09Å; P89-L98 HydrophobicContact CB-CD1 4.06Å; P89-L98 HydrophobicContact CG-CD1 4.09Å | ||
| 90 | E | 91.4 | Very high | 94.7 | Very high | 205 Ų | 205 | 67.9 Ų | 67.9 | 96% | 0.958 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -59.9 | -45.3 | 176.4 | -66.6 | -178.6 | 173.4 | 0 | 0 | 111.1 | ||
| 91 | N | 92.6 | Very high | 94.8 | Very high | 88 Ų | 88 | 68.2 Ų | 68.2 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -90.1 | 117.6 | 169.7 | -173.2 | -13.8 | 0 | 0 | 0 | 110.1 | P89 H93 D94 | P89-N91 VanDerWaalsContact C-N 3.33Å; P89-N91 WeakPolarHBondContact CB-O 3.26Å; P89-N91 WeakPolarHBondContact CG-O 3.15Å; N91-H93 PolarHBondContact O-N 3.27Å; N91-H93 VanDerWaalsContact OD1-CB 3.3Å; N91-H93 WeakPolarHBondContact OD1-CB 3.46Å; N91-H93 PolarHBondContact OD1-N 3.23Å; N91-D94 WeakPolarHBondContact O-CB 3.22Å; N91-D94 PolarHBondContact O-N 3.15Å |
| 92 | Q | 91.6 | Very high | 94.9 | Very high | 169 Ų | 169 | 77.7 Ų | 77.7 | 79% | 0.79 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -61.4 | -27.2 | 180 | -66 | -174 | 4.5 | 0 | 0 | 113.1 | D94 A95 | Q92-D94 PolarHBondContact O-N 2.62Å; Q92-A95 WeakPolarHBondContact O-CB 3.35Å; Q92-A95 PolarHBondContact O-N 3.19Å |
| 93 | H | 92.6 | Very high | 94.9 | Very high | 110 Ų | 110 | 78.5 Ų | 78.5 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -62.3 | -29.3 | 176.6 | -174.8 | -94.1 | 0 | 0 | 0 | 112.2 | N91 A95 Q96 Y97 | N91-H93 PolarHBondContact O-N 3.27Å; N91-H93 VanDerWaalsContact OD1-CB 3.3Å; N91-H93 WeakPolarHBondContact OD1-CB 3.46Å; N91-H93 PolarHBondContact OD1-N 3.23Å; H93-A95 PolarHBondContact O-N 3.4Å; H93-Q96 PolarHBondContact CD2-NE2 2.97Å; H93-Q96 VanDerWaalsContact CD2-NE2 3.3Å; H93-Q96 PolarHBondContact CE1-NE2 2.85Å; H93-Q96 PolarHBondContact ND1-NE2 2.88Å; H93-Q96 PolarHBondContact NE2-NE2 3.31Å; H93-Q96 WeakPolarHBondContact O-CG 3.3Å; H93-Q96 PolarHBondContact O-N 3.1Å; H93-Q96 PolarHBondContact O-NE2 2.96Å; H93-Y97 PolarHBondContact CE1-OH 2.83Å |
| 94 | D | 93.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 78.8 Ų | 78.8 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -71 | -17 | -179.6 | -65.1 | -21.5 | 0 | 0 | 0 | 112.8 | P89 N91 Q92 Q96 Y97 L98 H297 | P89-D94 HydrophobicContact CB-CB 4.03Å; P89-D94 HydrophobicContact CG-CB 4.36Å; N91-D94 WeakPolarHBondContact O-CB 3.22Å; N91-D94 PolarHBondContact O-N 3.15Å; Q92-D94 PolarHBondContact O-N 2.62Å; D94-Q96 PolarHBondContact O-N 3.41Å; D94-Q96 VanDerWaalsContact O-N 3.12Å; D94-Y97 PolarHBondContact O-N 3.27Å; D94-L98 WeakPolarHBondContact O-CG 3.34Å; D94-H297 IonicContact OD2-NE2 3.37Å |
| 95 | A | 93.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 81.4 Ų | 81.4 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -56.9 | -29.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P89 Q92 H93 Y97 L98 Y107 | P89-A95 HydrophobicContact CG-CB 4.09Å; Q92-A95 WeakPolarHBondContact O-CB 3.35Å; Q92-A95 PolarHBondContact O-N 3.19Å; H93-A95 PolarHBondContact O-N 3.4Å; A95-Y97 PolarHBondContact O-N 2.96Å; A95-L98 PolarHBondContact O-N 3.14Å; A95-Y107 HydrophobicContact CB-CE1 3.92Å; A95-Y107 HydrophobicContact CB-CE2 4.12Å; A95-Y107 WeakPolarHBondContact O-CE1 3.38Å |
| 96 | Q | 94.1 | Very high | 95 | Very high | 107 Ų | 107 | 76.2 Ų | 76.2 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -65.8 | -25 | 177.6 | 80.7 | -171.6 | -80.7 | 0 | 0 | 113 | H93 D94 L304 | H93-Q96 PolarHBondContact CD2-NE2 2.97Å; H93-Q96 VanDerWaalsContact CD2-NE2 3.3Å; H93-Q96 PolarHBondContact CE1-NE2 2.85Å; H93-Q96 PolarHBondContact ND1-NE2 2.88Å; H93-Q96 PolarHBondContact NE2-NE2 3.31Å; H93-Q96 WeakPolarHBondContact O-CG 3.3Å; H93-Q96 PolarHBondContact O-N 3.1Å; H93-Q96 PolarHBondContact O-NE2 2.96Å; D94-Q96 PolarHBondContact O-N 3.41Å; D94-Q96 VanDerWaalsContact O-N 3.12Å; Q96-L304 WeakPolarHBondContact O-CD1 3.27Å |
| 97 | Y | 94.9 | Very high | 95 | Very high | 59 Ų | 59 | 77.6 Ų | 77.6 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -94.1 | 0.8 | -179.7 | -49.4 | -57.2 | 0 | 0 | 0 | 112.9 | H93 D94 A95 H297 T300 M301 | H93-Y97 PolarHBondContact CE1-OH 2.83Å; D94-Y97 PolarHBondContact O-N 3.27Å; A95-Y97 PolarHBondContact O-N 2.96Å; Y97-H297 HydrophobicContact CD2-CB 4.39Å; Y97-H297 HydrophobicContact CG-CB 4.19Å; Y97-T300 WeakPolarHBondContact O-CB 3.4Å; Y97-T300 PolarHBondContact O-OG1 2.66Å; Y97-M301 HydrophobicContact CD1-CE 4.15Å; Y97-M301 HydrophobicContact CD1-CG 3.67Å; Y97-M301 HydrophobicContact CD1-SD 3.69Å; Y97-M301 HydrophobicContact CE1-CE 4.15Å; Y97-M301 HydrophobicContact CE1-SD 4.05Å; Y97-M301 HydrophobicContact CG-CG 4.11Å; Y97-M301 HydrophobicContact CG-SD 4.28Å |
| 98 | L | 95.4 | Very high | 95 | Very high | 9 Ų | 9 | 77.2 Ų | 77.2 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -115.6 | 151.8 | -173.8 | -62 | 178.4 | 0 | 0 | 0 | 111.6 | W87 P89 D94 A95 Y107 P110 H297 T300 | W87-L98 HydrophobicContact CH2-CD1 4.13Å; W87-L98 HydrophobicContact CZ3-CD1 3.9Å; P89-L98 HydrophobicContact CB-CD1 4.06Å; P89-L98 HydrophobicContact CG-CD1 4.09Å; D94-L98 WeakPolarHBondContact O-CG 3.34Å; A95-L98 PolarHBondContact O-N 3.14Å; L98-Y107 HydrophobicContact CB-CD1 3.76Å; L98-Y107 HydrophobicContact CB-CG 4.35Å; L98-P110 HydrophobicContact CD2-CG 4.48Å; L98-H297 WeakPolarHBondContact CD2-ND1 3.36Å; L98-T300 HydrophobicContact CD2-CG2 4.25Å |
| 99 | Q | 95.3 | Very high | 95 | Very high | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.6 | 176.4 | -63.2 | 172 | 30.2 | 0 | 0 | 110.3 | K108 Q303 L304 | Q99-K108 HydrophobicContact CB-CD 4.17Å; Q99-K108 PolarHBondContact O-N 3.02Å; Q99-Q303 VanDerWaalsContact NE2-CB 3.28Å; Q99-L304 HydrophobicContact CG-CD2 3.78Å; Q99-L304 HydrophobicContact CG-CG 4.39Å |
| 100 | Y | 95.7 | Very high | 95.1 | Very high | 107 Ų | 107 | 69.6 Ų | 69.6 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 136.6 | 172.6 | -164.2 | -101.3 | 0 | 0 | 0 | 112.1 | R102 Q105 Y107 | Y100-R102 HydrophobicContact CD1-CG 4.33Å; Y100-Q105 WeakPolarHBondContact OH-CA 3.37Å; Y100-Q105 PolarHBondContact OH-O 3.08Å; Y100-Q105 PolarHBondContact OH-OE1 2.91Å; Y100-Y107 HydrophobicContact CD2-CD1 4.2Å; Y100-Y107 HydrophobicContact CD2-CD2 4.15Å; Y100-Y107 HydrophobicContact CD2-CE1 4.1Å; Y100-Y107 HydrophobicContact CD2-CE2 4.02Å; Y100-Y107 HydrophobicContact CD2-CG 4.23Å; Y100-Y107 AromaticContact CD2-CZ 4Å; Y100-Y107 HydrophobicContact CE2-CE2 4.35Å |
| 101 | C | 97.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 109.6 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | V103 C104 Q105 G106 K108 H114 C121 | C101-V103 VanDerWaalsContact C-N 3.33Å; C101-V103 PolarHBondContact O-N 3.3Å; C101-C104 HydrophobicContact CB-CB 4.25Å; C101-C104 PolarHBondContact O-N 3.41Å; C101-Q105 WeakPolarHBondContact O-CA 3.21Å; C101-Q105 PolarHBondContact O-N 3.16Å; C101-G106 WeakPolarHBondContact CB-O 3.5Å; C101-G106 PolarHBondContact N-O 3.1Å; C101-G106 PolarHBondContact O-N 3.22Å; C101-K108 HydrophobicContact CB-CG 4.18Å; C101-H114 PolarHBondContact SG-ND1 3.25Å; C101-C121 VanDerWaalsContact SG-SG 3.63Å |
| 102 | R | 96.5 | Very high | 95.6 | Very high | 207 Ų | 207 | 56.2 Ų | 56.2 | 78% | 0.781 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -40 | 178.4 | -63 | -178.3 | -178.3 | -180 | -2.5 | 112.7 | Y100 Q105 | Y100-R102 HydrophobicContact CD1-CG 4.33Å; R102-Q105 PolarHBondContact O-N 3.19Å; R102-Q105 PolarHBondContact O-NE2 3.49Å |
| 103 | V | 95.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -42.4 | -177.7 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | C101 Q105 N119 | C101-V103 VanDerWaalsContact C-N 3.33Å; C101-V103 PolarHBondContact O-N 3.3Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-N119 WeakPolarHBondContact CG1-OD1 3.17Å |
| 104 | C | 96.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.1 | 179 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | L85 G86 C101 G106 H114 C121 | L85-C104 HydrophobicContact CD2-CB 4.06Å; G86-C104 PolarHBondContact N-O 3.36Å; C101-C104 HydrophobicContact CB-CB 4.25Å; C101-C104 PolarHBondContact O-N 3.41Å; C104-G106 PolarHBondContact O-N 3.07Å; C104-G106 VanDerWaalsContact O-N 3.12Å; C104-H114 PolarHBondContact SG-ND1 3.41Å; C104-H114 VanDerWaalsContact SG-ND1 3.44Å; C104-C121 PolarHBondContact SG-N 3.42Å; C104-C121 VanDerWaalsContact SG-N 3.43Å; C104-C121 VanDerWaalsContact SG-SG 3.69Å |
| 105 | Q | 97.3 | Very high | 96.3 | Very high | 123 Ų | 123 | 44.1 Ų | 44.1 | 58% | 0.575 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 31.5 | -177.6 | -60.8 | -67.5 | -16.9 | 0 | 0 | 114.3 | G86 Y100 C101 R102 V103 | G86-Q105 WeakPolarHBondContact CA-O 3.44Å; Y100-Q105 WeakPolarHBondContact OH-CA 3.37Å; Y100-Q105 PolarHBondContact OH-O 3.08Å; Y100-Q105 PolarHBondContact OH-OE1 2.91Å; C101-Q105 WeakPolarHBondContact O-CA 3.21Å; C101-Q105 PolarHBondContact O-N 3.16Å; R102-Q105 PolarHBondContact O-N 3.19Å; R102-Q105 PolarHBondContact O-NE2 3.49Å; V103-Q105 VanDerWaalsContact C-N 3.32Å |
| 106 | G | 96.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 172.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | W87 C101 C104 | W87-G106 CarbonylContact O-C 3.59Å; W87-G106 WeakPolarHBondContact O-CA 3.36Å; C101-G106 WeakPolarHBondContact CB-O 3.5Å; C101-G106 PolarHBondContact N-O 3.1Å; C101-G106 PolarHBondContact O-N 3.22Å; C104-G106 PolarHBondContact O-N 3.07Å; C104-G106 VanDerWaalsContact O-N 3.12Å |
| 107 | Y | 97.3 | Very high | 96.3 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 150.1 | 175.3 | -69.6 | -88.1 | 0 | 0 | 0 | 111.1 | W87 K88 A95 L98 Y100 | W87-Y107 PolarHBondContact O-N 3.1Å; K88-Y107 HydrophobicContact CG-CD2 4.33Å; A95-Y107 HydrophobicContact CB-CE1 3.92Å; A95-Y107 HydrophobicContact CB-CE2 4.12Å; A95-Y107 WeakPolarHBondContact O-CE1 3.38Å; L98-Y107 HydrophobicContact CB-CD1 3.76Å; L98-Y107 HydrophobicContact CB-CG 4.35Å; Y100-Y107 HydrophobicContact CD2-CD1 4.2Å; Y100-Y107 HydrophobicContact CD2-CD2 4.15Å; Y100-Y107 HydrophobicContact CD2-CE1 4.1Å; Y100-Y107 HydrophobicContact CD2-CE2 4.02Å; Y100-Y107 HydrophobicContact CD2-CG 4.23Å; Y100-Y107 AromaticContact CD2-CZ 4Å; Y100-Y107 HydrophobicContact CE2-CE2 4.35Å |
| 108 | K | 96.9 | Very high | 96.2 | Very high | 33 Ų | 33 | 53.9 Ų | 53.9 | 14% | 0.143 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 112.9 | 168.4 | -62.9 | -178.2 | -169.7 | 174.7 | 0 | 107.9 | Q99 C101 S112 | Q99-K108 HydrophobicContact CB-CD 4.17Å; Q99-K108 PolarHBondContact O-N 3.02Å; C101-K108 HydrophobicContact CB-CG 4.18Å; K108-S112 VanDerWaalsContact C-OG 3.28Å; K108-S112 WeakPolarHBondContact CA-OG 3.38Å; K108-S112 WeakPolarHBondContact CB-OG 3.25Å |
| 109 | A | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | trans | -55.4 | 158.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I83 W87 R111 S112 I286 | I83-A109 HydrophobicContact CD1-CB 3.62Å; I83-A109 HydrophobicContact CG1-CB 4.41Å; W87-A109 HydrophobicContact CE3-CB 4.33Å; W87-A109 HydrophobicContact CH2-CB 3.91Å; W87-A109 HydrophobicContact CZ2-CB 4.24Å; W87-A109 HydrophobicContact CZ3-CB 3.96Å; A109-R111 PolarHBondContact O-N 3.44Å; A109-S112 PolarHBondContact N-OG 3.3Å; A109-S112 VanDerWaalsContact O-CB 3.29Å; A109-S112 WeakPolarHBondContact O-CB 3.36Å; A109-S112 PolarHBondContact O-N 2.98Å; A109-S112 PolarHBondContact O-OG 3.3Å; A109-I286 HydrophobicContact CB-CB 4.5Å; A109-I286 HydrophobicContact CB-CG1 4.4Å; A109-I286 HydrophobicContact CB-CG2 4.04Å | ||
| 110 | P | 96.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 136.5 | 174.1 | -28.1 | 35.9 | 0 | 0 | 0 | 112.5 | L98 S112 W288 | L98-P110 HydrophobicContact CD2-CG 4.48Å; P110-S112 PolarHBondContact O-N 2.96Å; P110-S112 VanDerWaalsContact O-N 3.1Å; P110-W288 PolarHBondContact O-NE1 3.07Å; P110-W288 VanDerWaalsContact O-NE1 3.14Å |
| 111 | R | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 2% | 0.023 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 0.5 | -175.5 | -44.8 | -175.5 | 72.4 | 169.7 | 7.7 | 116 | A109 H113 K124 M125 N233 E238 Y262 W288 | A109-R111 PolarHBondContact O-N 3.44Å; R111-H113 PolarHBondContact O-CD2 3Å; R111-K124 HydrophobicContact CB-CB 4.48Å; R111-K124 VanDerWaalsContact O-CA 3.22Å; R111-K124 WeakPolarHBondContact O-CA 3.3Å; R111-K124 PolarHBondContact O-N 2.89Å; R111-M125 PolarHBondContact O-N 3.34Å; R111-N233 PolarHBondContact NH1-OD1 2.99Å; R111-N233 VanDerWaalsContact NH1-OD1 3.12Å; R111-N233 PolarHBondContact NH2-O 2.83Å; R111-N233 PolarHBondContact NH2-OD1 2.84Å; R111-E238 WeakPolarHBondContact CB-OE1 3.45Å; R111-E238 WeakPolarHBondContact CG-OE1 3.39Å; R111-E238 IonicContact CZ-OE1 2.74Å; R111-E238 IonicContact CZ-OE2 3.32Å; R111-E238 IonicContact NE-OE1 2.62Å; R111-E238 PolarHBondContact NE-OE1 3.22Å; R111-E238 IonicContact NE-OE2 3.53Å; R111-E238 IonicContact NH2-OE1 2.89Å; R111-E238 PolarHBondContact NH2-OE1 2.97Å; R111-E238 IonicContact NH2-OE2 2.61Å; R111-E238 PolarHBondContact NH2-OE2 2.91Å; R111-Y262 HydrophobicContact CG-CD2 4.08Å; R111-Y262 HydrophobicContact CG-CE1 3.98Å; R111-Y262 HydrophobicContact CG-CE2 3.4Å; R111-Y262 VanDerWaalsContact CG-CE2 3.4Å; R111-Y262 WeakPolarHBondContact CG-OH 3.47Å; R111-W288 HydrophobicContact CB-CZ2 4.38Å; R111-W288 HydrophobicContact CG-CD2 4.46Å; R111-W288 HydrophobicContact CG-CG 4.36Å |
| 112 | S | 97.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.035 | 25% | 0.25 | C | C | . | . | trans | -88.8 | 144.6 | 178.7 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | K108 A109 P110 V122 | K108-S112 VanDerWaalsContact C-OG 3.28Å; K108-S112 WeakPolarHBondContact CA-OG 3.38Å; K108-S112 WeakPolarHBondContact CB-OG 3.25Å; A109-S112 PolarHBondContact N-OG 3.3Å; A109-S112 VanDerWaalsContact O-CB 3.29Å; A109-S112 WeakPolarHBondContact O-CB 3.36Å; A109-S112 PolarHBondContact O-N 2.98Å; A109-S112 PolarHBondContact O-OG 3.3Å; P110-S112 PolarHBondContact O-N 2.96Å; P110-S112 VanDerWaalsContact O-N 3.1Å; S112-V122 WeakPolarHBondContact CA-O 3.49Å; S112-V122 VanDerWaalsContact CB-O 3.26Å; S112-V122 WeakPolarHBondContact CB-O 3.37Å | ||
| 113 | H | 97.6 | Very high | 96.4 | Very high | 23 Ų | 23 | 47 Ų | 47 | 11% | 0.106 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.3 | 178.1 | -64 | -97.2 | 0 | 0 | 0 | 111.2 | R111 C115 C121 V122 M125 I237 Q303 | R111-H113 PolarHBondContact O-CD2 3Å; H113-C115 PolarHBondContact O-N 2.83Å; H113-C121 CarbonylContact O-C 3.5Å; H113-C121 WeakPolarHBondContact O-CA 3.39Å; H113-V122 PolarHBondContact N-O 3.19Å; H113-V122 VanDerWaalsContact N-O 3.1Å; H113-V122 PolarHBondContact O-N 3.34Å; H113-M125 HydrophobicContact CB-CB 3.86Å; H113-M125 HydrophobicContact CB-CG 4.28Å; H113-M125 HydrophobicContact CB-SD 3.62Å; H113-I237 HydrophobicContact CB-CD1 4.13Å; H113-I237 WeakPolarHBondContact CE1-CG2 3.14Å; H113-Q303 PolarHBondContact CE1-NE2 3.41Å |
| 114 | H | 97.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 18% | 0.181 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118 | 176.2 | -176.5 | 88.9 | 0 | 0 | 0 | 109.8 | C101 C104 | C101-H114 PolarHBondContact SG-ND1 3.25Å; C104-H114 PolarHBondContact SG-ND1 3.41Å; C104-H114 VanDerWaalsContact SG-ND1 3.44Å |
| 115 | C | 97.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.9 | 171.7 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | H113 K117 C118 N119 R120 V122 M125 C135 | H113-C115 PolarHBondContact O-N 2.83Å; C115-K117 VanDerWaalsContact C-N 3.33Å; C115-K117 PolarHBondContact O-N 3.34Å; C115-C118 HydrophobicContact CB-CB 4.04Å; C115-C118 PolarHBondContact O-N 3.36Å; C115-C118 PolarHBondContact SG-N 3.03Å; C115-C118 VanDerWaalsContact SG-N 3.42Å; C115-C118 VanDerWaalsContact SG-SG 3.69Å; C115-N119 WeakPolarHBondContact O-CA 3.31Å; C115-N119 PolarHBondContact O-N 3.17Å; C115-R120 PolarHBondContact N-O 3.34Å; C115-R120 PolarHBondContact O-N 3.07Å; C115-V122 HydrophobicContact CB-CG2 4.17Å; C115-M125 HydrophobicContact CB-CE 3.74Å; C115-M125 HydrophobicContact CB-SD 3.91Å; C115-C135 VanDerWaalsContact CB-SG 3.57Å; C115-C135 PolarHBondContact SG-SG 2.69Å |
| 116 | R | 94.4 | Very high | 96.5 | Very high | 209 Ų | 209 | 38 Ų | 38 | 79% | 0.789 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -38.6 | 178.1 | -65.8 | -179.1 | -176.7 | 159.5 | 2 | 112.7 | N119 | R116-N119 PolarHBondContact O-N 3.28Š|
| 117 | K | 92.5 | Very high | 96.5 | Very high | 153 Ų | 153 | 40.2 Ų | 40.2 | 67% | 0.665 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -39.1 | -179.7 | -67.1 | -177.5 | 173.8 | -171.5 | 0 | 112.2 | C115 N119 H128 | C115-K117 VanDerWaalsContact C-N 3.33Å; C115-K117 PolarHBondContact O-N 3.34Å; K117-N119 VanDerWaalsContact C-N 3.33Å; K117-H128 VanDerWaalsContact CB-CE1 3.5Å; K117-H128 WeakPolarHBondContact CB-CE1 3.25Å; K117-H128 HydrophobicContact CD-CB 4.47Å; K117-H128 WeakPolarHBondContact CD-CD2 3.45Å; K117-H128 WeakPolarHBondContact CD-NE2 3.14Å |
| 118 | C | 92.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -9 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 113 | Y82 C115 R120 H128 C135 | Y82-C118 HydrophobicContact CE1-CB 4.23Å; C115-C118 HydrophobicContact CB-CB 4.04Å; C115-C118 PolarHBondContact O-N 3.36Å; C115-C118 PolarHBondContact SG-N 3.03Å; C115-C118 VanDerWaalsContact SG-N 3.42Å; C115-C118 VanDerWaalsContact SG-SG 3.69Å; C118-R120 WeakPolarHBondContact O-CG 3.26Å; C118-R120 PolarHBondContact O-N 3.03Å; C118-R120 VanDerWaalsContact O-N 3.13Å; C118-H128 PolarHBondContact SG-ND1 3Å; C118-C135 VanDerWaalsContact SG-SG 3.6Å |
| 119 | N | 95 | Very high | 96.4 | Very high | 99 Ų | 99 | 37.5 Ų | 37.5 | 53% | 0.529 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 31.4 | -174.2 | -158.2 | 34.6 | 0 | 0 | 0 | 114.9 | V103 C115 R116 K117 | V103-N119 WeakPolarHBondContact CG1-OD1 3.17Å; C115-N119 WeakPolarHBondContact O-CA 3.31Å; C115-N119 PolarHBondContact O-N 3.17Å; R116-N119 PolarHBondContact O-N 3.28Å; K117-N119 VanDerWaalsContact C-N 3.33Å |
| 120 | R | 96.1 | Very high | 96.4 | Very high | 78 Ų | 78 | 39.1 Ų | 39.1 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.9 | -174.3 | -70 | -68.4 | -68.9 | -96 | -1.4 | 111.5 | Y82 I83 C115 C118 | Y82-R120 HydrophobicContact CD1-CB 3.49Å; Y82-R120 VanDerWaalsContact CD1-CB 3.49Å; Y82-R120 HydrophobicContact CD1-CG 4.21Å; Y82-R120 HydrophobicContact CE1-CB 3.85Å; Y82-R120 HydrophobicContact CE1-CG 4.46Å; Y82-R120 HydrophobicContact CG-CB 4.19Å; I83-R120 PolarHBondContact O-NH2 3.41Å; C115-R120 PolarHBondContact N-O 3.34Å; C115-R120 PolarHBondContact O-N 3.07Å; C118-R120 WeakPolarHBondContact O-CG 3.26Å; C118-R120 PolarHBondContact O-N 3.03Å; C118-R120 VanDerWaalsContact O-N 3.13Å |
| 121 | C | 98.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.4 | 165.8 | -71.9 | 0 | 0 | 0 | 0 | 109.8 | Y82 I83 C101 C104 H113 | Y82-C121 WeakPolarHBondContact CA-O 3.16Å; I83-C121 HydrophobicContact CB-CB 3.93Å; I83-C121 HydrophobicContact CG1-CB 4.11Å; I83-C121 PolarHBondContact N-O 2.59Å; C101-C121 VanDerWaalsContact SG-SG 3.63Å; C104-C121 PolarHBondContact SG-N 3.42Å; C104-C121 VanDerWaalsContact SG-N 3.43Å; C104-C121 VanDerWaalsContact SG-SG 3.69Å; H113-C121 CarbonylContact O-C 3.5Å; H113-C121 WeakPolarHBondContact O-CA 3.39Å |
| 122 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.4 | -175.7 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | P80 Y82 S112 H113 C115 M125 C135 | P80-V122 HydrophobicContact CB-CG1 3.47Å; P80-V122 VanDerWaalsContact CB-CG1 3.47Å; P80-V122 HydrophobicContact CG-CG1 3.71Å; P80-V122 HydrophobicContact CG-CG2 4.2Å; Y82-V122 HydrophobicContact CD1-CG2 3.85Å; Y82-V122 HydrophobicContact CE1-CG2 3.74Å; S112-V122 WeakPolarHBondContact CA-O 3.49Å; S112-V122 VanDerWaalsContact CB-O 3.26Å; S112-V122 WeakPolarHBondContact CB-O 3.37Å; H113-V122 PolarHBondContact N-O 3.19Å; H113-V122 VanDerWaalsContact N-O 3.1Å; H113-V122 PolarHBondContact O-N 3.34Å; C115-V122 HydrophobicContact CB-CG2 4.17Å; V122-M125 HydrophobicContact CB-CB 3.89Å; V122-M125 HydrophobicContact CB-CG 4.05Å; V122-M125 HydrophobicContact CB-SD 4.24Å; V122-M125 HydrophobicContact CG1-CB 3.86Å; V122-M125 HydrophobicContact CG1-CG 4.08Å; V122-C135 HydrophobicContact CG1-CB 4.15Å; V122-C135 HydrophobicContact CG2-CB 3.95Å |
| 123 | M | 97.5 | Very high | 96.2 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 134.4 | 174.8 | -68.2 | 167 | 174.4 | 0 | 0 | 110.5 | G81 Y82 I83 M125 G137 H138 I286 | G81-M123 PolarHBondContact O-N 3Å; Y82-M123 WeakPolarHBondContact O-CE 3.23Å; I83-M123 HydrophobicContact CD1-CE 4.01Å; I83-M123 HydrophobicContact CD1-CG 3.47Å; I83-M123 VanDerWaalsContact CD1-CG 3.47Å; I83-M123 HydrophobicContact CG1-CG 4.13Å; M123-M125 PolarHBondContact O-N 3.4Å; M123-M125 VanDerWaalsContact O-N 3.11Å; M123-G137 WeakPolarHBondContact O-CA 3.32Å; M123-H138 HydrophobicContact CB-CB 3.81Å; M123-H138 PolarHBondContact O-N 3.46Å; M123-I286 HydrophobicContact CE-CG1 4.32Å |
| 124 | K | 97.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.2 | 48.5 | -179.3 | -164.4 | -174.9 | 172.7 | -179.2 | 0 | 112.3 | R111 D126 G137 H138 T235 W288 | R111-K124 HydrophobicContact CB-CB 4.48Å; R111-K124 VanDerWaalsContact O-CA 3.22Å; R111-K124 WeakPolarHBondContact O-CA 3.3Å; R111-K124 PolarHBondContact O-N 2.89Å; K124-D126 PolarHBondContact O-N 3.22Å; K124-G137 WeakPolarHBondContact O-CA 3.43Å; K124-H138 HydrophobicContact CB-CB 3.97Å; K124-T235 HydrophobicContact CG-CG2 3.93Å; K124-W288 HydrophobicContact CB-CH2 3.67Å; K124-W288 HydrophobicContact CB-CZ2 3.85Å; K124-W288 HydrophobicContact CD-CH2 3.75Å; K124-W288 HydrophobicContact CD-CZ3 3.95Å; K124-W288 HydrophobicContact CG-CH2 4.09Å; K124-W288 HydrophobicContact CG-CZ2 4.44Å |
| 125 | M | 97.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 9% | 0.089 | 19% | 0.191 | C | C | . | . | trans | -61.4 | 123.8 | -172.7 | -175.2 | 177.2 | 165.3 | 0 | 0 | 110.1 | R111 H113 C115 V122 M123 T235 I237 | R111-M125 PolarHBondContact O-N 3.34Å; H113-M125 HydrophobicContact CB-CB 3.86Å; H113-M125 HydrophobicContact CB-CG 4.28Å; H113-M125 HydrophobicContact CB-SD 3.62Å; C115-M125 HydrophobicContact CB-CE 3.74Å; C115-M125 HydrophobicContact CB-SD 3.91Å; V122-M125 HydrophobicContact CB-CB 3.89Å; V122-M125 HydrophobicContact CB-CG 4.05Å; V122-M125 HydrophobicContact CB-SD 4.24Å; V122-M125 HydrophobicContact CG1-CB 3.86Å; V122-M125 HydrophobicContact CG1-CG 4.08Å; M123-M125 PolarHBondContact O-N 3.4Å; M123-M125 VanDerWaalsContact O-N 3.11Å; M125-T235 PolarHBondContact O-OG1 3.05Å; M125-I237 HydrophobicContact CB-CD1 4.23Å; M125-I237 HydrophobicContact CE-CD1 4.43Å; M125-I237 HydrophobicContact CG-CD1 4Å; M125-I237 WeakPolarHBondContact O-CD1 3.3Å; M125-I237 HydrophobicContact SD-CD1 4.23Å | ||
| 126 | D | 96.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | trans | -91.5 | -70.1 | 169.3 | -171.7 | 53.2 | 0 | 0 | 0 | 109.8 | K124 C136 Q226 T235 S236 I237 | K124-D126 PolarHBondContact O-N 3.22Å; D126-C136 PolarHBondContact N-O 2.96Å; D126-Q226 PolarHBondContact OD2-NE2 2.94Å; D126-T235 HydrophobicContact CB-CG2 4.46Å; D126-T235 WeakPolarHBondContact OD1-CA 3.39Å; D126-T235 WeakPolarHBondContact OD1-CB 3.34Å; D126-S236 PolarHBondContact O-OG 3.17Å; D126-S236 WeakPolarHBondContact OD1-CB 3.37Å; D126-S236 PolarHBondContact OD1-N 3.01Å; D126-S236 PolarHBondContact OD1-OG 3.36Å; D126-I237 WeakPolarHBondContact O-CD1 3.46Å; D126-I237 WeakPolarHBondContact O-CG1 3.38Å | ||
| 127 | H | 95.7 | Very high | 96.2 | Very high | 50 Ų | 50 | 32.2 Ų | 32.2 | 23% | 0.231 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 168.2 | 178.2 | 64 | -76.4 | 0 | 0 | 0 | 111.3 | C129 C135 C136 F144 Q226 | H127-C129 WeakPolarHBondContact NE2-CB 3.49Å; H127-C135 WeakPolarHBondContact O-CA 3.41Å; H127-C136 PolarHBondContact O-N 3.19Å; H127-F144 AromaticContact CE1-CE1 3.71Å; H127-F144 AromaticContact CE1-CZ 3.95Å; H127-F144 AromaticContact NE2-CZ 3.87Å; H127-Q226 PolarHBondContact CE1-NE2 3.45Å |
| 128 | H | 96.5 | Very high | 96.4 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 16% | 0.162 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.4 | 163.8 | -176.1 | 93.4 | 0 | 0 | 0 | 108.8 | K117 C118 | K117-H128 VanDerWaalsContact CB-CE1 3.5Å; K117-H128 WeakPolarHBondContact CB-CE1 3.25Å; K117-H128 HydrophobicContact CD-CB 4.47Å; K117-H128 WeakPolarHBondContact CD-CD2 3.45Å; K117-H128 WeakPolarHBondContact CD-NE2 3.14Å; C118-H128 PolarHBondContact SG-ND1 3Å |
| 129 | C | 96.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.2 | -175.7 | -177.2 | 0 | 0 | 0 | 0 | 110 | H127 W131 I132 N133 N134 | H127-C129 WeakPolarHBondContact NE2-CB 3.49Å; C129-W131 PolarHBondContact O-N 3.04Å; C129-I132 HydrophobicContact CB-CD1 4.16Å; C129-I132 HydrophobicContact CB-CG1 3.67Å; C129-I132 PolarHBondContact O-N 2.65Å; C129-N133 PolarHBondContact O-N 3.02Å; C129-N133 VanDerWaalsContact O-N 3.1Å; C129-N134 PolarHBondContact N-O 3.15Å; C129-N134 PolarHBondContact O-N 2.87Å |
| 130 | P | 95.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 22.3 Ų | 22.3 | 23% | 0.227 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -65.3 | -27.6 | 178.4 | 26.4 | -33.1 | 0 | 0 | 0 | 112.5 | H21 W22 G23 P24 I132 N133 | H21-P130 PolarHBondContact CE1-O 2.95Å; H21-P130 PolarHBondContact ND1-O 3.29Å; H21-P130 VanDerWaalsContact ND1-O 3.17Å; W22-P130 HydrophobicContact CH2-CB 3.87Å; W22-P130 HydrophobicContact CH2-CG 4.07Å; W22-P130 HydrophobicContact CZ2-CB 3.63Å; W22-P130 HydrophobicContact CZ2-CG 4.21Å; G23-P130 WeakPolarHBondContact CA-O 3.2Å; P24-P130 WeakPolarHBondContact CD-O 3.31Å; P130-I132 VanDerWaalsContact C-N 3.35Å; P130-I132 PolarHBondContact O-N 3.33Å; P130-N133 PolarHBondContact O-N 3.01Å; P130-N133 VanDerWaalsContact O-N 3.15Å |
| 131 | W | 96.5 | Very high | 96.6 | Very high | 108 Ų | 108 | 18.8 Ų | 18.8 | 41% | 0.409 | 9% | 0.09 | S | C | . | . | G | 310 helix | trans | -69.5 | -26.6 | -177.3 | -57.9 | 107.6 | 0 | 0 | 0 | 114.4 | W22 P24 I26 Y72 C129 | W22-W131 HydrophobicContact CZ3-CE3 4.27Å; W22-W131 AromaticContact CZ3-CH2 3.94Å; W22-W131 HydrophobicContact CZ3-CH2 3.94Å; W22-W131 HydrophobicContact CZ3-CZ2 4.27Å; W22-W131 AromaticContact CZ3-CZ3 3.94Å; W22-W131 HydrophobicContact CZ3-CZ3 3.94Å; P24-W131 WeakPolarHBondContact CG-O 3.32Å; I26-W131 HydrophobicContact CB-CZ3 4.11Å; I26-W131 HydrophobicContact CG2-CZ3 3.79Å; Y72-W131 PolarHBondContact OH-O 2.74Å; C129-W131 PolarHBondContact O-N 3.04Å |
| 132 | I | 95.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -107.3 | 2.3 | 170.8 | 59.3 | 165.5 | 0 | 0 | 0 | 111.7 | Y72 A75 M76 C129 P130 N134 F144 | Y72-I132 HydrophobicContact CD2-CG2 4.16Å; Y72-I132 HydrophobicContact CE2-CG2 3.74Å; A75-I132 HydrophobicContact CB-CG2 4.42Å; M76-I132 HydrophobicContact CB-CB 4.39Å; M76-I132 WeakPolarHBondContact CG-O 3.49Å; C129-I132 HydrophobicContact CB-CD1 4.16Å; C129-I132 HydrophobicContact CB-CG1 3.67Å; C129-I132 PolarHBondContact O-N 2.65Å; P130-I132 VanDerWaalsContact C-N 3.35Å; P130-I132 PolarHBondContact O-N 3.33Å; I132-N134 HydrophobicContact CD1-CB 4.23Å; I132-N134 HydrophobicContact CG1-CB 4.31Å; I132-N134 PolarHBondContact O-N 3.46Å; I132-F144 HydrophobicContact CD1-CD2 4.31Å |
| 133 | N | 95.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 21.2 Ų | 21.2 | 21% | 0.209 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.7 | 42.2 | -173.1 | -168 | 23.3 | 0 | 0 | 0 | 113.4 | R18 H21 P24 C129 P130 | R18-N133 WeakPolarHBondContact CA-ND2 3.33Å; R18-N133 HydrophobicContact CB-CB 4.27Å; R18-N133 PolarHBondContact O-ND2 2.82Å; H21-N133 HydrophobicContact CB-CB 3.88Å; H21-N133 WeakPolarHBondContact CB-ND2 3.26Å; P24-N133 HydrophobicContact CG-CB 3.88Å; C129-N133 PolarHBondContact O-N 3.02Å; C129-N133 VanDerWaalsContact O-N 3.1Å; P130-N133 PolarHBondContact O-N 3.01Å; P130-N133 VanDerWaalsContact O-N 3.15Å |
| 134 | N | 95.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 168 | -179.3 | -155.9 | -2.3 | 0 | 0 | 0 | 110.1 | R18 M76 G79 Y82 C129 I132 | R18-N134 PolarHBondContact NH1-ND2 2.92Å; M76-N134 PolarHBondContact O-ND2 3.49Å; G79-N134 WeakPolarHBondContact CA-ND2 3.49Å; Y82-N134 PolarHBondContact OH-OD1 3.02Å; Y82-N134 VanDerWaalsContact OH-OD1 3.1Å; C129-N134 PolarHBondContact N-O 3.15Å; C129-N134 PolarHBondContact O-N 2.87Å; I132-N134 HydrophobicContact CD1-CB 4.23Å; I132-N134 HydrophobicContact CG1-CB 4.31Å; I132-N134 PolarHBondContact O-N 3.46Å |
| 135 | C | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 146.1 | 170.7 | -90.7 | 0 | 0 | 0 | 0 | 111.7 | P80 C115 C118 V122 H127 N140 | P80-C135 HydrophobicContact CB-CB 4.05Å; P80-C135 WeakPolarHBondContact CB-O 3.31Å; P80-C135 HydrophobicContact CG-CB 3.76Å; C115-C135 VanDerWaalsContact CB-SG 3.57Å; C115-C135 PolarHBondContact SG-SG 2.69Å; C118-C135 VanDerWaalsContact SG-SG 3.6Å; V122-C135 HydrophobicContact CG1-CB 4.15Å; V122-C135 HydrophobicContact CG2-CB 3.95Å; H127-C135 WeakPolarHBondContact O-CA 3.41Å; C135-N140 PolarHBondContact O-ND2 3.35Å |
| 136 | C | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.4 | 161.6 | -173.5 | 0 | 0 | 0 | 0 | 108 | D126 H127 N140 F144 | D126-C136 PolarHBondContact N-O 2.96Å; H127-C136 PolarHBondContact O-N 3.19Å; C136-N140 WeakPolarHBondContact CA-OD1 3.2Å; C136-F144 HydrophobicContact CB-CD1 4.43Å |
| 137 | G | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -159 | -158.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P80 M123 K124 L139 N140 H141 | P80-G137 CarbonylContact O-C 3.54Å; M123-G137 WeakPolarHBondContact O-CA 3.32Å; K124-G137 WeakPolarHBondContact O-CA 3.43Å; G137-L139 PolarHBondContact O-N 3.38Å; G137-N140 PolarHBondContact N-OD1 2.7Å; G137-N140 PolarHBondContact O-OD1 2.88Å; G137-H141 VanDerWaalsContact O-CB 3.26Å; G137-H141 WeakPolarHBondContact O-CB 3.43Å; G137-H141 PolarHBondContact O-N 3.21Å | ||
| 138 | H | 96.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -56.6 | -171 | -174.8 | 49.3 | 0 | 0 | 0 | 114 | P80 M123 K124 P281 K282 G283 G285 W288 | P80-H138 PolarHBondContact O-N 3.28Å; M123-H138 HydrophobicContact CB-CB 3.81Å; M123-H138 PolarHBondContact O-N 3.46Å; K124-H138 HydrophobicContact CB-CB 3.97Å; H138-P281 WeakPolarHBondContact O-CG 3.15Å; H138-K282 PolarHBondContact CE1-O 3.02Å; H138-G283 PolarHBondContact NE2-O 2.91Å; H138-G285 VanDerWaalsContact CD2-CA 3.46Å; H138-G285 WeakPolarHBondContact CD2-CA 3.32Å; H138-G285 PolarHBondContact NE2-N 3.48Å; H138-W288 HydrophobicContact CB-CH2 4.3Å; H138-W288 AromaticContact CE1-CH2 3.69Å; H138-W288 AromaticContact CE1-CZ3 3.69Å; H138-W288 AromaticContact CG-CH2 3.79Å; H138-W288 AromaticContact ND1-CH2 3.33Å; H138-W288 VanDerWaalsContact ND1-CH2 3.33Å; H138-W288 WeakPolarHBondContact ND1-CH2 3.46Å; H138-W288 AromaticContact ND1-CZ3 3.63Å |
| 139 | L | 95.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 21.3 Ų | 21.3 | 35% | 0.351 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -26.1 | -168 | -61.4 | -175.9 | 0 | 0 | 0 | 114.7 | V78 G79 P80 G137 P281 | V78-L139 HydrophobicContact CG1-CB 4.4Å; G79-L139 WeakPolarHBondContact O-CB 3.37Å; P80-L139 PolarHBondContact O-N 3.5Å; G137-L139 PolarHBondContact O-N 3.38Å; L139-P281 HydrophobicContact CD2-CG 3.97Å |
| 140 | N | 95.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 1.1 | -178.1 | 65.8 | -5.3 | 0 | 0 | 0 | 115.2 | A75 G79 P80 C135 C136 G137 A142 Y143 F144 | A75-N140 PolarHBondContact O-ND2 2.83Å; G79-N140 VanDerWaalsContact C-ND2 3.33Å; G79-N140 WeakPolarHBondContact O-CB 3.49Å; G79-N140 VanDerWaalsContact O-CG 3.27Å; G79-N140 PolarHBondContact O-N 3.39Å; P80-N140 VanDerWaalsContact CA-OD1 3.32Å; P80-N140 WeakPolarHBondContact CA-OD1 3.36Å; C135-N140 PolarHBondContact O-ND2 3.35Å; C136-N140 WeakPolarHBondContact CA-OD1 3.2Å; G137-N140 PolarHBondContact N-OD1 2.7Å; G137-N140 PolarHBondContact O-OD1 2.88Å; N140-A142 VanDerWaalsContact C-N 3.3Å; N140-A142 PolarHBondContact O-N 3.14Å; N140-Y143 PolarHBondContact O-N 3.01Å; N140-F144 WeakPolarHBondContact O-CB 3.49Å; N140-F144 PolarHBondContact O-N 2.99Å |
| 141 | H | 95.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.4 | -46.9 | -177.4 | -151.1 | 146.9 | 0 | 0 | 0 | 111.6 | G137 F144 T145 V274 | G137-H141 VanDerWaalsContact O-CB 3.26Å; G137-H141 WeakPolarHBondContact O-CB 3.43Å; G137-H141 PolarHBondContact O-N 3.21Å; H141-F144 PolarHBondContact O-N 3.02Å; H141-T145 PolarHBondContact CD2-OG1 3.17Å; H141-T145 PolarHBondContact O-N 3.49Å; H141-T145 PolarHBondContact O-OG1 2.81Å; H141-T145 VanDerWaalsContact O-OG1 3.06Å; H141-V274 HydrophobicContact CB-CG1 3.98Å |
| 142 | A | 95.7 | Very high | 96.9 | Very high | 14 Ų | 14 | 16.3 Ų | 16.3 | 12% | 0.116 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | N140 F144 T145 S146 V274 F275 | N140-A142 VanDerWaalsContact C-N 3.3Å; N140-A142 PolarHBondContact O-N 3.14Å; A142-F144 VanDerWaalsContact C-N 3.35Å; A142-F144 PolarHBondContact O-N 3.28Å; A142-T145 PolarHBondContact O-N 3.28Å; A142-S146 WeakPolarHBondContact O-CB 3.44Å; A142-S146 PolarHBondContact O-N 3.34Å; A142-S146 PolarHBondContact O-OG 3.06Å; A142-V274 HydrophobicContact CB-CG1 4Å; A142-F275 HydrophobicContact CB-CD1 4.18Å; A142-F275 HydrophobicContact CB-CE1 4.18Å |
| 143 | Y | 96.5 | Very high | 97.1 | Very high | 40 Ų | 40 | 20 Ų | 20 | 16% | 0.157 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 176.5 | -63.1 | -60.9 | 0 | 0 | 0 | 111.9 | Y70 N74 V78 N140 S146 F147 | Y70-Y143 HydrophobicContact CE1-CD1 4.49Å; Y70-Y143 HydrophobicContact CE1-CE1 4.12Å; N74-Y143 HydrophobicContact CB-CD1 3.58Å; N74-Y143 HydrophobicContact CB-CD2 3.79Å; N74-Y143 HydrophobicContact CB-CE1 3.94Å; N74-Y143 HydrophobicContact CB-CE2 4.15Å; N74-Y143 HydrophobicContact CB-CG 3.5Å; N74-Y143 VanDerWaalsContact CB-CG 3.5Å; V78-Y143 HydrophobicContact CG2-CE2 4.34Å; N140-Y143 PolarHBondContact O-N 3.01Å; Y143-S146 PolarHBondContact O-N 3.03Å; Y143-F147 WeakPolarHBondContact O-CB 3.49Å; Y143-F147 PolarHBondContact O-N 3.05Å |
| 144 | F | 97.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 4% | 0.039 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 177.4 | -178.7 | -106.3 | 0 | 0 | 0 | 111.3 | A75 H127 I132 C136 N140 H141 A142 F147 L148 Q226 | A75-F144 HydrophobicContact CB-CB 4.11Å; H127-F144 AromaticContact CE1-CE1 3.71Å; H127-F144 AromaticContact CE1-CZ 3.95Å; H127-F144 AromaticContact NE2-CZ 3.87Å; I132-F144 HydrophobicContact CD1-CD2 4.31Å; C136-F144 HydrophobicContact CB-CD1 4.43Å; N140-F144 WeakPolarHBondContact O-CB 3.49Å; N140-F144 PolarHBondContact O-N 2.99Å; H141-F144 PolarHBondContact O-N 3.02Å; A142-F144 VanDerWaalsContact C-N 3.35Å; A142-F144 PolarHBondContact O-N 3.28Å; F144-F147 WeakPolarHBondContact O-CB 3.37Å; F144-F147 PolarHBondContact O-N 2.99Å; F144-L148 HydrophobicContact CD1-CD1 3.98Å; F144-L148 HydrophobicContact CD1-CG 4.45Å; F144-L148 HydrophobicContact CE1-CD1 3.49Å; F144-L148 VanDerWaalsContact CE1-CD1 3.49Å; F144-L148 HydrophobicContact CE1-CG 4.15Å; F144-L148 HydrophobicContact CZ-CD1 3.92Å; F144-L148 HydrophobicContact CZ-CD2 4.22Å; F144-L148 HydrophobicContact CZ-CG 4.24Å; F144-L148 WeakPolarHBondContact O-CG 3.19Å; F144-L148 PolarHBondContact O-N 2.83Å; F144-Q226 HydrophobicContact CE1-CG 4.21Å |
| 145 | T | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.7 | -36.6 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | H141 A142 L148 L149 F223 M227 I230 F275 | H141-T145 PolarHBondContact CD2-OG1 3.17Å; H141-T145 PolarHBondContact O-N 3.49Å; H141-T145 PolarHBondContact O-OG1 2.81Å; H141-T145 VanDerWaalsContact O-OG1 3.06Å; A142-T145 PolarHBondContact O-N 3.28Å; T145-L148 PolarHBondContact O-N 2.94Å; T145-L149 PolarHBondContact O-N 3.25Å; T145-F223 HydrophobicContact CG2-CD2 4.15Å; T145-F223 HydrophobicContact CG2-CE2 4Å; T145-M227 HydrophobicContact CG2-CE 3.92Å; T145-I230 HydrophobicContact CG2-CD1 3.79Å; T145-I230 WeakPolarHBondContact OG1-CD1 3.3Å; T145-F275 HydrophobicContact CG2-CE2 4.1Å; T145-F275 HydrophobicContact CG2-CZ 3.68Å |
| 146 | S | 97.5 | Very high | 97.4 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 20% | 0.196 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 172.3 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | N71 A142 Y143 L148 L149 L150 | N71-S146 WeakPolarHBondContact OD1-CB 3.15Å; A142-S146 WeakPolarHBondContact O-CB 3.44Å; A142-S146 PolarHBondContact O-N 3.34Å; A142-S146 PolarHBondContact O-OG 3.06Å; Y143-S146 PolarHBondContact O-N 3.03Å; S146-L148 VanDerWaalsContact C-N 3.33Å; S146-L148 PolarHBondContact O-N 3.2Å; S146-L149 PolarHBondContact O-N 3.32Å; S146-L149 VanDerWaalsContact O-N 3.16Å; S146-L150 WeakPolarHBondContact O-CB 3.5Å; S146-L150 WeakPolarHBondContact O-CD1 3.37Å; S146-L150 WeakPolarHBondContact O-CG 3.33Å; S146-L150 PolarHBondContact O-N 2.72Å |
| 147 | F | 98.1 | Very high | 97.4 | Very high | 18 Ų | 18 | 23 Ų | 23 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.2 | -45.4 | 172.6 | 161.9 | -106.2 | 0 | 0 | 0 | 111.5 | I31 I68 N71 Y72 Y143 F144 L149 L150 A151 | I31-F147 HydrophobicContact CD1-CE2 4.29Å; I68-F147 HydrophobicContact CG2-CD2 4.07Å; I68-F147 HydrophobicContact CG2-CE2 4.04Å; N71-F147 HydrophobicContact CB-CB 3.98Å; Y72-F147 HydrophobicContact CD2-CD1 4.39Å; Y72-F147 HydrophobicContact CD2-CD2 4.06Å; Y72-F147 HydrophobicContact CD2-CE1 4.13Å; Y72-F147 AromaticContact CD2-CE2 3.77Å; Y72-F147 HydrophobicContact CD2-CE2 3.77Å; Y72-F147 HydrophobicContact CD2-CG 4.36Å; Y72-F147 AromaticContact CD2-CZ 3.81Å; Y72-F147 HydrophobicContact CD2-CZ 3.81Å; Y72-F147 HydrophobicContact CE2-CZ 4.38Å; Y72-F147 HydrophobicContact CG-CD2 4.43Å; Y72-F147 HydrophobicContact CG-CE2 4.35Å; Y143-F147 WeakPolarHBondContact O-CB 3.49Å; Y143-F147 PolarHBondContact O-N 3.05Å; F144-F147 WeakPolarHBondContact O-CB 3.37Å; F144-F147 PolarHBondContact O-N 2.99Å; F147-L149 PolarHBondContact O-N 3.07Å; F147-L150 PolarHBondContact O-N 2.8Å; F147-A151 HydrophobicContact CD2-CB 4.22Å; F147-A151 HydrophobicContact CE2-CB 3.89Å; F147-A151 HydrophobicContact CZ-CB 4.39Å; F147-A151 VanDerWaalsContact O-CB 3.3Å; F147-A151 WeakPolarHBondContact O-CB 3.31Å; F147-A151 PolarHBondContact O-N 2.84Å |
| 148 | L | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -24.7 | 177.7 | -64.8 | -178.9 | 0 | 0 | 0 | 113.5 | F144 T145 S146 P152 V219 L222 F223 Q226 | F144-L148 HydrophobicContact CD1-CD1 3.98Å; F144-L148 HydrophobicContact CD1-CG 4.45Å; F144-L148 HydrophobicContact CE1-CD1 3.49Å; F144-L148 VanDerWaalsContact CE1-CD1 3.49Å; F144-L148 HydrophobicContact CE1-CG 4.15Å; F144-L148 HydrophobicContact CZ-CD1 3.92Å; F144-L148 HydrophobicContact CZ-CD2 4.22Å; F144-L148 HydrophobicContact CZ-CG 4.24Å; F144-L148 WeakPolarHBondContact O-CG 3.19Å; F144-L148 PolarHBondContact O-N 2.83Å; T145-L148 PolarHBondContact O-N 2.94Å; S146-L148 VanDerWaalsContact C-N 3.33Å; S146-L148 PolarHBondContact O-N 3.2Å; L148-P152 WeakPolarHBondContact O-CD 3.46Å; L148-P152 WeakPolarHBondContact O-CG 3.44Å; L148-V219 HydrophobicContact CB-CG1 4.42Å; L148-V219 HydrophobicContact CD2-CG1 3.6Å; L148-L222 HydrophobicContact CD1-CB 4.35Å; L148-L222 HydrophobicContact CD2-CB 4.3Å; L148-F223 HydrophobicContact CB-CB 3.9Å; L148-F223 HydrophobicContact CB-CD2 4.2Å; L148-F223 WeakPolarHBondContact O-CB 3.5Å; L148-Q226 HydrophobicContact CD1-CB 4.13Å; L148-Q226 HydrophobicContact CD1-CG 3.76Å |
| 149 | L | 98.2 | Very high | 97.6 | Very high | 72 Ų | 72 | 23.2 Ų | 23.2 | 38% | 0.377 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -82.1 | -50.1 | 173.8 | 177.1 | 59.4 | 0 | 0 | 0 | 111.8 | T145 S146 F147 P152 L153 F223 | T145-L149 PolarHBondContact O-N 3.25Å; S146-L149 PolarHBondContact O-N 3.32Å; S146-L149 VanDerWaalsContact O-N 3.16Å; F147-L149 PolarHBondContact O-N 3.07Å; L149-P152 WeakPolarHBondContact O-CD 3.49Å; L149-L153 HydrophobicContact CD1-CD1 3.9Å; L149-L153 HydrophobicContact CD1-CG 4.43Å; L149-L153 HydrophobicContact CG-CD1 4Å; L149-L153 VanDerWaalsContact O-CG 3.32Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.11Å; L149-F223 HydrophobicContact CB-CD2 3.84Å; L149-F223 HydrophobicContact CB-CE2 3.64Å; L149-F223 HydrophobicContact CB-CZ 4.22Å; L149-F223 HydrophobicContact CD1-CD1 4.47Å; L149-F223 HydrophobicContact CD1-CE1 3.97Å; L149-F223 HydrophobicContact CD1-CE2 4.06Å; L149-F223 HydrophobicContact CD1-CZ 3.74Å; L149-F223 HydrophobicContact CD2-CE2 4.43Å; L149-F223 HydrophobicContact CD2-CZ 4.44Å; L149-F223 HydrophobicContact CG-CE2 4.24Å; L149-F223 HydrophobicContact CG-CZ 4.35Å |
| 150 | L | 98.5 | Very high | 97.7 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 13% | 0.126 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.3 | -36.5 | -171.2 | -65.6 | 166.7 | 0 | 0 | 0 | 112.1 | W64 L67 I68 N71 S146 F147 L153 G154 | W64-L150 HydrophobicContact CE3-CD2 4.1Å; W64-L150 HydrophobicContact CZ3-CD2 3.57Å; L67-L150 HydrophobicContact CB-CD1 3.99Å; I68-L150 HydrophobicContact CG1-CB 3.88Å; N71-L150 VanDerWaalsContact ND2-CD1 3.27Å; N71-L150 WeakPolarHBondContact ND2-CD1 3.48Å; S146-L150 WeakPolarHBondContact O-CB 3.5Å; S146-L150 WeakPolarHBondContact O-CD1 3.37Å; S146-L150 WeakPolarHBondContact O-CG 3.33Å; S146-L150 PolarHBondContact O-N 2.72Å; F147-L150 PolarHBondContact O-N 2.8Å; L150-L153 PolarHBondContact O-N 3.42Å; L150-G154 PolarHBondContact O-N 2.65Å |
| 151 | A | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.033 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I68 F147 L153 C155 V219 | I68-A151 HydrophobicContact CG1-CB 4.49Å; I68-A151 HydrophobicContact CG2-CB 4.4Å; F147-A151 HydrophobicContact CD2-CB 4.22Å; F147-A151 HydrophobicContact CE2-CB 3.89Å; F147-A151 HydrophobicContact CZ-CB 4.39Å; F147-A151 VanDerWaalsContact O-CB 3.3Å; F147-A151 WeakPolarHBondContact O-CB 3.31Å; F147-A151 PolarHBondContact O-N 2.84Å; A151-L153 PolarHBondContact O-N 3.1Å; A151-C155 VanDerWaalsContact O-CB 3.31Å; A151-C155 WeakPolarHBondContact O-CB 3.25Å; A151-C155 PolarHBondContact O-N 3.15Å; A151-C155 PolarHBondContact O-SG 3.48Å; A151-V219 HydrophobicContact CB-CG1 4.46Å |
| 152 | P | 98.4 | Very high | 97.7 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 8% | 0.084 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 171.4 | -26.4 | 35.4 | 0 | 0 | 0 | 113.9 | L148 L149 C155 S156 T216 V219 | L148-P152 WeakPolarHBondContact O-CD 3.46Å; L148-P152 WeakPolarHBondContact O-CG 3.44Å; L149-P152 WeakPolarHBondContact O-CD 3.49Å; P152-C155 PolarHBondContact O-N 3.32Å; P152-S156 WeakPolarHBondContact O-CB 3.45Å; P152-S156 PolarHBondContact O-N 2.92Å; P152-S156 PolarHBondContact O-OG 3.4Å; P152-T216 HydrophobicContact CB-CG2 4.42Å; P152-V219 HydrophobicContact CG-CB 3.95Å; P152-V219 HydrophobicContact CG-CG1 3.88Å |
| 153 | L | 98.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 27.7 Ų | 27.7 | 40% | 0.403 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.5 | -48 | 178.6 | -69.1 | 174.3 | 0 | 0 | 0 | 111.7 | W64 L149 L150 A151 C155 S156 H157 | W64-L153 HydrophobicContact CH2-CB 4.07Å; W64-L153 HydrophobicContact CH2-CD1 4.18Å; W64-L153 HydrophobicContact CZ2-CB 4.31Å; W64-L153 HydrophobicContact CZ3-CB 4.34Å; L149-L153 HydrophobicContact CD1-CD1 3.9Å; L149-L153 HydrophobicContact CD1-CG 4.43Å; L149-L153 HydrophobicContact CG-CD1 4Å; L149-L153 VanDerWaalsContact O-CG 3.32Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.11Å; L150-L153 PolarHBondContact O-N 3.42Å; A151-L153 PolarHBondContact O-N 3.1Å; L153-C155 PolarHBondContact O-N 2.88Å; L153-S156 PolarHBondContact O-N 3.01Å; L153-H157 PolarHBondContact O-N 3.12Å |
| 154 | G | 98.3 | Very high | 97.5 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 8% | 0.082 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L150 H157 A158 | L150-G154 PolarHBondContact O-N 2.65Å; G154-H157 PolarHBondContact O-N 3.45Å; G154-A158 WeakPolarHBondContact O-CB 3.4Å; G154-A158 PolarHBondContact O-N 3.47Å |
| 155 | C | 98.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 29 Ų | 29 | 10% | 0.095 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.5 | -34.6 | 175.9 | -69 | 0 | 0 | 0 | 0 | 112.9 | A151 P152 L153 A158 A159 A212 T216 | A151-C155 VanDerWaalsContact O-CB 3.31Å; A151-C155 WeakPolarHBondContact O-CB 3.25Å; A151-C155 PolarHBondContact O-N 3.15Å; A151-C155 PolarHBondContact O-SG 3.48Å; P152-C155 PolarHBondContact O-N 3.32Å; L153-C155 PolarHBondContact O-N 2.88Å; C155-A158 PolarHBondContact O-N 2.99Å; C155-A159 VanDerWaalsContact O-CB 3.3Å; C155-A159 WeakPolarHBondContact O-CB 3.32Å; C155-A159 PolarHBondContact O-N 2.98Å; C155-A212 HydrophobicContact CB-CB 4.24Å; C155-T216 VanDerWaalsContact CB-OG1 3.32Å; C155-T216 WeakPolarHBondContact CB-OG1 3.48Å |
| 156 | S | 98.5 | Very high | 96.9 | Very high | 43 Ų | 43 | 30.1 Ų | 30.1 | 30% | 0.301 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 174.6 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | P152 L153 A159 I160 T216 | P152-S156 WeakPolarHBondContact O-CB 3.45Å; P152-S156 PolarHBondContact O-N 2.92Å; P152-S156 PolarHBondContact O-OG 3.4Å; L153-S156 PolarHBondContact O-N 3.01Å; S156-A159 PolarHBondContact O-N 3.43Å; S156-I160 WeakPolarHBondContact O-CG1 3.33Å; S156-I160 PolarHBondContact O-N 3.45Å; S156-T216 VanDerWaalsContact OG-CG2 3.26Å; S156-T216 WeakPolarHBondContact OG-CG2 3.28Å |
| 157 | H | 98.1 | Very high | 96.6 | Very high | 40 Ų | 40 | 35.7 Ų | 35.7 | 19% | 0.185 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 175.6 | -174.2 | -169.7 | 0 | 0 | 0 | 111.2 | N57 W64 L153 G154 A159 I160 I161 | N57-H157 PolarHBondContact OD1-CE1 3.21Å; N57-H157 PolarHBondContact OD1-NE2 3.43Å; W64-H157 AromaticContact CD1-ND1 3.54Å; W64-H157 AromaticContact NE1-ND1 3.26Å; W64-H157 PolarHBondContact NE1-ND1 3.22Å; L153-H157 PolarHBondContact O-N 3.12Å; G154-H157 PolarHBondContact O-N 3.45Å; H157-A159 VanDerWaalsContact C-N 3.34Å; H157-A159 PolarHBondContact O-N 3.24Å; H157-I160 WeakPolarHBondContact O-CB 3.33Å; H157-I160 PolarHBondContact O-N 3.29Å; H157-I161 WeakPolarHBondContact O-CG1 3.49Å; H157-I161 PolarHBondContact O-N 3.08Å; H157-I161 VanDerWaalsContact O-N 3.11Å |
| 158 | A | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A38 G154 C155 I160 I161 F162 | A38-A158 HydrophobicContact CB-CB 3.82Å; G154-A158 WeakPolarHBondContact O-CB 3.4Å; G154-A158 PolarHBondContact O-N 3.47Å; C155-A158 PolarHBondContact O-N 2.99Å; A158-I160 VanDerWaalsContact C-N 3.33Å; A158-I160 PolarHBondContact O-N 2.95Å; A158-I161 WeakPolarHBondContact O-CB 3.08Å; A158-I161 PolarHBondContact O-N 2.89Å; A158-I161 VanDerWaalsContact O-N 3.14Å; A158-F162 HydrophobicContact CB-CE2 3.94Å; A158-F162 HydrophobicContact CB-CZ 4.21Å; A158-F162 WeakPolarHBondContact O-CD2 3.31Å; A158-F162 WeakPolarHBondContact O-CG 3.46Å; A158-F162 PolarHBondContact O-N 3.11Å |
| 159 | A | 98.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C155 S156 H157 F162 I163 L209 A212 L213 | C155-A159 VanDerWaalsContact O-CB 3.3Å; C155-A159 WeakPolarHBondContact O-CB 3.32Å; C155-A159 PolarHBondContact O-N 2.98Å; S156-A159 PolarHBondContact O-N 3.43Å; H157-A159 VanDerWaalsContact C-N 3.34Å; H157-A159 PolarHBondContact O-N 3.24Å; A159-F162 PolarHBondContact O-N 3.33Å; A159-I163 WeakPolarHBondContact O-CB 3.26Å; A159-I163 WeakPolarHBondContact O-CD1 3.2Å; A159-I163 VanDerWaalsContact O-CG1 3.3Å; A159-I163 WeakPolarHBondContact O-CG1 3.27Å; A159-I163 PolarHBondContact O-N 3.46Å; A159-L209 HydrophobicContact CB-CD1 3.77Å; A159-A212 HydrophobicContact CB-CB 4.21Å; A159-L213 HydrophobicContact CB-CD2 4.08Å |
| 160 | I | 96.9 | Very high | 94.7 | Very high | 93 Ų | 93 | 37.9 Ų | 37.9 | 48% | 0.477 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 173.9 | -67.4 | 164.3 | 0 | 0 | 0 | 110.1 | S156 H157 A158 F162 I163 M164 | S156-I160 WeakPolarHBondContact O-CG1 3.33Å; S156-I160 PolarHBondContact O-N 3.45Å; H157-I160 WeakPolarHBondContact O-CB 3.33Å; H157-I160 PolarHBondContact O-N 3.29Å; A158-I160 VanDerWaalsContact C-N 3.33Å; A158-I160 PolarHBondContact O-N 2.95Å; I160-F162 PolarHBondContact O-N 2.96Å; I160-I163 PolarHBondContact O-N 3.47Å; I160-M164 HydrophobicContact CG2-CG 4.23Å; I160-M164 WeakPolarHBondContact O-CB 3.47Å; I160-M164 WeakPolarHBondContact O-CG 3.29Å; I160-M164 PolarHBondContact O-N 3.28Å |
| 161 | I | 95.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 176.8 | -62.3 | -61.5 | 0 | 0 | 0 | 110.9 | D41 Y46 H157 A158 I163 M164 T165 | D41-I161 HydrophobicContact CB-CG2 4.08Å; Y46-I161 HydrophobicContact CD1-CD1 3.75Å; Y46-I161 HydrophobicContact CD1-CG2 4.3Å; Y46-I161 HydrophobicContact CE1-CD1 3.67Å; H157-I161 WeakPolarHBondContact O-CG1 3.49Å; H157-I161 PolarHBondContact O-N 3.08Å; H157-I161 VanDerWaalsContact O-N 3.11Å; A158-I161 WeakPolarHBondContact O-CB 3.08Å; A158-I161 PolarHBondContact O-N 2.89Å; A158-I161 VanDerWaalsContact O-N 3.14Å; I161-I163 PolarHBondContact O-N 3.17Å; I161-M164 PolarHBondContact O-N 3.15Å; I161-T165 VanDerWaalsContact O-CB 3.3Å; I161-T165 WeakPolarHBondContact O-CB 3.11Å; I161-T165 PolarHBondContact O-N 3.44Å; I161-T165 PolarHBondContact O-OG1 3.34Å |
| 162 | F | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -47.1 | 178.8 | -60.5 | -34.4 | 0 | 0 | 0 | 112.4 | M37 A38 D41 A158 A159 I160 M164 T165 M166 T205 A208 L209 A212 | M37-F162 HydrophobicContact CB-CE1 3.83Å; M37-F162 HydrophobicContact CB-CZ 3.88Å; A38-F162 VanDerWaalsContact CA-CE1 3.49Å; A38-F162 HydrophobicContact CB-CE1 3.95Å; A38-F162 HydrophobicContact CB-CZ 3.9Å; D41-F162 HydrophobicContact CB-CD1 4.49Å; D41-F162 WeakPolarHBondContact OD2-CD1 3.08Å; A158-F162 HydrophobicContact CB-CE2 3.94Å; A158-F162 HydrophobicContact CB-CZ 4.21Å; A158-F162 WeakPolarHBondContact O-CD2 3.31Å; A158-F162 WeakPolarHBondContact O-CG 3.46Å; A158-F162 PolarHBondContact O-N 3.11Å; A159-F162 PolarHBondContact O-N 3.33Å; I160-F162 PolarHBondContact O-N 2.96Å; F162-M164 VanDerWaalsContact C-N 3.35Å; F162-M164 PolarHBondContact O-N 2.89Å; F162-T165 PolarHBondContact O-N 3.09Å; F162-M166 WeakPolarHBondContact O-CB 3.35Å; F162-M166 VanDerWaalsContact O-CG 3.27Å; F162-M166 WeakPolarHBondContact O-CG 3.32Å; F162-M166 PolarHBondContact O-N 2.94Å; F162-T205 HydrophobicContact CB-CG2 3.79Å; F162-T205 HydrophobicContact CD1-CG2 3.86Å; F162-T205 HydrophobicContact CG-CG2 4.08Å; F162-A208 HydrophobicContact CD2-CB 4.42Å; F162-A208 HydrophobicContact CE1-CB 4.34Å; F162-A208 HydrophobicContact CE2-CB 3.79Å; F162-A208 HydrophobicContact CZ-CB 3.74Å; F162-L209 HydrophobicContact CB-CB 4.11Å; F162-L209 HydrophobicContact CB-CD1 4.17Å; F162-L209 HydrophobicContact CD2-CB 4.09Å; F162-L209 HydrophobicContact CD2-CD1 4.41Å; F162-L209 HydrophobicContact CG-CB 4.46Å; F162-A212 HydrophobicContact CD2-CB 4.45Å; F162-A212 HydrophobicContact CE2-CB 4.17Å |
| 163 | I | 95.9 | Very high | 91.6 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 42% | 0.415 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 178.3 | -72.3 | 160.1 | 0 | 0 | 0 | 110.4 | A159 I160 I161 M166 Y167 L209 | A159-I163 WeakPolarHBondContact O-CB 3.26Å; A159-I163 WeakPolarHBondContact O-CD1 3.2Å; A159-I163 VanDerWaalsContact O-CG1 3.3Å; A159-I163 WeakPolarHBondContact O-CG1 3.27Å; A159-I163 PolarHBondContact O-N 3.46Å; I160-I163 PolarHBondContact O-N 3.47Å; I161-I163 PolarHBondContact O-N 3.17Å; I163-M166 PolarHBondContact O-N 3.4Å; I163-Y167 VanDerWaalsContact O-CB 3.25Å; I163-Y167 WeakPolarHBondContact O-CB 3.17Å; I163-Y167 PolarHBondContact O-N 3.01Å; I163-L209 HydrophobicContact CD1-CD1 4.12Å; I163-L209 HydrophobicContact CG1-CD1 3.92Å; I163-L209 HydrophobicContact CG1-CD2 3.97Å |
| 164 | M | 92.3 | Very high | 90.3 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70 | -36.8 | -177.8 | -65.3 | -65.2 | 172.4 | 0 | 0 | 112.2 | Y46 I160 I161 F162 Y167 T168 | Y46-M164 HydrophobicContact CD2-CB 4Å; Y46-M164 HydrophobicContact CE1-CB 4.22Å; Y46-M164 HydrophobicContact CE2-CB 3.3Å; Y46-M164 HydrophobicContact CE2-CG 4.34Å; Y46-M164 VanDerWaalsContact CZ-CB 3.41Å; Y46-M164 WeakPolarHBondContact OH-CB 3.25Å; I160-M164 HydrophobicContact CG2-CG 4.23Å; I160-M164 WeakPolarHBondContact O-CB 3.47Å; I160-M164 WeakPolarHBondContact O-CG 3.29Å; I160-M164 PolarHBondContact O-N 3.28Å; I161-M164 PolarHBondContact O-N 3.15Å; F162-M164 VanDerWaalsContact C-N 3.35Å; F162-M164 PolarHBondContact O-N 2.89Å; M164-Y167 PolarHBondContact O-N 3.38Å; M164-T168 WeakPolarHBondContact O-CB 3.36Å; M164-T168 VanDerWaalsContact O-CG2 3.31Å; M164-T168 WeakPolarHBondContact O-CG2 3.33Å; M164-T168 PolarHBondContact O-N 2.96Å; M164-T168 PolarHBondContact O-OG1 3.29Å |
| 165 | T | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 172.7 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | D41 W45 Y46 I161 F162 Y167 T168 Q169 F197 | D41-T165 HydrophobicContact CB-CG2 4.21Å; W45-T165 HydrophobicContact CB-CG2 3.55Å; W45-T165 HydrophobicContact CG-CG2 4.48Å; Y46-T165 WeakPolarHBondContact CB-OG1 3.39Å; I161-T165 VanDerWaalsContact O-CB 3.3Å; I161-T165 WeakPolarHBondContact O-CB 3.11Å; I161-T165 PolarHBondContact O-N 3.44Å; I161-T165 PolarHBondContact O-OG1 3.34Å; F162-T165 PolarHBondContact O-N 3.09Å; T165-Y167 VanDerWaalsContact C-N 3.33Å; T165-Y167 PolarHBondContact O-N 3.09Å; T165-T168 PolarHBondContact O-N 3.09Å; T165-T168 PolarHBondContact O-OG1 3.47Å; T165-Q169 HydrophobicContact CG2-CG 4.32Å; T165-Q169 WeakPolarHBondContact O-CB 3.13Å; T165-Q169 WeakPolarHBondContact O-CG 3.49Å; T165-Q169 PolarHBondContact O-N 3.25Å; T165-F197 HydrophobicContact CG2-CE2 4.4Å |
| 166 | M | 91.6 | Very high | 86.9 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 179 | -68 | 177.3 | 77 | 0 | 0 | 112.2 | F162 I163 L170 F202 T205 L206 L209 | F162-M166 WeakPolarHBondContact O-CB 3.35Å; F162-M166 VanDerWaalsContact O-CG 3.27Å; F162-M166 WeakPolarHBondContact O-CG 3.32Å; F162-M166 PolarHBondContact O-N 2.94Å; I163-M166 PolarHBondContact O-N 3.4Å; M166-L170 WeakPolarHBondContact O-CB 3.38Å; M166-L170 PolarHBondContact O-N 3.38Å; M166-F202 HydrophobicContact CE-CD2 3.58Å; M166-F202 HydrophobicContact CE-CE1 4.09Å; M166-F202 HydrophobicContact CE-CE2 3.07Å; M166-F202 HydrophobicContact CE-CG 4.28Å; M166-F202 HydrophobicContact CE-CZ 3.35Å; M166-T205 HydrophobicContact CG-CG2 3.72Å; M166-T205 HydrophobicContact SD-CG2 3.89Å; M166-L206 HydrophobicContact CE-CB 4.01Å; M166-L206 HydrophobicContact CE-CD1 4.15Å; M166-L206 HydrophobicContact SD-CB 4.46Å; M166-L209 HydrophobicContact SD-CD2 4.4Å |
| 167 | Y | 89.9 | Confident | 84.8 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 57% | 0.569 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.5 | -51 | 178 | 175 | -100.6 | 0 | 0 | 0 | 112.1 | I163 M164 T165 L170 Y171 | I163-Y167 VanDerWaalsContact O-CB 3.25Å; I163-Y167 WeakPolarHBondContact O-CB 3.17Å; I163-Y167 PolarHBondContact O-N 3.01Å; M164-Y167 PolarHBondContact O-N 3.38Å; T165-Y167 VanDerWaalsContact C-N 3.33Å; T165-Y167 PolarHBondContact O-N 3.09Å; Y167-L170 PolarHBondContact O-N 2.86Å; Y167-Y171 VanDerWaalsContact O-CB 3.24Å; Y167-Y171 WeakPolarHBondContact O-CB 3.48Å; Y167-Y171 PolarHBondContact O-N 3.38Å |
| 168 | T | 85.3 | Confident | 82.6 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 179.9 | 48 | 0 | 0 | 0 | 0 | 111.3 | Y46 M164 T165 L170 Y171 E172 | Y46-T168 HydrophobicContact CD2-CG2 4.48Å; Y46-T168 HydrophobicContact CE2-CG2 4.31Å; M164-T168 WeakPolarHBondContact O-CB 3.36Å; M164-T168 VanDerWaalsContact O-CG2 3.31Å; M164-T168 WeakPolarHBondContact O-CG2 3.33Å; M164-T168 PolarHBondContact O-N 2.96Å; M164-T168 PolarHBondContact O-OG1 3.29Å; T165-T168 PolarHBondContact O-N 3.09Å; T165-T168 PolarHBondContact O-OG1 3.47Å; T168-L170 PolarHBondContact O-N 3.45Å; T168-Y171 PolarHBondContact O-N 3.14Å; T168-E172 WeakPolarHBondContact O-CG 3.47Å; T168-E172 PolarHBondContact O-N 2.73Å |
| 169 | Q | 85.4 | Confident | 80.5 | Confident | 12 Ų | 12 | 74.8 Ų | 74.8 | 6% | 0.056 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.9 | -36 | -179.2 | -63.4 | -61 | -46.9 | 0 | 0 | 112.9 | W45 T165 R173 F197 | W45-Q169 HydrophobicContact CB-CG 4.39Å; W45-Q169 PolarHBondContact O-NE2 3.16Å; T165-Q169 HydrophobicContact CG2-CG 4.32Å; T165-Q169 WeakPolarHBondContact O-CB 3.13Å; T165-Q169 WeakPolarHBondContact O-CG 3.49Å; T165-Q169 PolarHBondContact O-N 3.25Å; Q169-R173 WeakPolarHBondContact O-CG 3.43Å; Q169-R173 PolarHBondContact O-N 2.98Å; Q169-F197 HydrophobicContact CB-CB 4.11Å; Q169-F197 HydrophobicContact CB-CD1 3.55Å; Q169-F197 HydrophobicContact CB-CE1 4.12Å; Q169-F197 HydrophobicContact CB-CG 3.97Å; Q169-F197 HydrophobicContact CG-CB 3.88Å; Q169-F197 HydrophobicContact CG-CD1 3.88Å; Q169-F197 HydrophobicContact CG-CD2 4.33Å; Q169-F197 HydrophobicContact CG-CE1 4.44Å; Q169-F197 HydrophobicContact CG-CG 3.8Å; Q169-F197 VanDerWaalsContact OE1-CB 3.27Å |
| 170 | L | 84.9 | Confident | 78.2 | Confident | 94 Ų | 94 | 80.1 Ų | 80.1 | 49% | 0.492 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71 | -41.9 | 174.9 | -178.3 | 61.8 | 0 | 0 | 0 | 111.5 | M166 Y167 T168 R173 I174 | M166-L170 WeakPolarHBondContact O-CB 3.38Å; M166-L170 PolarHBondContact O-N 3.38Å; Y167-L170 PolarHBondContact O-N 2.86Å; T168-L170 PolarHBondContact O-N 3.45Å; L170-R173 PolarHBondContact O-N 3.33Å; L170-I174 HydrophobicContact CD1-CD1 3.82Å; L170-I174 HydrophobicContact CD1-CG1 4.15Å; L170-I174 HydrophobicContact CD2-CD1 4.38Å; L170-I174 HydrophobicContact CG-CD1 3.76Å; L170-I174 HydrophobicContact CG-CG1 4.43Å; L170-I174 WeakPolarHBondContact O-CG1 3.4Å; L170-I174 PolarHBondContact O-N 2.86Å |
| 171 | Y | 81.2 | Confident | 76.3 | Confident | 88 Ų | 88 | 80.7 Ų | 80.7 | 35% | 0.345 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 176.8 | 179.2 | -96 | 0 | 0 | 0 | 111 | Y167 T168 R173 I174 S175 | Y167-Y171 VanDerWaalsContact O-CB 3.24Å; Y167-Y171 WeakPolarHBondContact O-CB 3.48Å; Y167-Y171 PolarHBondContact O-N 3.38Å; T168-Y171 PolarHBondContact O-N 3.14Å; Y171-R173 VanDerWaalsContact C-N 3.32Å; Y171-R173 PolarHBondContact O-N 3.23Å; Y171-I174 PolarHBondContact O-N 3.33Å; Y171-S175 VanDerWaalsContact O-CB 3.29Å; Y171-S175 WeakPolarHBondContact O-CB 3.19Å; Y171-S175 PolarHBondContact O-N 2.7Å; Y171-S175 PolarHBondContact O-OG 3.18Å; Y171-S175 VanDerWaalsContact O-OG 3.13Å |
| 172 | E | 73.1 | Confident | 74 | Confident | 62 Ų | 62 | 90.1 Ų | 90.1 | 29% | 0.29 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 178.3 | -73.7 | -174.2 | 168.6 | 0 | 0 | 112.6 | T168 F176 | T168-E172 WeakPolarHBondContact O-CG 3.47Å; T168-E172 PolarHBondContact O-N 2.73Å; E172-F176 VanDerWaalsContact O-CB 3.23Å; E172-F176 WeakPolarHBondContact O-CB 3.24Å; E172-F176 PolarHBondContact O-N 3.3Å |
| 173 | R | 74.5 | Confident | 72 | Confident | 139 Ų | 139 | 95.5 Ų | 95.5 | 53% | 0.525 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 177.9 | -75.1 | 176.4 | 172 | -104.1 | -3.1 | 112.7 | Q169 L170 Y171 G177 F197 | Q169-R173 WeakPolarHBondContact O-CG 3.43Å; Q169-R173 PolarHBondContact O-N 2.98Å; L170-R173 PolarHBondContact O-N 3.33Å; Y171-R173 VanDerWaalsContact C-N 3.32Å; Y171-R173 PolarHBondContact O-N 3.23Å; R173-G177 PolarHBondContact O-N 3.16Å; R173-G177 VanDerWaalsContact O-N 3.15Å; R173-F197 PolarHBondContact NH2-O 2.76Å |
| 174 | I | 72.3 | Confident | 69.7 | Low | 94 Ų | 94 | 97.3 Ų | 97.3 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -45.7 | 179.2 | -66.8 | 172.2 | 0 | 0 | 0 | 110.4 | L170 Y171 F176 G177 W178 | L170-I174 HydrophobicContact CD1-CD1 3.82Å; L170-I174 HydrophobicContact CD1-CG1 4.15Å; L170-I174 HydrophobicContact CD2-CD1 4.38Å; L170-I174 HydrophobicContact CG-CD1 3.76Å; L170-I174 HydrophobicContact CG-CG1 4.43Å; L170-I174 WeakPolarHBondContact O-CG1 3.4Å; L170-I174 PolarHBondContact O-N 2.86Å; Y171-I174 PolarHBondContact O-N 3.33Å; I174-F176 VanDerWaalsContact C-N 3.28Å; I174-F176 PolarHBondContact O-N 3.4Å; I174-G177 PolarHBondContact O-N 3.41Å; I174-W178 PolarHBondContact O-N 3.2Å |
| 175 | S | 65.6 | Low | 67.8 | Low | 56 Ų | 56 | 98.1 Ų | 98.1 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -30.9 | 179.1 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | Y171 | Y171-S175 VanDerWaalsContact O-CB 3.29Å; Y171-S175 WeakPolarHBondContact O-CB 3.19Å; Y171-S175 PolarHBondContact O-N 2.7Å; Y171-S175 PolarHBondContact O-OG 3.18Å; Y171-S175 VanDerWaalsContact O-OG 3.13Å |
| 176 | F | 60 | Low | 65.7 | Low | 184 Ų | 184 | 101.6 Ų | 101.6 | 81% | 0.807 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75 | -34.8 | 173.3 | -171.3 | -100.1 | 0 | 0 | 0 | 112.8 | E172 I174 W178 | E172-F176 VanDerWaalsContact O-CB 3.23Å; E172-F176 WeakPolarHBondContact O-CB 3.24Å; E172-F176 PolarHBondContact O-N 3.3Å; I174-F176 VanDerWaalsContact C-N 3.28Å; I174-F176 PolarHBondContact O-N 3.4Å; F176-W178 VanDerWaalsContact C-N 3.34Å; F176-W178 PolarHBondContact O-N 2.98Å |
| 177 | G | 54.1 | Low | 63.7 | Low | 63 Ų | 63 | 104.2 Ų | 104.2 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.5 | -17.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R173 I174 | R173-G177 PolarHBondContact O-N 3.16Å; R173-G177 VanDerWaalsContact O-N 3.15Å; I174-G177 PolarHBondContact O-N 3.41Å |
| 178 | W | 51.6 | Low | 61.8 | Low | 201 Ų | 201 | 100.5 Ų | 100.5 | 76% | 0.761 | 54% | 0.538 | S | S | * | . | trans | -118.6 | 68.4 | -177.6 | -129.7 | 2.6 | 0 | 0 | 0 | 111 | I174 F176 T180 | I174-W178 PolarHBondContact O-N 3.2Å; F176-W178 VanDerWaalsContact C-N 3.34Å; F176-W178 PolarHBondContact O-N 2.98Å; W178-T180 PolarHBondContact O-N 3.29Å | ||
| 179 | S | 53 | Low | 60 | Low | 115 Ų | 115 | 107.3 Ų | 107.3 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 36.9 | -172.6 | 50.7 | 0 | 0 | 0 | 0 | 116 | ||
| 180 | T | 51.8 | Low | 58.4 | Low | 117 Ų | 117 | 114 Ų | 114 | 72% | 0.718 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -11.2 | 172.8 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | W178 | W178-T180 PolarHBondContact O-N 3.29Š|
| 181 | V | 55.4 | Low | 57.1 | Low | 105 Ų | 105 | 113.4 Ų | 113.4 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | trans | -121.6 | 92.2 | -179.8 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | I183 | V181-I183 HydrophobicContact CG1-CD1 4.04Å; V181-I183 HydrophobicContact CG1-CG1 3.88Å; V181-I183 PolarHBondContact O-N 3.28Å; V181-I183 VanDerWaalsContact O-N 3.1Å | ||
| 182 | K | 47.6 | Very low | 56.2 | Low | 202 Ų | 202 | 117 Ų | 117 | 88% | 0.878 | 61% | 0.605 | S | S | * | * | trans | -77.4 | 86.1 | 171.1 | -68.7 | -174.5 | 179.8 | 179.1 | 0 | 109.3 | ||||
| 183 | I | 54.9 | Low | 55.8 | Low | 113 Ų | 113 | 115.7 Ų | 115.7 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | trans | -82.1 | 116.7 | 160.7 | -64.4 | 163.2 | 0 | 0 | 0 | 106.5 | V181 M185 | V181-I183 HydrophobicContact CG1-CD1 4.04Å; V181-I183 HydrophobicContact CG1-CG1 3.88Å; V181-I183 PolarHBondContact O-N 3.28Å; V181-I183 VanDerWaalsContact O-N 3.1Å; I183-M185 HydrophobicContact CG2-CG 4.13Å; I183-M185 PolarHBondContact O-N 3.1Å | ||
| 184 | D | 48.8 | Very low | 55.5 | Low | 119 Ų | 119 | 115.3 Ų | 115.3 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | trans | -74.6 | 94.9 | -179.7 | -170.8 | 11.6 | 0 | 0 | 0 | 110.5 | S186 | D184-S186 PolarHBondContact OD1-N 3.15Š| ||
| 185 | M | 50.8 | Low | 55.7 | Low | 92 Ų | 92 | 116.4 Ų | 116.4 | 45% | 0.453 | 61% | 0.614 | S | S | . | * | trans | -107.1 | 55.9 | 170 | -69.6 | -68 | -93.4 | 0 | 0 | 110.1 | I183 A187 V188 R189 | I183-M185 HydrophobicContact CG2-CG 4.13Å; I183-M185 PolarHBondContact O-N 3.1Å; M185-A187 PolarHBondContact O-N 2.9Å; M185-A187 VanDerWaalsContact O-N 3.07Å; M185-V188 HydrophobicContact CB-CB 4.33Å; M185-V188 HydrophobicContact CB-CG2 4.4Å; M185-V188 HydrophobicContact CE-CG2 4.06Å; M185-V188 PolarHBondContact O-N 3.44Å; M185-R189 PolarHBondContact O-N 3.29Å; M185-R189 VanDerWaalsContact O-N 3.11Å | ||
| 186 | S | 47.9 | Very low | 56.3 | Low | 73 Ų | 73 | 118.4 Ų | 118.4 | 51% | 0.51 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.8 | -26.1 | 175.1 | 54.7 | 0 | 0 | 0 | 0 | 114 | D184 | D184-S186 PolarHBondContact OD1-N 3.15Š|
| 187 | A | 50.6 | Low | 57.6 | Low | 81 Ų | 81 | 110 Ų | 110 | 67% | 0.669 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -22.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M185 | M185-A187 PolarHBondContact O-N 2.9Å; M185-A187 VanDerWaalsContact O-N 3.07Å |
| 188 | V | 49.2 | Very low | 59.2 | Low | 66 Ų | 66 | 109.5 Ų | 109.5 | 40% | 0.4 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.8 | -25 | 176.5 | -177.9 | 0 | 0 | 0 | 0 | 111 | M185 Q190 | M185-V188 HydrophobicContact CB-CB 4.33Å; M185-V188 HydrophobicContact CB-CG2 4.4Å; M185-V188 HydrophobicContact CE-CG2 4.06Å; M185-V188 PolarHBondContact O-N 3.44Å; V188-Q190 VanDerWaalsContact C-N 3.26Å; V188-Q190 PolarHBondContact O-N 3.1Å; V188-Q190 VanDerWaalsContact O-N 3.16Å |
| 189 | R | 47.5 | Very low | 61 | Low | 177 Ų | 177 | 105.5 Ų | 105.5 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -6.1 | -174.6 | -113.1 | 179.9 | -177.2 | -175.2 | 0.2 | 116.8 | M185 | M185-R189 PolarHBondContact O-N 3.29Å; M185-R189 VanDerWaalsContact O-N 3.11Å |
| 190 | Q | 52.4 | Low | 62.9 | Low | 154 Ų | 154 | 104.5 Ų | 104.5 | 72% | 0.72 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -7.4 | -170.9 | -80.6 | -177.4 | -21.5 | 0 | 0 | 114.8 | V188 | V188-Q190 VanDerWaalsContact C-N 3.26Å; V188-Q190 PolarHBondContact O-N 3.1Å; V188-Q190 VanDerWaalsContact O-N 3.16Å |
| 191 | F | 57.8 | Low | 64.8 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | trans | -114.5 | 102.1 | -173.3 | -56.3 | -61.1 | 0 | 0 | 0 | 110.8 | P48 T51 | P48-F191 HydrophobicContact CB-CD1 4.39Å; P48-F191 HydrophobicContact CG-CB 4.26Å; P48-F191 HydrophobicContact CG-CD1 3.58Å; P48-F191 HydrophobicContact CG-CE1 4.15Å; P48-F191 HydrophobicContact CG-CG 4.03Å; T51-F191 HydrophobicContact CG2-CE1 4.17Å; T51-F191 HydrophobicContact CG2-CZ 4.18Å | ||
| 192 | Q | 61.1 | Low | 66.6 | Low | 164 Ų | 164 | 98.4 Ų | 98.4 | 77% | 0.766 | 52% | 0.521 | S | S | * | . | trans | -80.6 | 123.4 | 165.9 | -66.9 | -65.3 | -70.3 | 0 | 0 | 107.8 | ||||
| 193 | P | 65.5 | Low | 68.8 | Low | 35 Ų | 35 | 91.4 Ų | 91.4 | 23% | 0.227 | 50% | 0.5 | C | S | . | . | trans | -61.2 | 146.2 | 177.1 | 25.7 | -33.2 | 0 | 0 | 0 | 110.2 | I44 M195 | I44-P193 WeakPolarHBondContact O-CA 3.48Å; P193-M195 PolarHBondContact O-N 3.28Å | ||
| 194 | L | 66.9 | Low | 70.8 | Confident | 130 Ų | 130 | 87.9 Ų | 87.9 | 68% | 0.681 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -61.3 | -29.3 | -178.3 | -69.3 | 174.4 | 0 | 0 | 0 | 112.2 | I43 I44 | I43-L194 HydrophobicContact CG2-CD1 4.29Å; I44-L194 HydrophobicContact CG2-CB 4.21Å; I44-L194 PolarHBondContact O-N 2.78Å; I44-L194 VanDerWaalsContact O-N 3.13Å |
| 195 | M | 76.2 | Confident | 73 | Confident | 117 Ų | 117 | 82.2 Ų | 82.2 | 58% | 0.576 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -140.3 | 145.2 | 179.1 | -69.1 | -71.9 | -72.1 | 0 | 0 | 109.9 | I44 W45 P193 F197 | I44-M195 HydrophobicContact CG2-CB 3.82Å; I44-M195 HydrophobicContact CG2-CG 4.27Å; W45-M195 VanDerWaalsContact CD1-O 3.3Å; W45-M195 PolarHBondContact NE1-O 3.46Å; P193-M195 PolarHBondContact O-N 3.28Å; M195-F197 PolarHBondContact O-N 3.26Å |
| 196 | P | 80.2 | Confident | 75.2 | Confident | 99 Ų | 99 | 82 Ų | 82 | 64% | 0.643 | 46% | 0.457 | S | S | * | . | trans | -63.1 | 131.7 | 176.8 | 26.6 | -33.7 | 0 | 0 | 0 | 110.6 | S198 | P196-S198 PolarHBondContact O-N 2.62Š| ||
| 197 | F | 85.9 | Confident | 77.6 | Confident | 8 Ų | 8 | 84.4 Ų | 84.4 | 4% | 0.035 | 46% | 0.459 | C | S | . | . | trans | -71.3 | 95.5 | -179.3 | -170.9 | -118.1 | 0 | 0 | 0 | 111 | W45 T165 Q169 R173 M195 A201 F202 | W45-F197 HydrophobicContact CB-CD2 4.49Å; W45-F197 AromaticContact CD1-CD2 3.81Å; W45-F197 AromaticContact CD2-CD2 3.62Å; W45-F197 HydrophobicContact CD2-CD2 3.62Å; W45-F197 HydrophobicContact CD2-CE2 4.11Å; W45-F197 AromaticContact CE2-CD2 3.75Å; W45-F197 HydrophobicContact CE3-CD2 4.11Å; W45-F197 HydrophobicContact CE3-CE2 4.13Å; W45-F197 AromaticContact CG-CD2 3.73Å; W45-F197 HydrophobicContact CG-CD2 3.73Å; W45-F197 HydrophobicContact CG-CE2 4.42Å; W45-F197 HydrophobicContact CZ2-CD2 4.42Å; W45-F197 AromaticContact NE1-CD2 3.82Å; T165-F197 HydrophobicContact CG2-CE2 4.4Å; Q169-F197 HydrophobicContact CB-CB 4.11Å; Q169-F197 HydrophobicContact CB-CD1 3.55Å; Q169-F197 HydrophobicContact CB-CE1 4.12Å; Q169-F197 HydrophobicContact CB-CG 3.97Å; Q169-F197 HydrophobicContact CG-CB 3.88Å; Q169-F197 HydrophobicContact CG-CD1 3.88Å; Q169-F197 HydrophobicContact CG-CD2 4.33Å; Q169-F197 HydrophobicContact CG-CE1 4.44Å; Q169-F197 HydrophobicContact CG-CG 3.8Å; Q169-F197 VanDerWaalsContact OE1-CB 3.27Å; R173-F197 PolarHBondContact NH2-O 2.76Å; M195-F197 PolarHBondContact O-N 3.26Å; F197-A201 HydrophobicContact CD2-CB 3.73Å; F197-A201 HydrophobicContact CE2-CB 3.71Å; F197-A201 HydrophobicContact CZ-CB 4.48Å; F197-F202 HydrophobicContact CD1-CB 4.45Å; F197-F202 HydrophobicContact CE1-CB 3.73Å; F197-F202 AromaticContact CE1-CD2 3.94Å; F197-F202 HydrophobicContact CE1-CD2 3.94Å; F197-F202 HydrophobicContact CE1-CG 4.33Å; F197-F202 HydrophobicContact CZ-CB 4.08Å | ||
| 198 | S | 88.3 | Confident | 79.9 | Confident | 52 Ų | 52 | 80.5 Ų | 80.5 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | trans | -76.8 | 166.1 | -172.2 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | P196 P200 A201 F202 | P196-S198 PolarHBondContact O-N 2.62Å; S198-P200 WeakPolarHBondContact OG-CD 3.38Å; S198-A201 WeakPolarHBondContact O-CB 3.46Å; S198-A201 PolarHBondContact O-N 3.24Å; S198-A201 VanDerWaalsContact O-N 3.1Å; S198-A201 PolarHBondContact OG-N 2.85Å; S198-F202 PolarHBondContact O-N 3.3Å | ||
| 199 | V | 89.7 | Confident | 82.2 | Confident | 116 Ų | 116 | 78.3 Ų | 78.3 | 70% | 0.703 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.1 | -42 | 174.6 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | A201 F202 A203 | V199-A201 PolarHBondContact O-N 2.81Å; V199-F202 PolarHBondContact O-N 3.49Å; V199-A203 PolarHBondContact O-N 3.05Å |
| 200 | P | 92.5 | Very high | 84.6 | Confident | 94 Ų | 94 | 72.1 Ų | 72.1 | 61% | 0.61 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.8 | -40.1 | 171.3 | -27.2 | 35.8 | 0 | 0 | 0 | 114 | S198 A203 A204 | S198-P200 WeakPolarHBondContact OG-CD 3.38Å; P200-A203 PolarHBondContact O-N 3.12Å; P200-A204 WeakPolarHBondContact O-CB 3.28Å; P200-A204 PolarHBondContact O-N 2.72Å |
| 201 | A | 91.6 | Very high | 86.8 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | W45 F197 S198 V199 A203 A204 T205 | W45-A201 HydrophobicContact CH2-CB 4.13Å; W45-A201 HydrophobicContact CZ2-CB 4.12Å; F197-A201 HydrophobicContact CD2-CB 3.73Å; F197-A201 HydrophobicContact CE2-CB 3.71Å; F197-A201 HydrophobicContact CZ-CB 4.48Å; S198-A201 WeakPolarHBondContact O-CB 3.46Å; S198-A201 PolarHBondContact O-N 3.24Å; S198-A201 VanDerWaalsContact O-N 3.1Å; S198-A201 PolarHBondContact OG-N 2.85Å; V199-A201 PolarHBondContact O-N 2.81Å; A201-A203 PolarHBondContact O-N 2.98Å; A201-A204 PolarHBondContact O-N 3.25Å; A201-T205 WeakPolarHBondContact O-CB 3.49Å; A201-T205 PolarHBondContact O-N 3.32Å; A201-T205 PolarHBondContact O-OG1 2.88Å; A201-T205 VanDerWaalsContact O-OG1 3.13Å |
| 202 | F | 92.7 | Very high | 88.8 | Confident | 84 Ų | 84 | 63 Ų | 63 | 37% | 0.368 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.5 | -47.2 | 173 | 177.4 | -86.6 | 0 | 0 | 0 | 112.3 | M166 F197 S198 V199 A204 T205 L206 | M166-F202 HydrophobicContact CE-CD2 3.58Å; M166-F202 HydrophobicContact CE-CE1 4.09Å; M166-F202 HydrophobicContact CE-CE2 3.07Å; M166-F202 HydrophobicContact CE-CG 4.28Å; M166-F202 HydrophobicContact CE-CZ 3.35Å; F197-F202 HydrophobicContact CD1-CB 4.45Å; F197-F202 HydrophobicContact CE1-CB 3.73Å; F197-F202 AromaticContact CE1-CD2 3.94Å; F197-F202 HydrophobicContact CE1-CD2 3.94Å; F197-F202 HydrophobicContact CE1-CG 4.33Å; F197-F202 HydrophobicContact CZ-CB 4.08Å; S198-F202 PolarHBondContact O-N 3.3Å; V199-F202 PolarHBondContact O-N 3.49Å; F202-A204 PolarHBondContact O-N 3.38Å; F202-T205 PolarHBondContact O-N 3.33Å; F202-L206 HydrophobicContact CE1-CD2 4.08Å; F202-L206 VanDerWaalsContact O-CB 3.26Å; F202-L206 WeakPolarHBondContact O-CB 3.3Å; F202-L206 PolarHBondContact O-N 3.31Å |
| 203 | A | 94.8 | Very high | 90.5 | Very high | 54 Ų | 54 | 59 Ų | 59 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V199 P200 A201 F207 | V199-A203 PolarHBondContact O-N 3.05Å; P200-A203 PolarHBondContact O-N 3.12Å; A201-A203 PolarHBondContact O-N 2.98Å; A203-F207 WeakPolarHBondContact O-CB 3.43Å; A203-F207 PolarHBondContact O-N 2.92Å |
| 204 | A | 96 | Very high | 92.1 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M37 P200 A201 F202 L206 F207 A208 | M37-A204 HydrophobicContact CE-CB 4.24Å; P200-A204 WeakPolarHBondContact O-CB 3.28Å; P200-A204 PolarHBondContact O-N 2.72Å; A201-A204 PolarHBondContact O-N 3.25Å; F202-A204 PolarHBondContact O-N 3.38Å; A204-L206 PolarHBondContact O-N 3.33Å; A204-F207 PolarHBondContact O-N 2.87Å; A204-A208 WeakPolarHBondContact O-CB 3.41Å; A204-A208 PolarHBondContact O-N 3.5Å |
| 205 | T | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.5 | -61 | 0 | 0 | 0 | 0 | 111.2 | D41 F162 M166 A201 F202 A208 L209 | D41-T205 PolarHBondContact OD1-OG1 3.41Å; D41-T205 WeakPolarHBondContact OD2-CG2 3.48Å; D41-T205 PolarHBondContact OD2-OG1 3.41Å; F162-T205 HydrophobicContact CB-CG2 3.79Å; F162-T205 HydrophobicContact CD1-CG2 3.86Å; F162-T205 HydrophobicContact CG-CG2 4.08Å; M166-T205 HydrophobicContact CG-CG2 3.72Å; M166-T205 HydrophobicContact SD-CG2 3.89Å; A201-T205 WeakPolarHBondContact O-CB 3.49Å; A201-T205 PolarHBondContact O-N 3.32Å; A201-T205 PolarHBondContact O-OG1 2.88Å; A201-T205 VanDerWaalsContact O-OG1 3.13Å; F202-T205 PolarHBondContact O-N 3.33Å; T205-A208 PolarHBondContact O-N 2.87Å; T205-L209 WeakPolarHBondContact O-CB 3.3Å; T205-L209 PolarHBondContact O-N 2.88Å |
| 206 | L | 97 | Very high | 94.6 | Very high | 87 Ų | 87 | 50.1 Ų | 50.1 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.6 | -179.9 | 59.9 | 0 | 0 | 0 | 112 | M166 F202 A204 L209 G210 | M166-L206 HydrophobicContact CE-CB 4.01Å; M166-L206 HydrophobicContact CE-CD1 4.15Å; M166-L206 HydrophobicContact SD-CB 4.46Å; F202-L206 HydrophobicContact CE1-CD2 4.08Å; F202-L206 VanDerWaalsContact O-CB 3.26Å; F202-L206 WeakPolarHBondContact O-CB 3.3Å; F202-L206 PolarHBondContact O-N 3.31Å; A204-L206 PolarHBondContact O-N 3.33Å; L206-L209 PolarHBondContact O-N 2.74Å; L206-G210 PolarHBondContact O-N 2.99Å |
| 207 | F | 98.1 | Very high | 95.4 | Very high | 124 Ų | 124 | 50.3 Ų | 50.3 | 54% | 0.544 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.8 | 178.2 | -105 | 0 | 0 | 0 | 111.6 | A203 A204 L209 G210 L211 | A203-F207 WeakPolarHBondContact O-CB 3.43Å; A203-F207 PolarHBondContact O-N 2.92Å; A204-F207 PolarHBondContact O-N 2.87Å; F207-L209 VanDerWaalsContact C-N 3.31Å; F207-L209 PolarHBondContact O-N 3.06Å; F207-G210 PolarHBondContact O-N 2.91Å; F207-G210 VanDerWaalsContact O-N 3.17Å; F207-L211 HydrophobicContact CD1-CD1 4.12Å; F207-L211 HydrophobicContact CE1-CD1 3.54Å; F207-L211 HydrophobicContact CE1-CG 4.2Å; F207-L211 HydrophobicContact CZ-CD1 3.91Å; F207-L211 HydrophobicContact CZ-CD2 4.37Å; F207-L211 HydrophobicContact CZ-CG 4.23Å; F207-L211 PolarHBondContact O-N 2.84Å; F207-L211 VanDerWaalsContact O-N 3.07Å |
| 208 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I33 M37 F162 A204 T205 L211 A212 | I33-A208 HydrophobicContact CG2-CB 4.49Å; M37-A208 HydrophobicContact CB-CB 3.9Å; M37-A208 HydrophobicContact CG-CB 4Å; F162-A208 HydrophobicContact CD2-CB 4.42Å; F162-A208 HydrophobicContact CE1-CB 4.34Å; F162-A208 HydrophobicContact CE2-CB 3.79Å; F162-A208 HydrophobicContact CZ-CB 3.74Å; A204-A208 WeakPolarHBondContact O-CB 3.41Å; A204-A208 PolarHBondContact O-N 3.5Å; T205-A208 PolarHBondContact O-N 2.87Å; A208-L211 PolarHBondContact O-N 3.45Å; A208-A212 WeakPolarHBondContact O-CB 3.47Å; A208-A212 PolarHBondContact O-N 2.87Å |
| 209 | L | 98.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 172.8 | 176.8 | 61.8 | 0 | 0 | 0 | 111.7 | A159 F162 I163 M166 T205 L206 F207 L211 A212 L213 | A159-L209 HydrophobicContact CB-CD1 3.77Å; F162-L209 HydrophobicContact CB-CB 4.11Å; F162-L209 HydrophobicContact CB-CD1 4.17Å; F162-L209 HydrophobicContact CD2-CB 4.09Å; F162-L209 HydrophobicContact CD2-CD1 4.41Å; F162-L209 HydrophobicContact CG-CB 4.46Å; I163-L209 HydrophobicContact CD1-CD1 4.12Å; I163-L209 HydrophobicContact CG1-CD1 3.92Å; I163-L209 HydrophobicContact CG1-CD2 3.97Å; M166-L209 HydrophobicContact SD-CD2 4.4Å; T205-L209 WeakPolarHBondContact O-CB 3.3Å; T205-L209 PolarHBondContact O-N 2.88Å; L206-L209 PolarHBondContact O-N 2.74Å; F207-L209 VanDerWaalsContact C-N 3.31Å; F207-L209 PolarHBondContact O-N 3.06Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L209-L211 PolarHBondContact O-N 3.42Å; L209-A212 PolarHBondContact O-N 3.42Å; L209-L213 HydrophobicContact CD1-CD1 3.9Å; L209-L213 HydrophobicContact CD1-CD2 4.49Å; L209-L213 HydrophobicContact CD1-CG 3.92Å; L209-L213 HydrophobicContact CG-CD1 4.01Å; L209-L213 HydrophobicContact CG-CG 4.41Å; L209-L213 WeakPolarHBondContact O-CB 3.48Å; L209-L213 WeakPolarHBondContact O-CG 3.12Å; L209-L213 PolarHBondContact O-N 3.19Å |
| 210 | G | 98.3 | Very high | 96.8 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L206 F207 G214 | L206-G210 PolarHBondContact O-N 2.99Å; F207-G210 PolarHBondContact O-N 2.91Å; F207-G210 VanDerWaalsContact O-N 3.17Å; G210-G214 PolarHBondContact O-N 2.72Å |
| 211 | L | 98.4 | Very high | 97 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.9 | -67.2 | -179.6 | 0 | 0 | 0 | 112.4 | I33 F207 A208 L209 T215 | I33-L211 HydrophobicContact CB-CD1 4.4Å; I33-L211 HydrophobicContact CD1-CD1 4.36Å; I33-L211 HydrophobicContact CG2-CD1 3.94Å; F207-L211 HydrophobicContact CD1-CD1 4.12Å; F207-L211 HydrophobicContact CE1-CD1 3.54Å; F207-L211 HydrophobicContact CE1-CG 4.2Å; F207-L211 HydrophobicContact CZ-CD1 3.91Å; F207-L211 HydrophobicContact CZ-CD2 4.37Å; F207-L211 HydrophobicContact CZ-CG 4.23Å; F207-L211 PolarHBondContact O-N 2.84Å; F207-L211 VanDerWaalsContact O-N 3.07Å; A208-L211 PolarHBondContact O-N 3.45Å; L209-L211 VanDerWaalsContact C-N 3.35Å; L209-L211 PolarHBondContact O-N 3.42Å; L211-T215 VanDerWaalsContact O-CB 3.26Å; L211-T215 WeakPolarHBondContact O-CB 3.47Å; L211-T215 PolarHBondContact O-N 2.84Å; L211-T215 PolarHBondContact O-OG1 3.14Å |
| 212 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C155 A159 F162 A208 L209 T215 T216 | C155-A212 HydrophobicContact CB-CB 4.24Å; A159-A212 HydrophobicContact CB-CB 4.21Å; F162-A212 HydrophobicContact CD2-CB 4.45Å; F162-A212 HydrophobicContact CE2-CB 4.17Å; A208-A212 WeakPolarHBondContact O-CB 3.47Å; A208-A212 PolarHBondContact O-N 2.87Å; L209-A212 PolarHBondContact O-N 3.42Å; A212-T215 PolarHBondContact O-N 2.89Å; A212-T216 WeakPolarHBondContact O-CB 3.24Å; A212-T216 PolarHBondContact O-N 2.94Å; A212-T216 PolarHBondContact O-OG1 2.81Å |
| 213 | L | 98.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 48 Ų | 48 | 41% | 0.414 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 176.2 | -68.7 | 175.6 | 0 | 0 | 0 | 111.6 | A159 L209 T215 T216 I217 | A159-L213 HydrophobicContact CB-CD2 4.08Å; L209-L213 HydrophobicContact CD1-CD1 3.9Å; L209-L213 HydrophobicContact CD1-CD2 4.49Å; L209-L213 HydrophobicContact CD1-CG 3.92Å; L209-L213 HydrophobicContact CG-CD1 4.01Å; L209-L213 HydrophobicContact CG-CG 4.41Å; L209-L213 WeakPolarHBondContact O-CB 3.48Å; L209-L213 WeakPolarHBondContact O-CG 3.12Å; L209-L213 PolarHBondContact O-N 3.19Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 PolarHBondContact O-N 2.89Å; L213-T216 PolarHBondContact O-N 2.61Å; L213-I217 WeakPolarHBondContact O-CG1 3.36Å; L213-I217 PolarHBondContact O-N 3.5Å |
| 214 | G | 97.8 | Very high | 97.6 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G210 I217 A218 | G210-G214 PolarHBondContact O-N 2.72Å; G214-I217 PolarHBondContact O-N 2.66Å; G214-A218 VanDerWaalsContact O-CB 3.27Å; G214-A218 WeakPolarHBondContact O-CB 3.49Å; G214-A218 PolarHBondContact O-N 2.94Å |
| 215 | T | 97.8 | Very high | 97.5 | Very high | 26 Ų | 26 | 55.2 Ų | 55.2 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | L211 A212 L213 I217 A218 V219 | L211-T215 VanDerWaalsContact O-CB 3.26Å; L211-T215 WeakPolarHBondContact O-CB 3.47Å; L211-T215 PolarHBondContact O-N 2.84Å; L211-T215 PolarHBondContact O-OG1 3.14Å; A212-T215 PolarHBondContact O-N 2.89Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 PolarHBondContact O-N 2.89Å; T215-I217 VanDerWaalsContact C-N 3.32Å; T215-I217 PolarHBondContact O-N 3.27Å; T215-A218 PolarHBondContact O-N 3.36Å; T215-V219 HydrophobicContact CG2-CB 4.32Å; T215-V219 HydrophobicContact CG2-CG2 3.75Å; T215-V219 WeakPolarHBondContact O-CA 3.35Å; T215-V219 WeakPolarHBondContact O-CB 3.36Å; T215-V219 WeakPolarHBondContact O-CG2 3.18Å; T215-V219 PolarHBondContact O-N 3.45Å |
| 216 | T | 98.2 | Very high | 97.5 | Very high | 30 Ų | 30 | 56 Ų | 56 | 18% | 0.184 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 179.1 | -61 | 0 | 0 | 0 | 0 | 111.5 | P152 C155 S156 A212 L213 G220 | P152-T216 HydrophobicContact CB-CG2 4.42Å; C155-T216 VanDerWaalsContact CB-OG1 3.32Å; C155-T216 WeakPolarHBondContact CB-OG1 3.48Å; S156-T216 VanDerWaalsContact OG-CG2 3.26Å; S156-T216 WeakPolarHBondContact OG-CG2 3.28Å; A212-T216 WeakPolarHBondContact O-CB 3.24Å; A212-T216 PolarHBondContact O-N 2.94Å; A212-T216 PolarHBondContact O-OG1 2.81Å; L213-T216 PolarHBondContact O-N 2.61Å; T216-G220 VanDerWaalsContact O-CA 3.3Å; T216-G220 WeakPolarHBondContact O-CA 3.5Å; T216-G220 PolarHBondContact O-N 3.03Å; T216-G220 VanDerWaalsContact O-N 3.08Å |
| 217 | I | 97.8 | Very high | 97.5 | Very high | 103 Ų | 103 | 53.6 Ų | 53.6 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.7 | -55.8 | 179.6 | -63.2 | 168.8 | 0 | 0 | 0 | 110.5 | L213 G214 T215 M221 | L213-I217 WeakPolarHBondContact O-CG1 3.36Å; L213-I217 PolarHBondContact O-N 3.5Å; G214-I217 PolarHBondContact O-N 2.66Å; T215-I217 VanDerWaalsContact C-N 3.32Å; T215-I217 PolarHBondContact O-N 3.27Å; I217-M221 HydrophobicContact CG2-CE 3.67Å; I217-M221 HydrophobicContact CG2-SD 4.31Å; I217-M221 VanDerWaalsContact O-CG 3.27Å; I217-M221 WeakPolarHBondContact O-CG 3.45Å; I217-M221 PolarHBondContact O-N 3.42Å |
| 218 | A | 96.8 | Very high | 97.3 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 45% | 0.446 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.7 | -49.5 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | G214 T215 M221 L222 | G214-A218 VanDerWaalsContact O-CB 3.27Å; G214-A218 WeakPolarHBondContact O-CB 3.49Å; G214-A218 PolarHBondContact O-N 2.94Å; T215-A218 PolarHBondContact O-N 3.36Å; A218-M221 PolarHBondContact O-N 2.94Å; A218-L222 WeakPolarHBondContact O-CG 3.47Å; A218-L222 PolarHBondContact O-N 3.35Å |
| 219 | V | 97.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.1 | -34.1 | 179.9 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L148 A151 P152 T215 L222 F223 | L148-V219 HydrophobicContact CB-CG1 4.42Å; L148-V219 HydrophobicContact CD2-CG1 3.6Å; A151-V219 HydrophobicContact CB-CG1 4.46Å; P152-V219 HydrophobicContact CG-CB 3.95Å; P152-V219 HydrophobicContact CG-CG1 3.88Å; T215-V219 HydrophobicContact CG2-CB 4.32Å; T215-V219 HydrophobicContact CG2-CG2 3.75Å; T215-V219 WeakPolarHBondContact O-CA 3.35Å; T215-V219 WeakPolarHBondContact O-CB 3.36Å; T215-V219 WeakPolarHBondContact O-CG2 3.18Å; T215-V219 PolarHBondContact O-N 3.45Å; V219-L222 WeakPolarHBondContact O-CB 3.44Å; V219-L222 PolarHBondContact O-N 3.03Å; V219-F223 PolarHBondContact O-N 2.93Å |
| 220 | G | 97.8 | Very high | 97 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T216 L222 F223 F224 | T216-G220 VanDerWaalsContact O-CA 3.3Å; T216-G220 WeakPolarHBondContact O-CA 3.5Å; T216-G220 PolarHBondContact O-N 3.03Å; T216-G220 VanDerWaalsContact O-N 3.08Å; G220-L222 VanDerWaalsContact C-N 3.31Å; G220-L222 PolarHBondContact O-N 3.38Å; G220-F223 WeakPolarHBondContact O-CB 3.49Å; G220-F223 PolarHBondContact O-N 3.21Å; G220-F223 VanDerWaalsContact O-N 3.15Å; G220-F224 WeakPolarHBondContact O-CD2 3.33Å; G220-F224 PolarHBondContact O-N 2.89Å; G220-F224 VanDerWaalsContact O-N 3.1Å |
| 221 | M | 97.3 | Very high | 96.9 | Very high | 119 Ų | 119 | 54.1 Ų | 54.1 | 59% | 0.586 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58 | -43.1 | 174.1 | -73.6 | 175.2 | -178.6 | 0 | 0 | 112.2 | I217 A218 F223 F224 I225 | I217-M221 HydrophobicContact CG2-CE 3.67Å; I217-M221 HydrophobicContact CG2-SD 4.31Å; I217-M221 VanDerWaalsContact O-CG 3.27Å; I217-M221 WeakPolarHBondContact O-CG 3.45Å; I217-M221 PolarHBondContact O-N 3.42Å; A218-M221 PolarHBondContact O-N 2.94Å; M221-F223 VanDerWaalsContact C-N 3.34Å; M221-F223 PolarHBondContact O-N 3.45Å; M221-F224 PolarHBondContact O-N 3.16Å; M221-I225 WeakPolarHBondContact O-CG1 3.49Å; M221-I225 PolarHBondContact O-N 3.2Å; M221-I225 VanDerWaalsContact O-N 3.11Å |
| 222 | L | 95.8 | Very high | 96.7 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 41% | 0.414 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 176.3 | -67.7 | 176.3 | 0 | 0 | 0 | 112.2 | L148 A218 V219 G220 F224 I225 Q226 | L148-L222 HydrophobicContact CD1-CB 4.35Å; L148-L222 HydrophobicContact CD2-CB 4.3Å; A218-L222 WeakPolarHBondContact O-CG 3.47Å; A218-L222 PolarHBondContact O-N 3.35Å; V219-L222 WeakPolarHBondContact O-CB 3.44Å; V219-L222 PolarHBondContact O-N 3.03Å; G220-L222 VanDerWaalsContact C-N 3.31Å; G220-L222 PolarHBondContact O-N 3.38Å; L222-F224 PolarHBondContact O-N 3.02Å; L222-I225 PolarHBondContact O-N 2.93Å; L222-Q226 WeakPolarHBondContact O-CB 3.16Å; L222-Q226 WeakPolarHBondContact O-CG 3.27Å; L222-Q226 PolarHBondContact O-N 3.1Å |
| 223 | F | 97.9 | Very high | 96.6 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 173.6 | 171.1 | -104.5 | 0 | 0 | 0 | 111.5 | T145 L148 L149 V219 G220 M221 I225 Q226 M227 | T145-F223 HydrophobicContact CG2-CD2 4.15Å; T145-F223 HydrophobicContact CG2-CE2 4Å; L148-F223 HydrophobicContact CB-CB 3.9Å; L148-F223 HydrophobicContact CB-CD2 4.2Å; L148-F223 WeakPolarHBondContact O-CB 3.5Å; L149-F223 HydrophobicContact CB-CD2 3.84Å; L149-F223 HydrophobicContact CB-CE2 3.64Å; L149-F223 HydrophobicContact CB-CZ 4.22Å; L149-F223 HydrophobicContact CD1-CD1 4.47Å; L149-F223 HydrophobicContact CD1-CE1 3.97Å; L149-F223 HydrophobicContact CD1-CE2 4.06Å; L149-F223 HydrophobicContact CD1-CZ 3.74Å; L149-F223 HydrophobicContact CD2-CE2 4.43Å; L149-F223 HydrophobicContact CD2-CZ 4.44Å; L149-F223 HydrophobicContact CG-CE2 4.24Å; L149-F223 HydrophobicContact CG-CZ 4.35Å; V219-F223 PolarHBondContact O-N 2.93Å; G220-F223 WeakPolarHBondContact O-CB 3.49Å; G220-F223 PolarHBondContact O-N 3.21Å; G220-F223 VanDerWaalsContact O-N 3.15Å; M221-F223 VanDerWaalsContact C-N 3.34Å; M221-F223 PolarHBondContact O-N 3.45Å; F223-I225 VanDerWaalsContact C-N 3.33Å; F223-I225 PolarHBondContact O-N 3.33Å; F223-Q226 PolarHBondContact O-N 3.13Å; F223-M227 HydrophobicContact CE2-CE 3.55Å; F223-M227 HydrophobicContact CZ-CB 4.37Å; F223-M227 HydrophobicContact CZ-CE 3.61Å; F223-M227 HydrophobicContact CZ-CG 4.46Å; F223-M227 WeakPolarHBondContact O-CB 3.46Å; F223-M227 PolarHBondContact O-N 3.3Å |
| 224 | F | 96.7 | Very high | 96.5 | Very high | 146 Ų | 146 | 54.6 Ų | 54.6 | 64% | 0.64 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.2 | -40.5 | 179.3 | -72.5 | -70.7 | 0 | 0 | 0 | 112.3 | G220 M221 L222 K228 | G220-F224 WeakPolarHBondContact O-CD2 3.33Å; G220-F224 PolarHBondContact O-N 2.89Å; G220-F224 VanDerWaalsContact O-N 3.1Å; M221-F224 PolarHBondContact O-N 3.16Å; L222-F224 PolarHBondContact O-N 3.02Å; F224-K228 WeakPolarHBondContact O-CB 3.39Å; F224-K228 PolarHBondContact O-N 3.4Å |
| 225 | I | 94.3 | Very high | 96.4 | Very high | 100 Ų | 100 | 52.7 Ų | 52.7 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 175.9 | -67.2 | 166.6 | 0 | 0 | 0 | 110.4 | M221 L222 F223 K228 V229 | M221-I225 WeakPolarHBondContact O-CG1 3.49Å; M221-I225 PolarHBondContact O-N 3.2Å; M221-I225 VanDerWaalsContact O-N 3.11Å; L222-I225 PolarHBondContact O-N 2.93Å; F223-I225 VanDerWaalsContact C-N 3.33Å; F223-I225 PolarHBondContact O-N 3.33Å; I225-K228 WeakPolarHBondContact O-CB 3.2Å; I225-K228 PolarHBondContact O-N 3.29Å; I225-V229 PolarHBondContact O-N 2.97Å |
| 226 | Q | 95.7 | Very high | 96 | Very high | 17 Ų | 17 | 54 Ų | 54 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | -179.2 | -74.1 | -66.3 | -10.9 | 0 | 0 | 112.1 | D126 H127 F144 L148 L222 F223 K228 V229 I230 | D126-Q226 PolarHBondContact OD2-NE2 2.94Å; H127-Q226 PolarHBondContact CE1-NE2 3.45Å; F144-Q226 HydrophobicContact CE1-CG 4.21Å; L148-Q226 HydrophobicContact CD1-CB 4.13Å; L148-Q226 HydrophobicContact CD1-CG 3.76Å; L222-Q226 WeakPolarHBondContact O-CB 3.16Å; L222-Q226 WeakPolarHBondContact O-CG 3.27Å; L222-Q226 PolarHBondContact O-N 3.1Å; F223-Q226 PolarHBondContact O-N 3.13Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 3.01Å; Q226-V229 WeakPolarHBondContact O-CG2 3.33Å; Q226-V229 PolarHBondContact O-N 3.4Å; Q226-I230 VanDerWaalsContact O-CG1 3.3Å; Q226-I230 WeakPolarHBondContact O-CG1 3.42Å; Q226-I230 PolarHBondContact O-N 3.29Å |
| 227 | M | 96.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 17% | 0.172 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -39 | 175.7 | -170.4 | 54.4 | 65.5 | 0 | 0 | 111.5 | T145 F223 V229 I230 L231 F271 F275 | T145-M227 HydrophobicContact CG2-CE 3.92Å; F223-M227 HydrophobicContact CE2-CE 3.55Å; F223-M227 HydrophobicContact CZ-CB 4.37Å; F223-M227 HydrophobicContact CZ-CE 3.61Å; F223-M227 HydrophobicContact CZ-CG 4.46Å; F223-M227 WeakPolarHBondContact O-CB 3.46Å; F223-M227 PolarHBondContact O-N 3.3Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.46Å; M227-I230 PolarHBondContact O-N 3.42Å; M227-L231 HydrophobicContact CG-CD1 4.07Å; M227-L231 HydrophobicContact CG-CG 4.35Å; M227-L231 WeakPolarHBondContact O-CB 3.33Å; M227-L231 VanDerWaalsContact O-CG 3.24Å; M227-L231 WeakPolarHBondContact O-CG 3.3Å; M227-L231 PolarHBondContact O-N 3.47Å; M227-L231 HydrophobicContact SD-CG 4.25Å; M227-F271 HydrophobicContact CE-CE2 4.11Å; M227-F271 HydrophobicContact SD-CD2 4.11Å; M227-F271 HydrophobicContact SD-CE2 3.96Å; M227-F275 HydrophobicContact CE-CE2 4.27Å |
| 228 | K | 95.1 | Very high | 95.7 | Very high | 126 Ų | 126 | 49.7 Ų | 49.7 | 55% | 0.548 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 177.9 | -178 | 179.3 | 175.6 | -176 | 0 | 112.9 | F224 I225 Q226 R232 | F224-K228 WeakPolarHBondContact O-CB 3.39Å; F224-K228 PolarHBondContact O-N 3.4Å; I225-K228 WeakPolarHBondContact O-CB 3.2Å; I225-K228 PolarHBondContact O-N 3.29Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 3.01Å; K228-R232 VanDerWaalsContact CE-NH1 3.32Å; K228-R232 PolarHBondContact O-NH1 2.85Å; K228-R232 VanDerWaalsContact O-NH1 3.08Å |
| 229 | V | 93.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 49 Ų | 49 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.6 | -37.8 | 176.5 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | I225 Q226 M227 L231 R232 N233 K234 | I225-V229 PolarHBondContact O-N 2.97Å; Q226-V229 WeakPolarHBondContact O-CG2 3.33Å; Q226-V229 PolarHBondContact O-N 3.4Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.46Å; V229-L231 PolarHBondContact O-N 3.48Å; V229-R232 CarbonylContact O-C 3.42Å; V229-R232 PolarHBondContact O-N 3.36Å; V229-R232 VanDerWaalsContact O-N 3.1Å; V229-N233 PolarHBondContact O-N 2.93Å; V229-N233 VanDerWaalsContact O-N 3.11Å; V229-K234 CarbonylContact C-O 3.6Å; V229-K234 WeakPolarHBondContact CB-O 3.46Å; V229-K234 PolarHBondContact O-N 3.36Å |
| 230 | I | 95.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 175.3 | -68.6 | 167.9 | 0 | 0 | 0 | 111.3 | T145 Q226 M227 R232 N233 F271 V274 F275 | T145-I230 HydrophobicContact CG2-CD1 3.79Å; T145-I230 WeakPolarHBondContact OG1-CD1 3.3Å; Q226-I230 VanDerWaalsContact O-CG1 3.3Å; Q226-I230 WeakPolarHBondContact O-CG1 3.42Å; Q226-I230 PolarHBondContact O-N 3.29Å; M227-I230 PolarHBondContact O-N 3.42Å; I230-R232 PolarHBondContact O-N 3.04Å; I230-R232 VanDerWaalsContact O-N 3.15Å; I230-N233 WeakPolarHBondContact O-CA 3.33Å; I230-N233 PolarHBondContact O-N 3.39Å; I230-F271 HydrophobicContact CG2-CD2 4.22Å; I230-V274 HydrophobicContact CD1-CG1 4.35Å; I230-V274 HydrophobicContact CG1-CG2 4.33Å; I230-V274 HydrophobicContact CG2-CB 4.16Å; I230-V274 HydrophobicContact CG2-CG2 4.05Å; I230-F275 HydrophobicContact CD1-CE2 4.16Å |
| 231 | L | 96.6 | Very high | 94.9 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20 | 178.9 | -68.4 | 171 | 0 | 0 | 0 | 113.4 | M227 V229 R267 N270 F271 | M227-L231 HydrophobicContact CG-CD1 4.07Å; M227-L231 HydrophobicContact CG-CG 4.35Å; M227-L231 WeakPolarHBondContact O-CB 3.33Å; M227-L231 VanDerWaalsContact O-CG 3.24Å; M227-L231 WeakPolarHBondContact O-CG 3.3Å; M227-L231 PolarHBondContact O-N 3.47Å; M227-L231 HydrophobicContact SD-CG 4.25Å; V229-L231 PolarHBondContact O-N 3.48Å; L231-R267 HydrophobicContact CD2-CB 4.19Å; L231-N270 WeakPolarHBondContact O-CB 3.49Å; L231-N270 PolarHBondContact O-ND2 2.88Å; L231-F271 HydrophobicContact CD2-CB 4.34Å; L231-F271 HydrophobicContact CD2-CD2 4.35Å |
| 232 | R | 95.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 49.9 Ų | 49.9 | 41% | 0.408 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 5.2 | 173.3 | -63.4 | -171 | 177.8 | 79.2 | -3.2 | 113.3 | K228 V229 I230 K234 | K228-R232 VanDerWaalsContact CE-NH1 3.32Å; K228-R232 PolarHBondContact O-NH1 2.85Å; K228-R232 VanDerWaalsContact O-NH1 3.08Å; V229-R232 CarbonylContact O-C 3.42Å; V229-R232 PolarHBondContact O-N 3.36Å; V229-R232 VanDerWaalsContact O-N 3.1Å; I230-R232 PolarHBondContact O-N 3.04Å; I230-R232 VanDerWaalsContact O-N 3.15Å; R232-K234 HydrophobicContact CB-CD 3.98Å; R232-K234 HydrophobicContact CB-CG 4.31Å; R232-K234 WeakPolarHBondContact O-CG 3.44Å; R232-K234 PolarHBondContact O-N 3.47Å |
| 233 | N | 96.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.011 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 38.2 | -172.3 | -161.2 | 0.5 | 0 | 0 | 0 | 113.9 | R111 V229 I230 Y262 N270 | R111-N233 PolarHBondContact NH1-OD1 2.99Å; R111-N233 VanDerWaalsContact NH1-OD1 3.12Å; R111-N233 PolarHBondContact NH2-O 2.83Å; R111-N233 PolarHBondContact NH2-OD1 2.84Å; V229-N233 PolarHBondContact O-N 2.93Å; V229-N233 VanDerWaalsContact O-N 3.11Å; I230-N233 WeakPolarHBondContact O-CA 3.33Å; I230-N233 PolarHBondContact O-N 3.39Å; N233-Y262 WeakPolarHBondContact CB-O 3.42Å; N233-Y262 VanDerWaalsContact CG-O 3.31Å; N233-Y262 PolarHBondContact ND2-O 3.48Å; N233-N270 HydrophobicContact CB-CB 3.81Å |
| 234 | K | 95 | Very high | 94.1 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | trans | -110.7 | 152.1 | 179 | -74.2 | 166.7 | -168.6 | -177.9 | 0 | 110 | V229 R232 E238 E242 F260 | V229-K234 CarbonylContact C-O 3.6Å; V229-K234 WeakPolarHBondContact CB-O 3.46Å; V229-K234 PolarHBondContact O-N 3.36Å; R232-K234 HydrophobicContact CB-CD 3.98Å; R232-K234 HydrophobicContact CB-CG 4.31Å; R232-K234 WeakPolarHBondContact O-CG 3.44Å; R232-K234 PolarHBondContact O-N 3.47Å; K234-E238 WeakPolarHBondContact CA-OE2 3.5Å; K234-E242 WeakPolarHBondContact CD-OE2 3.44Å; K234-E242 WeakPolarHBondContact CE-OE2 3.19Å; K234-E242 IonicContact NZ-OE1 3.07Å; K234-E242 PolarHBondContact NZ-OE1 3.01Å; K234-E242 IonicContact NZ-OE2 2.79Å; K234-E242 PolarHBondContact NZ-OE2 3.45Å; K234-F260 HydrophobicContact CB-CZ 4.38Å; K234-F260 HydrophobicContact CD-CD1 4.4Å; K234-F260 HydrophobicContact CD-CE1 4.27Å; K234-F260 HydrophobicContact CD-CZ 4.42Å; K234-F260 VanDerWaalsContact CE-CD1 3.45Å; K234-F260 HydrophobicContact CG-CD1 4Å; K234-F260 HydrophobicContact CG-CE1 3.4Å; K234-F260 VanDerWaalsContact CG-CE1 3.4Å; K234-F260 HydrophobicContact CG-CE2 4.05Å; K234-F260 HydrophobicContact CG-CZ 3.45Å; K234-F260 VanDerWaalsContact CG-CZ 3.45Å | ||
| 235 | T | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -93.7 | 166.4 | 156.6 | 75.6 | 0 | 0 | 0 | 0 | 110.5 | K124 M125 D126 I237 E238 S239 | K124-T235 HydrophobicContact CG-CG2 3.93Å; M125-T235 PolarHBondContact O-OG1 3.05Å; D126-T235 HydrophobicContact CB-CG2 4.46Å; D126-T235 WeakPolarHBondContact OD1-CA 3.39Å; D126-T235 WeakPolarHBondContact OD1-CB 3.34Å; T235-I237 VanDerWaalsContact C-N 3.27Å; T235-I237 PolarHBondContact O-N 3Å; T235-I237 PolarHBondContact OG1-N 3.49Å; T235-E238 HydrophobicContact CG2-CG 4.48Å; T235-E238 PolarHBondContact N-OE2 3.01Å; T235-E238 PolarHBondContact O-N 3.24Å; T235-E238 WeakPolarHBondContact OG1-CG 3.06Å; T235-E238 PolarHBondContact OG1-N 2.81Å; T235-E238 VanDerWaalsContact OG1-N 3.12Å; T235-S239 PolarHBondContact O-N 2.9Å; T235-S239 PolarHBondContact O-OG 3Å | ||
| 236 | S | 90.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.9 | -39.6 | 171 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | D126 W240 | D126-S236 PolarHBondContact O-OG 3.17Å; D126-S236 WeakPolarHBondContact OD1-CB 3.37Å; D126-S236 PolarHBondContact OD1-N 3.01Å; D126-S236 PolarHBondContact OD1-OG 3.36Å; S236-W240 PolarHBondContact O-N 3.15Å |
| 237 | I | 93.6 | Very high | 93.2 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.7 | -54.9 | 177.8 | 0 | 0 | 0 | 110.7 | H113 M125 D126 T235 W240 I241 | H113-I237 HydrophobicContact CB-CD1 4.13Å; H113-I237 WeakPolarHBondContact CE1-CG2 3.14Å; M125-I237 HydrophobicContact CB-CD1 4.23Å; M125-I237 HydrophobicContact CE-CD1 4.43Å; M125-I237 HydrophobicContact CG-CD1 4Å; M125-I237 WeakPolarHBondContact O-CD1 3.3Å; M125-I237 HydrophobicContact SD-CD1 4.23Å; D126-I237 WeakPolarHBondContact O-CD1 3.46Å; D126-I237 WeakPolarHBondContact O-CG1 3.38Å; T235-I237 VanDerWaalsContact C-N 3.27Å; T235-I237 PolarHBondContact O-N 3Å; T235-I237 PolarHBondContact OG1-N 3.49Å; I237-W240 PolarHBondContact O-N 2.86Å; I237-I241 HydrophobicContact CG2-CD1 3.84Å; I237-I241 WeakPolarHBondContact O-CD1 3.26Å; I237-I241 VanDerWaalsContact O-CG1 3.31Å; I237-I241 WeakPolarHBondContact O-CG1 3.4Å; I237-I241 PolarHBondContact O-N 3.45Å; I237-I241 VanDerWaalsContact O-N 3.08Å |
| 238 | E | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | -179.2 | -70.2 | 172.3 | 167 | 0 | 0 | 112.8 | R111 K234 T235 W240 I241 E242 F260 L299 | R111-E238 WeakPolarHBondContact CB-OE1 3.45Å; R111-E238 WeakPolarHBondContact CG-OE1 3.39Å; R111-E238 IonicContact CZ-OE1 2.74Å; R111-E238 IonicContact CZ-OE2 3.32Å; R111-E238 IonicContact NE-OE1 2.62Å; R111-E238 PolarHBondContact NE-OE1 3.22Å; R111-E238 IonicContact NE-OE2 3.53Å; R111-E238 IonicContact NH2-OE1 2.89Å; R111-E238 PolarHBondContact NH2-OE1 2.97Å; R111-E238 IonicContact NH2-OE2 2.61Å; R111-E238 PolarHBondContact NH2-OE2 2.91Å; K234-E238 WeakPolarHBondContact CA-OE2 3.5Å; T235-E238 HydrophobicContact CG2-CG 4.48Å; T235-E238 PolarHBondContact N-OE2 3.01Å; T235-E238 PolarHBondContact O-N 3.24Å; T235-E238 WeakPolarHBondContact OG1-CG 3.06Å; T235-E238 PolarHBondContact OG1-N 2.81Å; T235-E238 VanDerWaalsContact OG1-N 3.12Å; E238-W240 PolarHBondContact O-N 3.01Å; E238-I241 PolarHBondContact O-N 3.37Å; E238-I241 VanDerWaalsContact O-N 3.14Å; E238-E242 PolarHBondContact O-N 3.26Å; E238-F260 HydrophobicContact CB-CE2 4.01Å; E238-F260 HydrophobicContact CB-CZ 4.09Å; E238-L299 HydrophobicContact CB-CD2 4.5Å; E238-L299 HydrophobicContact CG-CD2 3.79Å |
| 239 | S | 92.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 175.4 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | T235 E242 E243 | T235-S239 PolarHBondContact O-N 2.9Å; T235-S239 PolarHBondContact O-OG 3Å; S239-E242 PolarHBondContact O-N 3.32Å; S239-E243 WeakPolarHBondContact O-CB 3.12Å; S239-E243 PolarHBondContact O-N 3.29Å |
| 240 | W | 90.7 | Very high | 92 | Very high | 143 Ų | 143 | 51.2 Ų | 51.2 | 54% | 0.542 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.6 | -32.1 | 177.2 | -166.4 | 71.6 | 0 | 0 | 0 | 113.4 | S236 I237 E238 K244 | S236-W240 PolarHBondContact O-N 3.15Å; I237-W240 PolarHBondContact O-N 2.86Å; E238-W240 PolarHBondContact O-N 3.01Å; W240-K244 HydrophobicContact CD2-CD 3.89Å; W240-K244 HydrophobicContact CD2-CG 4.45Å; W240-K244 HydrophobicContact CE3-CD 3.63Å; W240-K244 HydrophobicContact CH2-CD 4.02Å; W240-K244 HydrophobicContact CZ2-CD 4.12Å; W240-K244 VanDerWaalsContact CZ2-NZ 3.35Å; W240-K244 HydrophobicContact CZ3-CD 3.71Å; W240-K244 VanDerWaalsContact CZ3-CE 3.41Å; W240-K244 WeakPolarHBondContact O-CB 3.48Å; W240-K244 VanDerWaalsContact O-CG 3.28Å; W240-K244 WeakPolarHBondContact O-CG 3.43Å; W240-K244 PolarHBondContact O-N 2.88Å; W240-K244 VanDerWaalsContact O-N 3.09Å |
| 241 | I | 92.7 | Very high | 91.5 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 174.8 | -66.6 | 154.6 | 0 | 0 | 0 | 110.6 | I237 E238 K244 A245 L299 Q303 Q306 | I237-I241 HydrophobicContact CG2-CD1 3.84Å; I237-I241 WeakPolarHBondContact O-CD1 3.26Å; I237-I241 VanDerWaalsContact O-CG1 3.31Å; I237-I241 WeakPolarHBondContact O-CG1 3.4Å; I237-I241 PolarHBondContact O-N 3.45Å; I237-I241 VanDerWaalsContact O-N 3.08Å; E238-I241 PolarHBondContact O-N 3.37Å; E238-I241 VanDerWaalsContact O-N 3.14Å; I241-K244 PolarHBondContact O-N 3.16Å; I241-A245 WeakPolarHBondContact O-CB 3.29Å; I241-A245 PolarHBondContact O-N 3.41Å; I241-L299 HydrophobicContact CB-CD1 4.32Å; I241-L299 HydrophobicContact CG2-CD1 3.59Å; I241-L299 HydrophobicContact CG2-CG 4.28Å; I241-Q303 HydrophobicContact CD1-CG 3.96Å; I241-Q303 HydrophobicContact CG1-CG 4.22Å; I241-Q303 HydrophobicContact CG2-CG 3.86Å; I241-Q306 PolarHBondContact O-NE2 3.04Å |
| 242 | E | 93.6 | Very high | 90.9 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 176.7 | 179.7 | -168.6 | 178.6 | 0 | 0 | 111.7 | K234 E238 S239 K244 A245 K246 F258 | K234-E242 WeakPolarHBondContact CD-OE2 3.44Å; K234-E242 WeakPolarHBondContact CE-OE2 3.19Å; K234-E242 IonicContact NZ-OE1 3.07Å; K234-E242 PolarHBondContact NZ-OE1 3.01Å; K234-E242 IonicContact NZ-OE2 2.79Å; K234-E242 PolarHBondContact NZ-OE2 3.45Å; E238-E242 PolarHBondContact O-N 3.26Å; S239-E242 PolarHBondContact O-N 3.32Å; E242-K244 VanDerWaalsContact C-N 3.27Å; E242-K244 PolarHBondContact O-N 2.96Å; E242-A245 WeakPolarHBondContact O-CB 3.45Å; E242-A245 PolarHBondContact O-N 2.91Å; E242-A245 VanDerWaalsContact O-N 3.09Å; E242-K246 WeakPolarHBondContact O-CG 3.23Å; E242-K246 PolarHBondContact O-N 3.19Å; E242-K246 WeakPolarHBondContact OE1-CE 3.43Å; E242-K246 IonicContact OE1-NZ 3.74Å; E242-K246 PolarHBondContact OE1-NZ 3.09Å; E242-F258 HydrophobicContact CB-CE1 4.12Å; E242-F258 HydrophobicContact CG-CD1 4.01Å; E242-F258 HydrophobicContact CG-CE1 3.95Å |
| 243 | E | 90.3 | Very high | 90.5 | Very high | 113 Ų | 113 | 64 Ų | 64 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.6 | -46.3 | 175.9 | -173.5 | 175.7 | -166.3 | 0 | 0 | 110.6 | S239 A245 K246 D247 | S239-E243 WeakPolarHBondContact O-CB 3.12Å; S239-E243 PolarHBondContact O-N 3.29Å; E243-A245 VanDerWaalsContact C-N 3.34Å; E243-A245 PolarHBondContact O-N 3.15Å; E243-K246 WeakPolarHBondContact O-CB 3.42Å; E243-K246 PolarHBondContact O-N 3.11Å; E243-D247 PolarHBondContact O-N 2.66Å |
| 244 | K | 90 | Very high | 89.8 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 174.7 | -78.8 | -179.8 | 153.2 | -164 | 0 | 115.2 | W240 I241 E242 K246 R248 | W240-K244 HydrophobicContact CD2-CD 3.89Å; W240-K244 HydrophobicContact CD2-CG 4.45Å; W240-K244 HydrophobicContact CE3-CD 3.63Å; W240-K244 HydrophobicContact CH2-CD 4.02Å; W240-K244 HydrophobicContact CZ2-CD 4.12Å; W240-K244 VanDerWaalsContact CZ2-NZ 3.35Å; W240-K244 HydrophobicContact CZ3-CD 3.71Å; W240-K244 VanDerWaalsContact CZ3-CE 3.41Å; W240-K244 WeakPolarHBondContact O-CB 3.48Å; W240-K244 VanDerWaalsContact O-CG 3.28Å; W240-K244 WeakPolarHBondContact O-CG 3.43Å; W240-K244 PolarHBondContact O-N 2.88Å; W240-K244 VanDerWaalsContact O-N 3.09Å; I241-K244 PolarHBondContact O-N 3.16Å; E242-K244 VanDerWaalsContact C-N 3.27Å; E242-K244 PolarHBondContact O-N 2.96Å; K244-K246 VanDerWaalsContact C-N 3.33Å; K244-R248 WeakPolarHBondContact O-CB 3.33Å; K244-R248 PolarHBondContact O-N 3.34Å |
| 245 | A | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I241 E242 E243 R248 I249 F258 E302 | I241-A245 WeakPolarHBondContact O-CB 3.29Å; I241-A245 PolarHBondContact O-N 3.41Å; E242-A245 WeakPolarHBondContact O-CB 3.45Å; E242-A245 PolarHBondContact O-N 2.91Å; E242-A245 VanDerWaalsContact O-N 3.09Å; E243-A245 VanDerWaalsContact C-N 3.34Å; E243-A245 PolarHBondContact O-N 3.15Å; A245-R248 PolarHBondContact O-N 3.41Å; A245-I249 WeakPolarHBondContact O-CD1 3.49Å; A245-I249 VanDerWaalsContact O-CG1 3.26Å; A245-I249 WeakPolarHBondContact O-CG1 3.22Å; A245-I249 PolarHBondContact O-N 3.32Å; A245-F258 HydrophobicContact CB-CB 4.27Å; A245-F258 HydrophobicContact CB-CD1 3.86Å; A245-F258 HydrophobicContact CB-CD2 3.99Å; A245-F258 HydrophobicContact CB-CE1 4.18Å; A245-F258 HydrophobicContact CB-CE2 4.31Å; A245-F258 HydrophobicContact CB-CG 3.75Å; A245-F258 HydrophobicContact CB-CZ 4.4Å; A245-E302 HydrophobicContact CB-CG 3.75Å |
| 246 | K | 89.8 | Confident | 88.8 | Confident | 104 Ų | 104 | 73.8 Ų | 73.8 | 45% | 0.452 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.5 | -67.1 | 175 | -174.8 | 170.3 | 0 | 111.6 | E242 E243 K244 R248 I249 Q250 | E242-K246 WeakPolarHBondContact O-CG 3.23Å; E242-K246 PolarHBondContact O-N 3.19Å; E242-K246 WeakPolarHBondContact OE1-CE 3.43Å; E242-K246 IonicContact OE1-NZ 3.74Å; E242-K246 PolarHBondContact OE1-NZ 3.09Å; E243-K246 WeakPolarHBondContact O-CB 3.42Å; E243-K246 PolarHBondContact O-N 3.11Å; K244-K246 VanDerWaalsContact C-N 3.33Å; K246-R248 VanDerWaalsContact C-N 3.32Å; K246-R248 PolarHBondContact O-N 2.88Å; K246-I249 PolarHBondContact O-N 2.81Å; K246-Q250 WeakPolarHBondContact O-CB 3.47Å; K246-Q250 PolarHBondContact O-N 3.1Å |
| 247 | D | 86.7 | Confident | 88.6 | Confident | 89 Ų | 89 | 79.1 Ų | 79.1 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 176.3 | -72.4 | -7.2 | 0 | 0 | 0 | 112 | E243 Q250 H251 | E243-D247 PolarHBondContact O-N 2.66Å; D247-Q250 PolarHBondContact O-N 3.25Å; D247-H251 WeakPolarHBondContact O-CB 3.48Å; D247-H251 PolarHBondContact O-N 2.87Å |
| 248 | R | 88.1 | Confident | 88.5 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 13% | 0.125 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 177 | -179.8 | -175.1 | 69.3 | 74.9 | 0.1 | 110.9 | K244 A245 K246 Q250 H251 Y252 E256 E302 D309 | K244-R248 WeakPolarHBondContact O-CB 3.33Å; K244-R248 PolarHBondContact O-N 3.34Å; A245-R248 PolarHBondContact O-N 3.41Å; K246-R248 VanDerWaalsContact C-N 3.32Å; K246-R248 PolarHBondContact O-N 2.88Å; R248-Q250 VanDerWaalsContact C-N 3.33Å; R248-Q250 PolarHBondContact O-N 3.38Å; R248-H251 PolarHBondContact O-N 3.46Å; R248-Y252 HydrophobicContact CG-CD2 3.69Å; R248-Y252 HydrophobicContact CG-CE2 3.87Å; R248-Y252 VanDerWaalsContact O-CD2 3.27Å; R248-Y252 WeakPolarHBondContact O-CD2 3.46Å; R248-Y252 PolarHBondContact O-N 2.96Å; R248-E256 IonicContact CZ-OE2 3.5Å; R248-E256 IonicContact NH1-OE2 2.74Å; R248-E256 IonicContact NH2-OE2 3.58Å; R248-E256 PolarHBondContact NH2-OE2 3.07Å; R248-E302 IonicContact CZ-OE1 3.28Å; R248-E302 IonicContact CZ-OE2 3.76Å; R248-E302 IonicContact NE-OE1 3.93Å; R248-E302 PolarHBondContact NE-OE1 3.07Å; R248-E302 IonicContact NE-OE2 2.98Å; R248-E302 IonicContact NH2-OE1 3.61Å; R248-E302 IonicContact NH2-OE2 3.67Å; R248-E302 PolarHBondContact NH2-OE2 3.17Å; R248-D309 WeakPolarHBondContact CD-OD2 3.42Å |
| 249 | I | 86.6 | Confident | 88.4 | Confident | 22 Ų | 22 | 81 Ų | 81 | 11% | 0.113 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 179.9 | -71.9 | 166.3 | 0 | 0 | 0 | 110.6 | A245 K246 Q253 T254 E256 F258 | A245-I249 WeakPolarHBondContact O-CD1 3.49Å; A245-I249 VanDerWaalsContact O-CG1 3.26Å; A245-I249 WeakPolarHBondContact O-CG1 3.22Å; A245-I249 PolarHBondContact O-N 3.32Å; K246-I249 PolarHBondContact O-N 2.81Å; I249-Q253 WeakPolarHBondContact O-CA 3.19Å; I249-Q253 PolarHBondContact O-N 2.95Å; I249-T254 PolarHBondContact O-N 3.25Å; I249-E256 HydrophobicContact CD1-CB 4.19Å; I249-E256 HydrophobicContact CG1-CB 4.23Å; I249-E256 WeakPolarHBondContact CG2-O 3.39Å; I249-F258 HydrophobicContact CD1-CB 3.68Å |
| 250 | Q | 85.8 | Confident | 88.5 | Confident | 149 Ų | 149 | 79.7 Ų | 79.7 | 70% | 0.696 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 177.5 | -173.8 | 178.7 | 7.1 | 0 | 0 | 111.7 | K246 D247 R248 Q253 | K246-Q250 WeakPolarHBondContact O-CB 3.47Å; K246-Q250 PolarHBondContact O-N 3.1Å; D247-Q250 PolarHBondContact O-N 3.25Å; R248-Q250 VanDerWaalsContact C-N 3.33Å; R248-Q250 PolarHBondContact O-N 3.38Å; Q250-Q253 PolarHBondContact O-N 3.31Å |
| 251 | H | 85 | Confident | 88.7 | Confident | 139 Ų | 139 | 72.9 Ų | 72.9 | 64% | 0.644 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | -179.1 | -176.3 | 68.5 | 0 | 0 | 0 | 112.8 | D247 R248 | D247-H251 WeakPolarHBondContact O-CB 3.48Å; D247-H251 PolarHBondContact O-N 2.87Å; R248-H251 PolarHBondContact O-N 3.46Å |
| 252 | Y | 85.2 | Confident | 88.9 | Confident | 118 Ų | 118 | 72.5 Ų | 72.5 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -90.4 | -3.6 | -180 | -68.6 | -66.5 | 0 | 0 | 0 | 113.6 | R248 T254 | R248-Y252 HydrophobicContact CG-CD2 3.69Å; R248-Y252 HydrophobicContact CG-CE2 3.87Å; R248-Y252 VanDerWaalsContact O-CD2 3.27Å; R248-Y252 WeakPolarHBondContact O-CD2 3.46Å; R248-Y252 PolarHBondContact O-N 2.96Å; Y252-T254 PolarHBondContact O-N 3.33Å; Y252-T254 VanDerWaalsContact O-N 3.16Å |
| 253 | Q | 86.3 | Confident | 88.9 | Confident | 173 Ų | 173 | 73.9 Ų | 73.9 | 81% | 0.808 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.8 | -178.8 | -59.8 | 179.5 | -19.2 | 0 | 0 | 112.9 | I249 Q250 G255 | I249-Q253 WeakPolarHBondContact O-CA 3.19Å; I249-Q253 PolarHBondContact O-N 2.95Å; Q250-Q253 PolarHBondContact O-N 3.31Å; Q253-G255 PolarHBondContact O-N 2.79Å; Q253-G255 VanDerWaalsContact O-N 3.16Å |
| 254 | T | 80.8 | Confident | 89.1 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 39% | 0.387 | 35% | 0.352 | S | S | . | . | trans | -70.1 | -13.2 | -173.1 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | I249 Y252 E256 | I249-T254 PolarHBondContact O-N 3.25Å; Y252-T254 PolarHBondContact O-N 3.33Å; Y252-T254 VanDerWaalsContact O-N 3.16Å; T254-E256 PolarHBondContact O-N 3.5Å; T254-E256 VanDerWaalsContact O-N 3.15Å | ||
| 255 | G | 82.4 | Confident | 89.1 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | trans | 67.5 | 4.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q253 | Q253-G255 PolarHBondContact O-N 2.79Å; Q253-G255 VanDerWaalsContact O-N 3.16Å | ||
| 256 | E | 87.2 | Confident | 89.2 | Confident | 90 Ų | 90 | 71.6 Ų | 71.6 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | trans | -69.7 | 143.3 | 176.9 | -65.8 | 178.7 | 155.5 | 0 | 0 | 110.7 | R248 I249 T254 | R248-E256 IonicContact CZ-OE2 3.5Å; R248-E256 IonicContact NH1-OE2 2.74Å; R248-E256 IonicContact NH2-OE2 3.58Å; R248-E256 PolarHBondContact NH2-OE2 3.07Å; I249-E256 HydrophobicContact CD1-CB 4.19Å; I249-E256 HydrophobicContact CG1-CB 4.23Å; I249-E256 WeakPolarHBondContact CG2-O 3.39Å; T254-E256 PolarHBondContact O-N 3.5Å; T254-E256 VanDerWaalsContact O-N 3.15Å | ||
| 257 | E | 86.9 | Confident | 89.5 | Confident | 166 Ų | 166 | 75.2 Ų | 75.2 | 78% | 0.776 | 40% | 0.395 | S | S | * | . | trans | -103.2 | 121.9 | 167.7 | -170.9 | -176.4 | -177.6 | 0 | 0 | 109.8 | I259 | E257-I259 PolarHBondContact O-N 3.32Š| ||
| 258 | F | 90.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 15% | 0.145 | 40% | 0.401 | C | S | . | . | trans | -87.7 | 106.9 | 174.9 | -176.7 | -101.4 | 0 | 0 | 0 | 111.3 | E242 A245 I249 F260 L299 E302 | E242-F258 HydrophobicContact CB-CE1 4.12Å; E242-F258 HydrophobicContact CG-CD1 4.01Å; E242-F258 HydrophobicContact CG-CE1 3.95Å; A245-F258 HydrophobicContact CB-CB 4.27Å; A245-F258 HydrophobicContact CB-CD1 3.86Å; A245-F258 HydrophobicContact CB-CD2 3.99Å; A245-F258 HydrophobicContact CB-CE1 4.18Å; A245-F258 HydrophobicContact CB-CE2 4.31Å; A245-F258 HydrophobicContact CB-CG 3.75Å; A245-F258 HydrophobicContact CB-CZ 4.4Å; I249-F258 HydrophobicContact CD1-CB 3.68Å; F258-F260 HydrophobicContact CE1-CD2 4.48Å; F258-L299 HydrophobicContact CZ-CD1 3.92Å; F258-E302 HydrophobicContact CD2-CG 4.33Å; F258-E302 HydrophobicContact CE2-CB 3.89Å; F258-E302 HydrophobicContact CE2-CG 3.82Å; F258-E302 HydrophobicContact CZ-CG 4.35Å | ||
| 259 | I | 93.1 | Very high | 90.1 | Very high | 47 Ų | 47 | 81.3 Ų | 81.3 | 24% | 0.241 | 42% | 0.418 | C | S | . | . | trans | -90.9 | 125.3 | 174.3 | -56.2 | 177.2 | 0 | 0 | 0 | 109.4 | E257 K293 | E257-I259 PolarHBondContact O-N 3.32Å; I259-K293 HydrophobicContact CD1-CB 4.15Å; I259-K293 HydrophobicContact CD1-CD 3.67Å | ||
| 260 | F | 95.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 80.3 Ų | 80.3 | 5% | 0.053 | 41% | 0.413 | C | S | . | . | trans | -72.8 | 121.9 | 178.7 | -175.4 | -103.2 | 0 | 0 | 0 | 110.9 | K234 E238 F258 Y262 D263 L299 | K234-F260 HydrophobicContact CB-CZ 4.38Å; K234-F260 HydrophobicContact CD-CD1 4.4Å; K234-F260 HydrophobicContact CD-CE1 4.27Å; K234-F260 HydrophobicContact CD-CZ 4.42Å; K234-F260 VanDerWaalsContact CE-CD1 3.45Å; K234-F260 HydrophobicContact CG-CD1 4Å; K234-F260 HydrophobicContact CG-CE1 3.4Å; K234-F260 VanDerWaalsContact CG-CE1 3.4Å; K234-F260 HydrophobicContact CG-CE2 4.05Å; K234-F260 HydrophobicContact CG-CZ 3.45Å; K234-F260 VanDerWaalsContact CG-CZ 3.45Å; E238-F260 HydrophobicContact CB-CE2 4.01Å; E238-F260 HydrophobicContact CB-CZ 4.09Å; F258-F260 HydrophobicContact CE1-CD2 4.48Å; F260-Y262 HydrophobicContact CE1-CD2 4.07Å; F260-Y262 HydrophobicContact CE1-CG 4.4Å; F260-Y262 HydrophobicContact CE2-CD2 4.37Å; F260-Y262 AromaticContact CZ-CD2 3.73Å; F260-Y262 HydrophobicContact CZ-CD2 3.73Å; F260-Y262 HydrophobicContact CZ-CG 4.48Å; F260-Y262 PolarHBondContact O-N 2.89Å; F260-D263 HydrophobicContact CD1-CB 4.12Å; F260-L299 HydrophobicContact CE2-CD1 4.24Å; F260-L299 HydrophobicContact CE2-CD2 4.48Å | ||
| 261 | P | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -24 | -165.1 | 26 | -34.7 | 0 | 0 | 0 | 114.7 | V290 H291 C294 L299 | P261-V290 HydrophobicContact CB-CG1 4.46Å; P261-V290 CarbonylContact O-C 3.48Å; P261-V290 WeakPolarHBondContact O-CA 3.32Å; P261-H291 PolarHBondContact O-N 2.99Å; P261-C294 HydrophobicContact CB-CB 3.67Å; P261-L299 HydrophobicContact CG-CB 3.9Å |
| 262 | Y | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.3 | -173.6 | -50.5 | -66.7 | 0 | 0 | 0 | 113.7 | R111 N233 F260 L264 W288 V290 Q296 L299 | R111-Y262 HydrophobicContact CG-CD2 4.08Å; R111-Y262 HydrophobicContact CG-CE1 3.98Å; R111-Y262 HydrophobicContact CG-CE2 3.4Å; R111-Y262 VanDerWaalsContact CG-CE2 3.4Å; R111-Y262 WeakPolarHBondContact CG-OH 3.47Å; N233-Y262 WeakPolarHBondContact CB-O 3.42Å; N233-Y262 VanDerWaalsContact CG-O 3.31Å; N233-Y262 PolarHBondContact ND2-O 3.48Å; F260-Y262 HydrophobicContact CE1-CD2 4.07Å; F260-Y262 HydrophobicContact CE1-CG 4.4Å; F260-Y262 HydrophobicContact CE2-CD2 4.37Å; F260-Y262 AromaticContact CZ-CD2 3.73Å; F260-Y262 HydrophobicContact CZ-CD2 3.73Å; F260-Y262 HydrophobicContact CZ-CG 4.48Å; F260-Y262 PolarHBondContact O-N 2.89Å; Y262-L264 PolarHBondContact O-N 3.38Å; Y262-W288 HydrophobicContact CD1-CB 3.79Å; Y262-W288 HydrophobicContact CD1-CG 4.33Å; Y262-W288 HydrophobicContact CE1-CB 3.64Å; Y262-W288 AromaticContact CE1-CG 3.96Å; Y262-W288 HydrophobicContact CE1-CG 3.96Å; Y262-V290 HydrophobicContact CD1-CG1 4.02Å; Y262-V290 HydrophobicContact CE1-CG1 3.9Å; Y262-Q296 PolarHBondContact OH-O 3.08Å; Y262-L299 HydrophobicContact CE2-CB 4.16Å; Y262-L299 HydrophobicContact CE2-CD2 3.84Å |
| 263 | D | 94.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 68.1 Ų | 68.1 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | trans | -77.1 | 116.9 | 172.1 | -166.2 | -10.9 | 0 | 0 | 0 | 109.5 | F260 G265 N270 | F260-D263 HydrophobicContact CD1-CB 4.12Å; D263-G265 PolarHBondContact O-N 3.4Å; D263-G265 PolarHBondContact OD1-N 3.03Å; D263-G265 VanDerWaalsContact OD1-N 3.15Å; D263-N270 PolarHBondContact OD1-ND2 3.15Å | ||
| 264 | L | 93.9 | Very high | 92.1 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | trans | -86.7 | 11.1 | -176.4 | -54.3 | -179.1 | 0 | 0 | 0 | 112.7 | Y262 G266 L269 N270 Q273 P289 | Y262-L264 PolarHBondContact O-N 3.38Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 2.96Å; L264-L269 HydrophobicContact CB-CB 3.96Å; L264-L269 HydrophobicContact CB-CD1 4.4Å; L264-L269 HydrophobicContact CD1-CB 4.28Å; L264-N270 WeakPolarHBondContact CB-OD1 3.31Å; L264-N270 PolarHBondContact N-OD1 3.18Å; L264-Q273 HydrophobicContact CD1-CG 4.04Å; L264-P289 HydrophobicContact CD1-CB 4.41Å; L264-P289 HydrophobicContact CD1-CG 4.13Å; L264-P289 HydrophobicContact CD2-CB 3.89Å; L264-P289 HydrophobicContact CD2-CG 4.2Å | ||
| 265 | G | 90.1 | Very high | 92.7 | Very high | 72 Ų | 72 | 59.2 Ų | 59.2 | 74% | 0.742 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 83.6 | -11.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D263 | D263-G265 PolarHBondContact O-N 3.4Å; D263-G265 PolarHBondContact OD1-N 3.03Å; D263-G265 VanDerWaalsContact OD1-N 3.15Å |
| 266 | G | 93.3 | Very high | 93 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 24% | 0.237 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -135.5 | 131.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | L264 W268 L269 N270 | L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 2.96Å; G266-W268 PolarHBondContact O-N 3.42Å; G266-L269 WeakPolarHBondContact O-CB 3.45Å; G266-L269 PolarHBondContact O-N 3.43Å; G266-N270 PolarHBondContact O-N 3.21Å |
| 267 | R | 94.9 | Very high | 92.8 | Very high | 181 Ų | 181 | 65.8 Ų | 65.8 | 68% | 0.683 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -55.2 | -37.3 | 178.8 | -68 | -172.5 | -174.8 | 174.1 | 4.4 | 112.9 | L231 F271 | L231-R267 HydrophobicContact CD2-CB 4.19Å; R267-F271 WeakPolarHBondContact O-CB 3.19Å; R267-F271 PolarHBondContact O-N 2.85Å |
| 268 | W | 94 | Very high | 92.5 | Very high | 158 Ų | 158 | 62.1 Ų | 62.1 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.7 | -37.7 | 177.6 | -176.2 | -126 | 0 | 0 | 0 | 113.2 | G266 N270 F271 K272 | G266-W268 PolarHBondContact O-N 3.42Å; W268-N270 VanDerWaalsContact C-N 3.32Å; W268-F271 HydrophobicContact CE3-CB 4.36Å; W268-F271 AromaticContact CE3-CD1 3.81Å; W268-F271 HydrophobicContact CE3-CD1 3.81Å; W268-F271 HydrophobicContact CE3-CG 4.34Å; W268-F271 HydrophobicContact CH2-CD1 4.31Å; W268-F271 HydrophobicContact CH2-CE1 4.4Å; W268-F271 AromaticContact CZ3-CD1 3.5Å; W268-F271 HydrophobicContact CZ3-CD1 3.5Å; W268-F271 VanDerWaalsContact CZ3-CD1 3.5Å; W268-F271 AromaticContact CZ3-CE1 3.79Å; W268-F271 HydrophobicContact CZ3-CE1 3.79Å; W268-F271 HydrophobicContact CZ3-CG 4.37Å; W268-F271 PolarHBondContact O-N 2.88Å; W268-K272 VanDerWaalsContact NE1-NZ 3.17Å; W268-K272 WeakPolarHBondContact O-CB 3.49Å; W268-K272 WeakPolarHBondContact O-CG 3.34Å; W268-K272 PolarHBondContact O-N 3.12Å |
| 269 | L | 93.5 | Very high | 91.9 | Very high | 91 Ų | 91 | 62 Ų | 62 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.2 | -66 | 173.5 | 0 | 0 | 0 | 110.8 | L264 G266 | L264-L269 HydrophobicContact CB-CB 3.96Å; L264-L269 HydrophobicContact CB-CD1 4.4Å; L264-L269 HydrophobicContact CD1-CB 4.28Å; G266-L269 WeakPolarHBondContact O-CB 3.45Å; G266-L269 PolarHBondContact O-N 3.43Å |
| 270 | N | 95.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 174.7 | -68.8 | -16.8 | 0 | 0 | 0 | 111.7 | L231 N233 D263 L264 G266 W268 K272 Q273 | L231-N270 WeakPolarHBondContact O-CB 3.49Å; L231-N270 PolarHBondContact O-ND2 2.88Å; N233-N270 HydrophobicContact CB-CB 3.81Å; D263-N270 PolarHBondContact OD1-ND2 3.15Å; L264-N270 WeakPolarHBondContact CB-OD1 3.31Å; L264-N270 PolarHBondContact N-OD1 3.18Å; G266-N270 PolarHBondContact O-N 3.21Å; W268-N270 VanDerWaalsContact C-N 3.32Å; N270-K272 VanDerWaalsContact C-N 3.33Å; N270-K272 PolarHBondContact O-N 2.88Å; N270-Q273 VanDerWaalsContact O-CB 3.32Å; N270-Q273 WeakPolarHBondContact O-CB 3.49Å; N270-Q273 PolarHBondContact O-N 3.29Å; N270-Q273 VanDerWaalsContact O-N 3.1Å |
| 271 | F | 95.1 | Very high | 90.8 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -44 | 176.9 | -179 | -94.9 | 0 | 0 | 0 | 112.3 | M227 I230 L231 R267 W268 Q273 V274 F275 | M227-F271 HydrophobicContact CE-CE2 4.11Å; M227-F271 HydrophobicContact SD-CD2 4.11Å; M227-F271 HydrophobicContact SD-CE2 3.96Å; I230-F271 HydrophobicContact CG2-CD2 4.22Å; L231-F271 HydrophobicContact CD2-CB 4.34Å; L231-F271 HydrophobicContact CD2-CD2 4.35Å; R267-F271 WeakPolarHBondContact O-CB 3.19Å; R267-F271 PolarHBondContact O-N 2.85Å; W268-F271 HydrophobicContact CE3-CB 4.36Å; W268-F271 AromaticContact CE3-CD1 3.81Å; W268-F271 HydrophobicContact CE3-CD1 3.81Å; W268-F271 HydrophobicContact CE3-CG 4.34Å; W268-F271 HydrophobicContact CH2-CD1 4.31Å; W268-F271 HydrophobicContact CH2-CE1 4.4Å; W268-F271 AromaticContact CZ3-CD1 3.5Å; W268-F271 HydrophobicContact CZ3-CD1 3.5Å; W268-F271 VanDerWaalsContact CZ3-CD1 3.5Å; W268-F271 AromaticContact CZ3-CE1 3.79Å; W268-F271 HydrophobicContact CZ3-CE1 3.79Å; W268-F271 HydrophobicContact CZ3-CG 4.37Å; W268-F271 PolarHBondContact O-N 2.88Å; F271-Q273 PolarHBondContact O-N 3.39Å; F271-Q273 VanDerWaalsContact O-N 3.13Å; F271-V274 PolarHBondContact O-N 3.37Å; F271-F275 HydrophobicContact CD1-CB 4.07Å; F271-F275 HydrophobicContact CD1-CD2 4.43Å; F271-F275 AromaticContact CD2-CD2 3.8Å; F271-F275 HydrophobicContact CD2-CD2 3.8Å; F271-F275 HydrophobicContact CD2-CE2 4.32Å; F271-F275 HydrophobicContact CE1-CB 3.48Å; F271-F275 VanDerWaalsContact CE1-CB 3.48Å; F271-F275 AromaticContact CE1-CD2 3.96Å; F271-F275 HydrophobicContact CE1-CD2 3.96Å; F271-F275 AromaticContact CE1-CG 3.93Å; F271-F275 HydrophobicContact CE1-CG 3.93Å; F271-F275 HydrophobicContact CE2-CB 4.38Å; F271-F275 AromaticContact CE2-CD2 3.24Å; F271-F275 HydrophobicContact CE2-CD2 3.24Å; F271-F275 AromaticContact CE2-CE2 3.62Å; F271-F275 HydrophobicContact CE2-CE2 3.62Å; F271-F275 AromaticContact CE2-CG 3.97Å; F271-F275 HydrophobicContact CE2-CG 3.97Å; F271-F275 HydrophobicContact CG-CD2 4.36Å; F271-F275 HydrophobicContact CZ-CB 3.66Å; F271-F275 HydrophobicContact CZ-CD1 4.37Å; F271-F275 AromaticContact CZ-CD2 3.33Å; F271-F275 HydrophobicContact CZ-CD2 3.33Å; F271-F275 HydrophobicContact CZ-CE2 4Å; F271-F275 AromaticContact CZ-CG 3.53Å; F271-F275 HydrophobicContact CZ-CG 3.53Å; F271-F275 PolarHBondContact O-N 2.92Å |
| 272 | K | 93.8 | Very high | 90.2 | Very high | 93 Ų | 93 | 70.4 Ų | 70.4 | 40% | 0.404 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13.5 | 177.5 | -80.3 | 179.1 | 165.3 | 175.5 | 0 | 114.9 | W268 N270 V274 F275 | W268-K272 VanDerWaalsContact NE1-NZ 3.17Å; W268-K272 WeakPolarHBondContact O-CB 3.49Å; W268-K272 WeakPolarHBondContact O-CG 3.34Å; W268-K272 PolarHBondContact O-N 3.12Å; N270-K272 VanDerWaalsContact C-N 3.33Å; N270-K272 PolarHBondContact O-N 2.88Å; K272-V274 VanDerWaalsContact C-N 3.27Å; K272-F275 WeakPolarHBondContact CA-O 3.24Å |
| 273 | Q | 93.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25 | 172.3 | -63.2 | -63.3 | -46 | 0 | 0 | 112.1 | L264 N270 F271 | L264-Q273 HydrophobicContact CD1-CG 4.04Å; N270-Q273 VanDerWaalsContact O-CB 3.32Å; N270-Q273 WeakPolarHBondContact O-CB 3.49Å; N270-Q273 PolarHBondContact O-N 3.29Å; N270-Q273 VanDerWaalsContact O-N 3.1Å; F271-Q273 PolarHBondContact O-N 3.39Å; F271-Q273 VanDerWaalsContact O-N 3.13Å |
| 274 | V | 93.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -50.4 | 179.9 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | H141 A142 I230 F271 K272 | H141-V274 HydrophobicContact CB-CG1 3.98Å; A142-V274 HydrophobicContact CB-CG1 4Å; I230-V274 HydrophobicContact CD1-CG1 4.35Å; I230-V274 HydrophobicContact CG1-CG2 4.33Å; I230-V274 HydrophobicContact CG2-CB 4.16Å; I230-V274 HydrophobicContact CG2-CG2 4.05Å; F271-V274 PolarHBondContact O-N 3.37Å; K272-V274 VanDerWaalsContact C-N 3.27Å |
| 275 | F | 93.6 | Very high | 89.5 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 19% | 0.193 | 38% | 0.382 | C | S | . | . | trans | -99.1 | 117.3 | -177.2 | -68.9 | -82.9 | 0 | 0 | 0 | 111.2 | A142 T145 M227 I230 F271 K272 | A142-F275 HydrophobicContact CB-CD1 4.18Å; A142-F275 HydrophobicContact CB-CE1 4.18Å; T145-F275 HydrophobicContact CG2-CE2 4.1Å; T145-F275 HydrophobicContact CG2-CZ 3.68Å; M227-F275 HydrophobicContact CE-CE2 4.27Å; I230-F275 HydrophobicContact CD1-CE2 4.16Å; F271-F275 HydrophobicContact CD1-CB 4.07Å; F271-F275 HydrophobicContact CD1-CD2 4.43Å; F271-F275 AromaticContact CD2-CD2 3.8Å; F271-F275 HydrophobicContact CD2-CD2 3.8Å; F271-F275 HydrophobicContact CD2-CE2 4.32Å; F271-F275 HydrophobicContact CE1-CB 3.48Å; F271-F275 VanDerWaalsContact CE1-CB 3.48Å; F271-F275 AromaticContact CE1-CD2 3.96Å; F271-F275 HydrophobicContact CE1-CD2 3.96Å; F271-F275 AromaticContact CE1-CG 3.93Å; F271-F275 HydrophobicContact CE1-CG 3.93Å; F271-F275 HydrophobicContact CE2-CB 4.38Å; F271-F275 AromaticContact CE2-CD2 3.24Å; F271-F275 HydrophobicContact CE2-CD2 3.24Å; F271-F275 AromaticContact CE2-CE2 3.62Å; F271-F275 HydrophobicContact CE2-CE2 3.62Å; F271-F275 AromaticContact CE2-CG 3.97Å; F271-F275 HydrophobicContact CE2-CG 3.97Å; F271-F275 HydrophobicContact CG-CD2 4.36Å; F271-F275 HydrophobicContact CZ-CB 3.66Å; F271-F275 HydrophobicContact CZ-CD1 4.37Å; F271-F275 AromaticContact CZ-CD2 3.33Å; F271-F275 HydrophobicContact CZ-CD2 3.33Å; F271-F275 HydrophobicContact CZ-CE2 4Å; F271-F275 AromaticContact CZ-CG 3.53Å; F271-F275 HydrophobicContact CZ-CG 3.53Å; F271-F275 PolarHBondContact O-N 2.92Å; K272-F275 WeakPolarHBondContact CA-O 3.24Å | ||
| 276 | T | 89 | Confident | 89.7 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | trans | -126.2 | 156.4 | 177.8 | 65.4 | 0 | 0 | 0 | 0 | 110.1 | S278 G279 T280 | T276-S278 PolarHBondContact O-N 2.99Å; T276-S278 PolarHBondContact OG1-OG 3.49Å; T276-G279 PolarHBondContact O-N 2.92Å; T276-G279 PolarHBondContact OG1-N 3.17Å; T276-T280 WeakPolarHBondContact CB-O 3.36Å; T276-T280 VanDerWaalsContact CG2-O 3.31Å; T276-T280 WeakPolarHBondContact CG2-O 3.39Å; T276-T280 PolarHBondContact OG1-N 3.38Å; T276-T280 PolarHBondContact OG1-O 3.47Å | ||
| 277 | W | 82.6 | Confident | 89.7 | Confident | 262 Ų | 262 | 73.6 Ų | 73.6 | 99% | 0.992 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -25.8 | 176.3 | -71.1 | 102.5 | 0 | 0 | 0 | 113.3 | G279 | W277-G279 VanDerWaalsContact C-N 3.32Š|
| 278 | S | 82 | Confident | 89.7 | Confident | 89 Ų | 89 | 65.3 Ų | 65.3 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.1 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | T276 T280 | T276-S278 PolarHBondContact O-N 2.99Å; T276-S278 PolarHBondContact OG1-OG 3.49Å; S278-T280 PolarHBondContact O-N 3.34Å; S278-T280 PolarHBondContact OG-N 3.01Å; S278-T280 PolarHBondContact OG-OG1 3.15Å |
| 279 | G | 76.8 | Confident | 89.7 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 73.4 | 0.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T276 W277 | T276-G279 PolarHBondContact O-N 2.92Å; T276-G279 PolarHBondContact OG1-N 3.17Å; W277-G279 VanDerWaalsContact C-N 3.32Å |
| 280 | T | 81.9 | Confident | 89.8 | Confident | 86 Ų | 86 | 57.9 Ų | 57.9 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -106.5 | 127.1 | 176.2 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | T276 S278 | T276-T280 WeakPolarHBondContact CB-O 3.36Å; T276-T280 VanDerWaalsContact CG2-O 3.31Å; T276-T280 WeakPolarHBondContact CG2-O 3.39Å; T276-T280 PolarHBondContact OG1-N 3.38Å; T276-T280 PolarHBondContact OG1-O 3.47Å; S278-T280 PolarHBondContact O-N 3.34Å; S278-T280 PolarHBondContact OG-N 3.01Å; S278-T280 PolarHBondContact OG-OG1 3.15Å |
| 281 | P | 83.6 | Confident | 89.8 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -62.2 | 150.7 | 179.6 | 29.6 | -37.1 | 0 | 0 | 0 | 111 | H138 L139 | H138-P281 WeakPolarHBondContact O-CG 3.15Å; L139-P281 HydrophobicContact CD2-CG 3.97Å | ||
| 282 | K | 83.9 | Confident | 89.7 | Confident | 131 Ų | 131 | 64 Ų | 64 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -74 | 133 | -177.7 | -169.8 | 178.3 | -178.9 | 179.4 | 0 | 110.4 | H138 | H138-K282 PolarHBondContact CE1-O 3.02Š|
| 283 | G | 87.4 | Confident | 89.6 | Confident | 48 Ų | 48 | 67.4 Ų | 67.4 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 94.6 | 166.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | H138 G285 | H138-G283 PolarHBondContact NE2-O 2.91Å; G283-G285 VanDerWaalsContact C-N 3.31Å; G283-G285 PolarHBondContact O-N 3.48Å |
| 284 | D | 90.9 | Very high | 89.6 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | trans | -81.3 | -6.2 | -175.4 | 63.3 | -1.4 | 0 | 0 | 0 | 114.1 | I286 V287 | D284-I286 VanDerWaalsContact C-N 3.32Å; D284-I286 PolarHBondContact OD1-N 3.11Å; D284-V287 PolarHBondContact OD1-N 3.4Å | ||
| 285 | G | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 82.2 | 6.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H138 G283 W288 | H138-G285 VanDerWaalsContact CD2-CA 3.46Å; H138-G285 WeakPolarHBondContact CD2-CA 3.32Å; H138-G285 PolarHBondContact NE2-N 3.48Å; G283-G285 VanDerWaalsContact C-N 3.31Å; G283-G285 PolarHBondContact O-N 3.48Å; G285-W288 VanDerWaalsContact C-CZ2 3.44Å; G285-W288 WeakPolarHBondContact O-CZ2 3.43Å |
| 286 | I | 93.8 | Very high | 89.5 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -121.6 | -49 | -178.2 | -62.2 | 176.7 | 0 | 0 | 0 | 109.9 | I83 W87 A109 M123 D284 W288 | I83-I286 HydrophobicContact CD1-CG1 4.18Å; W87-I286 HydrophobicContact CH2-CG2 4.33Å; W87-I286 HydrophobicContact CZ2-CG2 3.6Å; A109-I286 HydrophobicContact CB-CB 4.5Å; A109-I286 HydrophobicContact CB-CG1 4.4Å; A109-I286 HydrophobicContact CB-CG2 4.04Å; M123-I286 HydrophobicContact CE-CG1 4.32Å; D284-I286 VanDerWaalsContact C-N 3.32Å; D284-I286 PolarHBondContact OD1-N 3.11Å; I286-W288 PolarHBondContact O-NE1 2.97Å |
| 287 | V | 93.8 | Very high | 89.8 | Confident | 83 Ų | 83 | 70.7 Ų | 70.7 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -104.6 | 133.9 | 178.8 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | D284 | D284-V287 PolarHBondContact OD1-N 3.4Š|
| 288 | W | 94.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | trans | -125.6 | 148.1 | -171.6 | -56.3 | 94.2 | 0 | 0 | 0 | 112 | P110 R111 K124 H138 Y262 G285 I286 V290 Q296 | P110-W288 PolarHBondContact O-NE1 3.07Å; P110-W288 VanDerWaalsContact O-NE1 3.14Å; R111-W288 HydrophobicContact CB-CZ2 4.38Å; R111-W288 HydrophobicContact CG-CD2 4.46Å; R111-W288 HydrophobicContact CG-CG 4.36Å; K124-W288 HydrophobicContact CB-CH2 3.67Å; K124-W288 HydrophobicContact CB-CZ2 3.85Å; K124-W288 HydrophobicContact CD-CH2 3.75Å; K124-W288 HydrophobicContact CD-CZ3 3.95Å; K124-W288 HydrophobicContact CG-CH2 4.09Å; K124-W288 HydrophobicContact CG-CZ2 4.44Å; H138-W288 HydrophobicContact CB-CH2 4.3Å; H138-W288 AromaticContact CE1-CH2 3.69Å; H138-W288 AromaticContact CE1-CZ3 3.69Å; H138-W288 AromaticContact CG-CH2 3.79Å; H138-W288 AromaticContact ND1-CH2 3.33Å; H138-W288 VanDerWaalsContact ND1-CH2 3.33Å; H138-W288 WeakPolarHBondContact ND1-CH2 3.46Å; H138-W288 AromaticContact ND1-CZ3 3.63Å; Y262-W288 HydrophobicContact CD1-CB 3.79Å; Y262-W288 HydrophobicContact CD1-CG 4.33Å; Y262-W288 HydrophobicContact CE1-CB 3.64Å; Y262-W288 AromaticContact CE1-CG 3.96Å; Y262-W288 HydrophobicContact CE1-CG 3.96Å; G285-W288 VanDerWaalsContact C-CZ2 3.44Å; G285-W288 WeakPolarHBondContact O-CZ2 3.43Å; I286-W288 PolarHBondContact O-NE1 2.97Å; W288-V290 PolarHBondContact O-N 3.28Å; W288-Q296 PolarHBondContact O-NE2 3.1Å; W288-Q296 PolarHBondContact O-OE1 3.08Å | ||
| 289 | P | 94.6 | Very high | 91 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | trans | -63.9 | 133.6 | 164.5 | 28.7 | -32.6 | 0 | 0 | 0 | 109.2 | L264 | L264-P289 HydrophobicContact CD1-CB 4.41Å; L264-P289 HydrophobicContact CD1-CG 4.13Å; L264-P289 HydrophobicContact CD2-CB 3.89Å; L264-P289 HydrophobicContact CD2-CG 4.2Å | ||
| 290 | V | 95.5 | Very high | 91.8 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | trans | -123.2 | 155.3 | -178.6 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | P261 Y262 W288 | P261-V290 HydrophobicContact CB-CG1 4.46Å; P261-V290 CarbonylContact O-C 3.48Å; P261-V290 WeakPolarHBondContact O-CA 3.32Å; Y262-V290 HydrophobicContact CD1-CG1 4.02Å; Y262-V290 HydrophobicContact CE1-CG1 3.9Å; W288-V290 PolarHBondContact O-N 3.28Å | ||
| 291 | H | 94 | Very high | 92.4 | Very high | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | trans | -58.1 | 141.9 | 172.8 | -174.3 | -88.2 | 0 | 0 | 0 | 110.4 | P261 K293 C294 | P261-H291 PolarHBondContact O-N 2.99Å; H291-K293 PolarHBondContact ND1-N 2.73Å; H291-K293 PolarHBondContact O-N 3.25Å; H291-C294 HydrophobicContact CB-CB 4.37Å; H291-C294 WeakPolarHBondContact O-CA 3.24Å; H291-C294 PolarHBondContact O-N 2.91Å | ||
| 292 | P | 92.6 | Very high | 92.9 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 80% | 0.799 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.6 | -174.1 | -28 | 35.1 | 0 | 0 | 0 | 115.6 | C294 | P292-C294 VanDerWaalsContact C-N 3.29Š|
| 293 | K | 92.5 | Very high | 93.4 | Very high | 165 Ų | 165 | 47.1 Ų | 47.1 | 72% | 0.717 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.4 | 176.5 | -61.3 | -177.2 | 176.9 | -178.4 | 0 | 113.8 | I259 H291 | I259-K293 HydrophobicContact CD1-CB 4.15Å; I259-K293 HydrophobicContact CD1-CD 3.67Å; H291-K293 PolarHBondContact ND1-N 2.73Å; H291-K293 PolarHBondContact O-N 3.25Å |
| 294 | C | 93.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | trans | -126.9 | 166.2 | -174.6 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | P261 H291 P292 T298 | P261-C294 HydrophobicContact CB-CB 3.67Å; H291-C294 HydrophobicContact CB-CB 4.37Å; H291-C294 WeakPolarHBondContact O-CA 3.24Å; H291-C294 PolarHBondContact O-N 2.91Å; P292-C294 VanDerWaalsContact C-N 3.29Å; C294-T298 HydrophobicContact CB-CG2 4.45Å | ||
| 295 | H | 92.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 40% | 0.403 | 25% | 0.247 | S | C | . | . | trans | -126.8 | 173.1 | 173.8 | 63.1 | 95 | 0 | 0 | 0 | 110 | H297 T298 M301 | H295-H297 PolarHBondContact ND1-N 3.37Å; H295-H297 PolarHBondContact O-N 2.87Å; H295-T298 PolarHBondContact CD2-OG1 3.21Å; H295-T298 PolarHBondContact CE1-N 3.49Å; H295-T298 PolarHBondContact N-OG1 3.38Å; H295-T298 PolarHBondContact NE2-OG1 3.49Å; H295-T298 PolarHBondContact O-N 3.02Å; H295-T298 VanDerWaalsContact O-N 3.16Å; H295-T298 PolarHBondContact O-OG1 2.72Å; H295-T298 VanDerWaalsContact O-OG1 3.06Å; H295-M301 PolarHBondContact CE1-SD 2.87Å | ||
| 296 | Q | 92.8 | Very high | 93.6 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31.4 | -174.9 | -69.3 | -54.2 | -49.5 | 0 | 0 | 114.2 | Y262 W288 | Y262-Q296 PolarHBondContact OH-O 3.08Å; W288-Q296 PolarHBondContact O-NE2 3.1Å; W288-Q296 PolarHBondContact O-OE1 3.08Å |
| 297 | H | 94.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 3.4 | -171.7 | -54.9 | -85.5 | 0 | 0 | 0 | 113.5 | D94 Y97 L98 H295 L299 T300 M301 | D94-H297 IonicContact OD2-NE2 3.37Å; Y97-H297 HydrophobicContact CD2-CB 4.39Å; Y97-H297 HydrophobicContact CG-CB 4.19Å; L98-H297 WeakPolarHBondContact CD2-ND1 3.36Å; H295-H297 PolarHBondContact ND1-N 3.37Å; H295-H297 PolarHBondContact O-N 2.87Å; H297-L299 VanDerWaalsContact C-N 3.3Å; H297-L299 PolarHBondContact O-N 3.5Å; H297-T300 WeakPolarHBondContact CA-OG1 3.5Å; H297-T300 WeakPolarHBondContact CB-OG1 3.27Å; H297-T300 PolarHBondContact O-N 2.97Å; H297-T300 PolarHBondContact O-OG1 3.49Å; H297-M301 HydrophobicContact CB-CG 4.37Å; H297-M301 WeakPolarHBondContact O-CB 3.25Å; H297-M301 VanDerWaalsContact O-CG 3.3Å; H297-M301 WeakPolarHBondContact O-CG 3.31Å; H297-M301 PolarHBondContact O-N 3.31Å |
| 298 | T | 94.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.9 | -45.6 | -176.4 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | C294 H295 E302 | C294-T298 HydrophobicContact CB-CG2 4.45Å; H295-T298 PolarHBondContact CD2-OG1 3.21Å; H295-T298 PolarHBondContact CE1-N 3.49Å; H295-T298 PolarHBondContact N-OG1 3.38Å; H295-T298 PolarHBondContact NE2-OG1 3.49Å; H295-T298 PolarHBondContact O-N 3.02Å; H295-T298 VanDerWaalsContact O-N 3.16Å; H295-T298 PolarHBondContact O-OG1 2.72Å; H295-T298 VanDerWaalsContact O-OG1 3.06Å; T298-E302 PolarHBondContact O-N 3.27Å |
| 299 | L | 94.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 177.6 | -170 | 71.5 | 0 | 0 | 0 | 112.3 | E238 I241 F258 F260 P261 Y262 H297 E302 Q303 | E238-L299 HydrophobicContact CB-CD2 4.5Å; E238-L299 HydrophobicContact CG-CD2 3.79Å; I241-L299 HydrophobicContact CB-CD1 4.32Å; I241-L299 HydrophobicContact CG2-CD1 3.59Å; I241-L299 HydrophobicContact CG2-CG 4.28Å; F258-L299 HydrophobicContact CZ-CD1 3.92Å; F260-L299 HydrophobicContact CE2-CD1 4.24Å; F260-L299 HydrophobicContact CE2-CD2 4.48Å; P261-L299 HydrophobicContact CG-CB 3.9Å; Y262-L299 HydrophobicContact CE2-CB 4.16Å; Y262-L299 HydrophobicContact CE2-CD2 3.84Å; H297-L299 VanDerWaalsContact C-N 3.3Å; H297-L299 PolarHBondContact O-N 3.5Å; L299-E302 PolarHBondContact O-N 3.24Å; L299-Q303 WeakPolarHBondContact O-CG 3.47Å; L299-Q303 PolarHBondContact O-N 3.44Å |
| 300 | T | 94.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.4 | -35.2 | -177.3 | 58 | 0 | 0 | 0 | 0 | 111.8 | Y97 L98 H297 Q303 L304 | Y97-T300 WeakPolarHBondContact O-CB 3.4Å; Y97-T300 PolarHBondContact O-OG1 2.66Å; L98-T300 HydrophobicContact CD2-CG2 4.25Å; H297-T300 WeakPolarHBondContact CA-OG1 3.5Å; H297-T300 WeakPolarHBondContact CB-OG1 3.27Å; H297-T300 PolarHBondContact O-N 2.97Å; H297-T300 PolarHBondContact O-OG1 3.49Å; T300-Q303 WeakPolarHBondContact O-CB 3.48Å; T300-Q303 PolarHBondContact O-N 2.9Å; T300-L304 WeakPolarHBondContact O-CG 3.18Å; T300-L304 PolarHBondContact O-N 3.35Å |
| 301 | M | 94.3 | Very high | 91.6 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 30% | 0.296 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 170.2 | -73.3 | 179.5 | 68.8 | 0 | 0 | 111.4 | Y97 H295 H297 Q303 L304 K305 | Y97-M301 HydrophobicContact CD1-CE 4.15Å; Y97-M301 HydrophobicContact CD1-CG 3.67Å; Y97-M301 HydrophobicContact CD1-SD 3.69Å; Y97-M301 HydrophobicContact CE1-CE 4.15Å; Y97-M301 HydrophobicContact CE1-SD 4.05Å; Y97-M301 HydrophobicContact CG-CG 4.11Å; Y97-M301 HydrophobicContact CG-SD 4.28Å; H295-M301 PolarHBondContact CE1-SD 2.87Å; H297-M301 HydrophobicContact CB-CG 4.37Å; H297-M301 WeakPolarHBondContact O-CB 3.25Å; H297-M301 VanDerWaalsContact O-CG 3.3Å; H297-M301 WeakPolarHBondContact O-CG 3.31Å; H297-M301 PolarHBondContact O-N 3.31Å; M301-Q303 VanDerWaalsContact C-N 3.31Å; M301-Q303 PolarHBondContact O-N 3.43Å; M301-L304 WeakPolarHBondContact O-CB 3.34Å; M301-L304 PolarHBondContact O-N 2.96Å; M301-L304 VanDerWaalsContact O-N 3.09Å; M301-K305 PolarHBondContact O-N 2.95Å |
| 302 | E | 94.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.9 | 178.7 | 56 | -149.4 | 0 | 0 | 111.4 | A245 R248 F258 T298 L299 L304 K305 Q306 | A245-E302 HydrophobicContact CB-CG 3.75Å; R248-E302 IonicContact CZ-OE1 3.28Å; R248-E302 IonicContact CZ-OE2 3.76Å; R248-E302 IonicContact NE-OE1 3.93Å; R248-E302 PolarHBondContact NE-OE1 3.07Å; R248-E302 IonicContact NE-OE2 2.98Å; R248-E302 IonicContact NH2-OE1 3.61Å; R248-E302 IonicContact NH2-OE2 3.67Å; R248-E302 PolarHBondContact NH2-OE2 3.17Å; F258-E302 HydrophobicContact CD2-CG 4.33Å; F258-E302 HydrophobicContact CE2-CB 3.89Å; F258-E302 HydrophobicContact CE2-CG 3.82Å; F258-E302 HydrophobicContact CZ-CG 4.35Å; T298-E302 PolarHBondContact O-N 3.27Å; L299-E302 PolarHBondContact O-N 3.24Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 2.92Å; E302-K305 WeakPolarHBondContact O-CB 3.26Å; E302-K305 PolarHBondContact O-N 3.36Å; E302-Q306 VanDerWaalsContact O-CG 3.3Å; E302-Q306 WeakPolarHBondContact O-CG 2.99Å; E302-Q306 PolarHBondContact O-N 3.3Å; E302-Q306 WeakPolarHBondContact OE1-CG 3.18Å; E302-Q306 PolarHBondContact OE1-NE2 3.45Å; E302-Q306 VanDerWaalsContact OE1-NE2 3.11Å |
| 303 | Q | 93.6 | Very high | 90.1 | Very high | 18 Ų | 18 | 62.6 Ų | 62.6 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -36.2 | 173.7 | -66.9 | 172.8 | -35.1 | 0 | 0 | 113.3 | Q99 H113 I241 L299 T300 M301 K307 | Q99-Q303 VanDerWaalsContact NE2-CB 3.28Å; H113-Q303 PolarHBondContact CE1-NE2 3.41Å; I241-Q303 HydrophobicContact CD1-CG 3.96Å; I241-Q303 HydrophobicContact CG1-CG 4.22Å; I241-Q303 HydrophobicContact CG2-CG 3.86Å; L299-Q303 WeakPolarHBondContact O-CG 3.47Å; L299-Q303 PolarHBondContact O-N 3.44Å; T300-Q303 WeakPolarHBondContact O-CB 3.48Å; T300-Q303 PolarHBondContact O-N 2.9Å; M301-Q303 VanDerWaalsContact C-N 3.31Å; M301-Q303 PolarHBondContact O-N 3.43Å; Q303-K307 WeakPolarHBondContact O-CG 3.46Å; Q303-K307 PolarHBondContact O-N 2.88Å |
| 304 | L | 93.8 | Very high | 89.1 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 175.6 | -73.2 | 172.3 | 0 | 0 | 0 | 110.7 | Q96 Q99 T300 M301 E302 K307 A308 | Q96-L304 WeakPolarHBondContact O-CD1 3.27Å; Q99-L304 HydrophobicContact CG-CD2 3.78Å; Q99-L304 HydrophobicContact CG-CG 4.39Å; T300-L304 WeakPolarHBondContact O-CG 3.18Å; T300-L304 PolarHBondContact O-N 3.35Å; M301-L304 WeakPolarHBondContact O-CB 3.34Å; M301-L304 PolarHBondContact O-N 2.96Å; M301-L304 VanDerWaalsContact O-N 3.09Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 2.92Å; L304-K307 PolarHBondContact O-N 3.49Å; L304-A308 PolarHBondContact O-N 2.9Å |
| 305 | K | 91.4 | Very high | 88.1 | Confident | 90 Ų | 90 | 61.7 Ų | 61.7 | 39% | 0.391 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.2 | -52.4 | 171.5 | -67.3 | 179.6 | -179.6 | -176.9 | 0 | 110.9 | M301 E302 K307 A308 D309 | M301-K305 PolarHBondContact O-N 2.95Å; E302-K305 WeakPolarHBondContact O-CB 3.26Å; E302-K305 PolarHBondContact O-N 3.36Å; K305-K307 PolarHBondContact O-N 3.25Å; K305-K307 VanDerWaalsContact O-N 3.15Å; K305-A308 WeakPolarHBondContact O-CA 3.34Å; K305-A308 WeakPolarHBondContact O-CB 3.32Å; K305-A308 PolarHBondContact O-N 2.99Å; K305-D309 PolarHBondContact O-N 3Å |
| 306 | Q | 90.4 | Very high | 87.3 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -33.4 | 178.4 | -69.6 | 176.1 | 13.4 | 0 | 0 | 113.2 | I241 E302 K310 | I241-Q306 PolarHBondContact O-NE2 3.04Å; E302-Q306 VanDerWaalsContact O-CG 3.3Å; E302-Q306 WeakPolarHBondContact O-CG 2.99Å; E302-Q306 PolarHBondContact O-N 3.3Å; E302-Q306 WeakPolarHBondContact OE1-CG 3.18Å; E302-Q306 PolarHBondContact OE1-NE2 3.45Å; E302-Q306 VanDerWaalsContact OE1-NE2 3.11Å; Q306-K310 VanDerWaalsContact O-CB 3.31Å; Q306-K310 WeakPolarHBondContact O-CB 3.26Å; Q306-K310 PolarHBondContact O-N 2.95Å |
| 307 | K | 89.8 | Confident | 87 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -74.9 | -38.8 | 174.3 | -77.5 | -175.5 | -176.4 | -168.6 | 0 | 112.9 | Q303 L304 K305 K310 R311 | Q303-K307 WeakPolarHBondContact O-CG 3.46Å; Q303-K307 PolarHBondContact O-N 2.88Å; L304-K307 PolarHBondContact O-N 3.49Å; K305-K307 PolarHBondContact O-N 3.25Å; K305-K307 VanDerWaalsContact O-N 3.15Å; K307-K310 PolarHBondContact O-N 3.37Å; K307-R311 WeakPolarHBondContact O-CG 3.38Å; K307-R311 PolarHBondContact O-N 3.38Å |
| 308 | A | 88.6 | Confident | 86.7 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L304 K305 K310 R311 V312 | L304-A308 PolarHBondContact O-N 2.9Å; K305-A308 WeakPolarHBondContact O-CA 3.34Å; K305-A308 WeakPolarHBondContact O-CB 3.32Å; K305-A308 PolarHBondContact O-N 2.99Å; A308-K310 VanDerWaalsContact C-N 3.26Å; A308-K310 PolarHBondContact O-N 3.06Å; A308-R311 WeakPolarHBondContact O-CA 3.5Å; A308-R311 WeakPolarHBondContact O-CB 3.3Å; A308-R311 PolarHBondContact O-N 3.2Å; A308-V312 WeakPolarHBondContact O-CG2 3.02Å; A308-V312 PolarHBondContact O-N 3.48Å |
| 309 | D | 84.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 175 | -65.3 | -6.4 | 0 | 0 | 0 | 111.8 | R248 K305 R313 | R248-D309 WeakPolarHBondContact CD-OD2 3.42Å; K305-D309 PolarHBondContact O-N 3Å; D309-R313 WeakPolarHBondContact O-CB 3.27Å; D309-R313 VanDerWaalsContact O-CG 3.3Å; D309-R313 WeakPolarHBondContact O-CG 3.37Å; D309-R313 PolarHBondContact O-N 3Å; D309-R313 PolarHBondContact O-NE 3.26Å |
| 310 | K | 83 | Confident | 86.5 | Confident | 104 Ų | 104 | 63.7 Ų | 63.7 | 45% | 0.452 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 174.6 | -174.6 | 177.4 | 179 | -179.1 | 0 | 111.3 | Q306 K307 A308 R313 S314 | Q306-K310 VanDerWaalsContact O-CB 3.31Å; Q306-K310 WeakPolarHBondContact O-CB 3.26Å; Q306-K310 PolarHBondContact O-N 2.95Å; K307-K310 PolarHBondContact O-N 3.37Å; A308-K310 VanDerWaalsContact C-N 3.26Å; A308-K310 PolarHBondContact O-N 3.06Å; K310-R313 PolarHBondContact O-N 3.38Å; K310-S314 VanDerWaalsContact O-CB 3.29Å; K310-S314 WeakPolarHBondContact O-CB 3.27Å; K310-S314 PolarHBondContact O-N 2.85Å; K310-S314 PolarHBondContact O-OG 3.38Å |
| 311 | R | 82.7 | Confident | 86.4 | Confident | 174 Ų | 174 | 65.6 Ų | 65.6 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.2 | -48.6 | 178.2 | -75.3 | 172.5 | -175.9 | 174.4 | 1.1 | 111.1 | K307 A308 R313 S314 Q315 | K307-R311 WeakPolarHBondContact O-CG 3.38Å; K307-R311 PolarHBondContact O-N 3.38Å; A308-R311 WeakPolarHBondContact O-CA 3.5Å; A308-R311 WeakPolarHBondContact O-CB 3.3Å; A308-R311 PolarHBondContact O-N 3.2Å; R311-R313 PolarHBondContact O-N 3.26Å; R311-S314 VanDerWaalsContact CA-OG 3.28Å; R311-S314 WeakPolarHBondContact CA-OG 3.42Å; R311-S314 CarbonylContact O-C 3.58Å; R311-S314 PolarHBondContact O-N 3.42Å; R311-S314 PolarHBondContact O-OG 2.78Å; R311-Q315 WeakPolarHBondContact O-CG 3.5Å; R311-Q315 PolarHBondContact O-N 2.89Å |
| 312 | V | 80.5 | Confident | 86.2 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 58% | 0.576 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.8 | -47.6 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | A308 S314 Q315 | A308-V312 WeakPolarHBondContact O-CG2 3.02Å; A308-V312 PolarHBondContact O-N 3.48Å; V312-S314 VanDerWaalsContact C-N 3.33Å; V312-S314 PolarHBondContact O-N 3.26Å; V312-Q315 PolarHBondContact O-N 3.05Å |
| 313 | R | 74.8 | Confident | 86.1 | Confident | 140 Ų | 140 | 70.2 Ų | 70.2 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 176.5 | -73.8 | -176.6 | -70.1 | -176.3 | -6.1 | 113 | D309 K310 R311 Q315 V316 | D309-R313 WeakPolarHBondContact O-CB 3.27Å; D309-R313 VanDerWaalsContact O-CG 3.3Å; D309-R313 WeakPolarHBondContact O-CG 3.37Å; D309-R313 PolarHBondContact O-N 3Å; D309-R313 PolarHBondContact O-NE 3.26Å; K310-R313 PolarHBondContact O-N 3.38Å; R311-R313 PolarHBondContact O-N 3.26Å; R313-Q315 PolarHBondContact O-N 2.92Å; R313-V316 WeakPolarHBondContact O-CB 3.29Å; R313-V316 WeakPolarHBondContact O-CG2 3.37Å; R313-V316 PolarHBondContact O-N 3.38Å |
| 314 | S | 72.4 | Confident | 86 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 21% | 0.21 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.3 | -11.8 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | K310 R311 V312 V316 L358 A359 | K310-S314 VanDerWaalsContact O-CB 3.29Å; K310-S314 WeakPolarHBondContact O-CB 3.27Å; K310-S314 PolarHBondContact O-N 2.85Å; K310-S314 PolarHBondContact O-OG 3.38Å; R311-S314 VanDerWaalsContact CA-OG 3.28Å; R311-S314 WeakPolarHBondContact CA-OG 3.42Å; R311-S314 CarbonylContact O-C 3.58Å; R311-S314 PolarHBondContact O-N 3.42Å; R311-S314 PolarHBondContact O-OG 2.78Å; V312-S314 VanDerWaalsContact C-N 3.33Å; V312-S314 PolarHBondContact O-N 3.26Å; S314-V316 VanDerWaalsContact C-N 3.29Å; S314-L358 WeakPolarHBondContact O-CB 3.44Å; S314-A359 WeakPolarHBondContact CA-O 3.48Å |
| 315 | Q | 71.4 | Confident | 85.7 | Confident | 134 Ų | 134 | 73 Ų | 73 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.7 | 172.8 | -76.8 | 171.9 | -25.4 | 0 | 0 | 112.5 | R311 V312 R313 Q317 | R311-Q315 WeakPolarHBondContact O-CG 3.5Å; R311-Q315 PolarHBondContact O-N 2.89Å; V312-Q315 PolarHBondContact O-N 3.05Å; R313-Q315 PolarHBondContact O-N 2.92Å; Q315-Q317 PolarHBondContact O-N 3.45Å; Q315-Q317 VanDerWaalsContact O-N 3.15Å |
| 316 | V | 77.1 | Confident | 85.5 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | trans | -68 | 115.2 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | R313 S314 Y318 K395 | R313-V316 WeakPolarHBondContact O-CB 3.29Å; R313-V316 WeakPolarHBondContact O-CG2 3.37Å; R313-V316 PolarHBondContact O-N 3.38Å; S314-V316 VanDerWaalsContact C-N 3.29Å; V316-Y318 HydrophobicContact CB-CE2 4.02Å; V316-Y318 HydrophobicContact CG1-CD2 4.16Å; V316-Y318 HydrophobicContact CG1-CE2 3.5Å; V316-Y318 VanDerWaalsContact CG1-CE2 3.5Å; V316-Y318 WeakPolarHBondContact O-CD2 3.43Å; V316-K395 HydrophobicContact CG1-CD 4.02Å; V316-K395 HydrophobicContact CG1-CG 3.78Å | ||
| 317 | Q | 86.3 | Confident | 85.2 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138.5 | 175.6 | -71.8 | 174.6 | -3.6 | 0 | 0 | 110.4 | Q315 I356 L358 C396 Y398 | Q315-Q317 PolarHBondContact O-N 3.45Å; Q315-Q317 VanDerWaalsContact O-N 3.15Å; Q317-I356 HydrophobicContact CB-CG2 3.92Å; Q317-I356 HydrophobicContact CG-CG2 3.88Å; Q317-L358 HydrophobicContact CG-CD2 3.53Å; Q317-C396 HydrophobicContact CB-CB 4.14Å; Q317-C396 WeakPolarHBondContact O-CB 3.24Å; Q317-C396 PolarHBondContact O-N 3.04Å; Q317-Y398 VanDerWaalsContact CD-OH 3.26Å; Q317-Y398 PolarHBondContact NE2-OH 2.68Å; Q317-Y398 PolarHBondContact OE1-OH 3.17Å |
| 318 | Y | 87.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.2 | 172.1 | -69 | -98.2 | 0 | 0 | 0 | 108.4 | V316 I356 I357 A359 M367 V393 E394 K395 | V316-Y318 HydrophobicContact CB-CE2 4.02Å; V316-Y318 HydrophobicContact CG1-CD2 4.16Å; V316-Y318 HydrophobicContact CG1-CE2 3.5Å; V316-Y318 VanDerWaalsContact CG1-CE2 3.5Å; V316-Y318 WeakPolarHBondContact O-CD2 3.43Å; Y318-I356 WeakPolarHBondContact O-CA 3.39Å; Y318-I357 PolarHBondContact N-O 2.66Å; Y318-I357 PolarHBondContact O-N 3.19Å; Y318-A359 HydrophobicContact CD2-CB 3.49Å; Y318-A359 VanDerWaalsContact CD2-CB 3.49Å; Y318-A359 HydrophobicContact CE2-CB 3.45Å; Y318-A359 VanDerWaalsContact CE2-CB 3.45Å; Y318-A359 HydrophobicContact CG-CB 4.44Å; Y318-M367 HydrophobicContact CD1-CE 3.85Å; Y318-M367 HydrophobicContact CE1-CE 3.87Å; Y318-M367 HydrophobicContact CE1-SD 4.36Å; Y318-M367 HydrophobicContact CG-CE 4.27Å; Y318-V393 HydrophobicContact CD1-CG2 3.82Å; Y318-V393 HydrophobicContact CG-CG2 4.09Å; Y318-E394 CarbonylContact C-O 3.6Å; Y318-E394 WeakPolarHBondContact CA-O 3.35Å; Y318-E394 WeakPolarHBondContact CB-O 3.29Å; Y318-K395 HydrophobicContact CD1-CB 4.03Å; Y318-K395 HydrophobicContact CE1-CB 3.74Å; Y318-K395 HydrophobicContact CE1-CG 4.16Å |
| 319 | Q | 92.1 | Very high | 84.3 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134 | 173.6 | -170.1 | 172.6 | 25.6 | 0 | 0 | 109.2 | V321 V393 E394 C396 | Q319-V321 PolarHBondContact O-N 3.49Å; Q319-V393 CarbonylContact O-C 3.41Å; Q319-V393 WeakPolarHBondContact O-CA 3.21Å; Q319-E394 PolarHBondContact N-O 3.07Å; Q319-E394 PolarHBondContact O-N 2.81Å; Q319-C396 PolarHBondContact N-SG 3.27Å |
| 320 | V | 91.8 | Very high | 84.1 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 119 | 174.3 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | E322 L351 S352 G354 D355 I357 C392 V393 | V320-E322 VanDerWaalsContact CG1-O 3.25Å; V320-E322 WeakPolarHBondContact CG1-O 3.45Å; V320-L351 HydrophobicContact CG1-CB 3.88Å; V320-L351 HydrophobicContact CG1-CD1 4.48Å; V320-L351 HydrophobicContact CG2-CB 4.08Å; V320-L351 HydrophobicContact CG2-CD1 4.12Å; V320-L351 HydrophobicContact CG2-CD2 4.15Å; V320-L351 HydrophobicContact CG2-CG 4.37Å; V320-S352 WeakPolarHBondContact CB-O 3.47Å; V320-S352 WeakPolarHBondContact CG1-O 3.37Å; V320-G354 PolarHBondContact O-N 3.4Å; V320-D355 HydrophobicContact CB-CB 4.12Å; V320-D355 HydrophobicContact CG2-CB 3.66Å; V320-D355 WeakPolarHBondContact CG2-O 3.48Å; V320-D355 PolarHBondContact N-O 3.35Å; V320-I357 HydrophobicContact CG2-CD1 4.37Å; V320-I357 HydrophobicContact CG2-CG1 3.74Å; V320-C392 CarbonylContact C-O 3.55Å; V320-C392 WeakPolarHBondContact CA-O 3.23Å; V320-V393 HydrophobicContact CG2-CG1 3.92Å |
| 321 | V | 92.5 | Very high | 83.9 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 28% | 0.279 | 36% | 0.356 | S | S | . | . | trans | -98.8 | -19.7 | 178.3 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | Q319 K353 C392 E394 | Q319-V321 PolarHBondContact O-N 3.49Å; V321-K353 WeakPolarHBondContact O-CE 3.26Å; V321-C392 PolarHBondContact N-O 3.34Å; V321-E394 HydrophobicContact CG1-CB 3.97Å; V321-E394 HydrophobicContact CG1-CG 3.79Å; V321-E394 HydrophobicContact CG2-CG 4.14Å | ||
| 322 | E | 91.5 | Very high | 84 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -140.2 | 133.9 | -175.6 | -158.9 | -166.5 | 169.6 | 0 | 0 | 111 | V320 K333 C392 | V320-E322 VanDerWaalsContact CG1-O 3.25Å; V320-E322 WeakPolarHBondContact CG1-O 3.45Å; E322-K333 VanDerWaalsContact CG-NZ 3.33Å; E322-K333 WeakPolarHBondContact OE1-CD 3.34Å; E322-K333 IonicContact OE1-NZ 3.89Å; E322-K333 PolarHBondContact OE1-NZ 2.96Å; E322-K333 IonicContact OE2-NZ 3.78Å; E322-C392 HydrophobicContact CB-CB 4.32Å; E322-C392 PolarHBondContact N-O 3.13Å; E322-C392 WeakPolarHBondContact O-CB 3.45Å |
| 323 | D | 91.6 | Very high | 84.1 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | trans | -65.5 | 143.8 | -179.4 | -61.7 | -41 | 0 | 0 | 0 | 112.4 | K333 L351 S352 K353 | D323-K333 WeakPolarHBondContact O-CE 3.33Å; D323-K333 PolarHBondContact O-NZ 3.46Å; D323-L351 WeakPolarHBondContact CA-O 3.35Å; D323-S352 VanDerWaalsContact OD1-CA 3.31Å; D323-S352 WeakPolarHBondContact OD1-CA 3.35Å; D323-K353 PolarHBondContact OD1-N 3.03Å | ||
| 324 | Y | 91 | Very high | 84.7 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -138.8 | 129.1 | 174.3 | 171.3 | -125 | 0 | 0 | 0 | 110.1 | G326 A327 P330 I349 P350 L351 F388 P389 | Y324-G326 VanDerWaalsContact C-N 3.3Å; Y324-G326 VanDerWaalsContact CZ-CA 3.47Å; Y324-G326 PolarHBondContact O-N 2.84Å; Y324-A327 PolarHBondContact OH-O 3.4Å; Y324-P330 HydrophobicContact CD2-CB 4.43Å; Y324-P330 HydrophobicContact CE2-CB 3.86Å; Y324-P330 HydrophobicContact CE2-CG 4.32Å; Y324-I349 VanDerWaalsContact CD1-O 3.23Å; Y324-I349 WeakPolarHBondContact CD1-O 3.45Å; Y324-I349 WeakPolarHBondContact CE1-O 3.47Å; Y324-P350 CarbonylContact O-C 3.39Å; Y324-P350 WeakPolarHBondContact O-CA 3.47Å; Y324-L351 HydrophobicContact CD1-CD1 4.5Å; Y324-L351 HydrophobicContact CD1-CG 4.38Å; Y324-L351 PolarHBondContact N-O 3.21Å; Y324-L351 PolarHBondContact O-N 3.11Å; Y324-F388 HydrophobicContact CD1-CB 4Å; Y324-F388 HydrophobicContact CE1-CB 4.11Å; Y324-P389 HydrophobicContact CD2-CG 4.27Å; Y324-P389 HydrophobicContact CE2-CG 4.27Å; Y324-P389 HydrophobicContact CG-CG 4.44Å |
| 325 | N | 88.6 | Confident | 85.3 | Confident | 124 Ų | 124 | 60 Ų | 60 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | trans | -85.8 | 6.5 | -175.1 | 63.8 | -4.3 | 0 | 0 | 0 | 114.4 | A327 | N325-A327 VanDerWaalsContact C-N 3.29Å; N325-A327 PolarHBondContact O-N 3.33Å; N325-A327 WeakPolarHBondContact OD1-CB 3.36Å; N325-A327 PolarHBondContact OD1-N 3.14Å; N325-A327 VanDerWaalsContact OD1-N 3.09Å | ||
| 326 | G | 86.4 | Confident | 86 | Confident | 18 Ų | 18 | 58 Ų | 58 | 19% | 0.186 | 33% | 0.329 | C | S | . | . | trans | 78.1 | 6.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y324 R348 | Y324-G326 VanDerWaalsContact C-N 3.3Å; Y324-G326 VanDerWaalsContact CZ-CA 3.47Å; Y324-G326 PolarHBondContact O-N 2.84Å; G326-R348 WeakPolarHBondContact O-CB 3.3Å | ||
| 327 | A | 84.9 | Confident | 86.3 | Confident | 35 Ų | 35 | 56 Ų | 56 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | trans | -61.2 | 137.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y324 N325 C329 | Y324-A327 PolarHBondContact OH-O 3.4Å; N325-A327 VanDerWaalsContact C-N 3.29Å; N325-A327 PolarHBondContact O-N 3.33Å; N325-A327 WeakPolarHBondContact OD1-CB 3.36Å; N325-A327 PolarHBondContact OD1-N 3.14Å; N325-A327 VanDerWaalsContact OD1-N 3.09Å; A327-C329 PolarHBondContact O-N 2.89Å | ||
| 328 | C | 78.2 | Confident | 86.3 | Confident | 70 Ų | 70 | 56.2 Ų | 56.2 | 47% | 0.473 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -57.7 | -34.1 | 178.6 | -167.2 | 0 | 0 | 0 | 0 | 112.9 | P330 T341 | C328-P330 WeakPolarHBondContact O-CD 3.34Å; C328-T341 WeakPolarHBondContact O-CG2 3.19Å |
| 329 | C | 81 | Confident | 86.3 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -123.4 | 79.9 | -173.2 | -69.2 | 0 | 0 | 0 | 0 | 111.2 | A327 L331 F338 | A327-C329 PolarHBondContact O-N 2.89Å; C329-L331 VanDerWaalsContact C-N 3.3Å; C329-L331 PolarHBondContact O-N 3.47Å; C329-F338 HydrophobicContact CB-CD2 3.87Å; C329-F338 HydrophobicContact CB-CE2 3.65Å |
| 330 | P | 79.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | trans | -82.8 | 73.2 | -175.1 | 34.4 | -35.9 | 0 | 0 | 0 | 111.5 | Y324 C328 S332 K333 T337 W366 P389 | Y324-P330 HydrophobicContact CD2-CB 4.43Å; Y324-P330 HydrophobicContact CE2-CB 3.86Å; Y324-P330 HydrophobicContact CE2-CG 4.32Å; C328-P330 WeakPolarHBondContact O-CD 3.34Å; P330-S332 PolarHBondContact O-N 3.33Å; P330-K333 HydrophobicContact CB-CB 3.9Å; P330-K333 HydrophobicContact CB-CG 3.78Å; P330-K333 HydrophobicContact CG-CB 4.38Å; P330-K333 CarbonylContact O-C 3.43Å; P330-K333 WeakPolarHBondContact O-CA 3.44Å; P330-K333 WeakPolarHBondContact O-CB 3.26Å; P330-K333 PolarHBondContact O-N 3.1Å; P330-T337 HydrophobicContact CG-CG2 4.07Å; P330-W366 HydrophobicContact CG-CH2 3.68Å; P330-W366 HydrophobicContact CG-CZ2 3.72Å; P330-P389 HydrophobicContact CG-CG 4.14Å | ||
| 331 | L | 79.8 | Confident | 85.6 | Confident | 105 Ų | 105 | 65 Ų | 65 | 55% | 0.55 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -56 | -36.1 | 174.9 | -84.3 | 143.2 | 0 | 0 | 0 | 112.2 | C329 K333 G334 F338 | C329-L331 VanDerWaalsContact C-N 3.3Å; C329-L331 PolarHBondContact O-N 3.47Å; L331-K333 PolarHBondContact O-N 3.13Å; L331-G334 PolarHBondContact O-N 3.41Å; L331-F338 HydrophobicContact CD1-CD2 4.37Å; L331-F338 HydrophobicContact CD1-CE2 4.21Å; L331-F338 HydrophobicContact CD2-CD1 4.38Å; L331-F338 HydrophobicContact CD2-CD2 4.34Å; L331-F338 HydrophobicContact CD2-CG 4.22Å; L331-F338 HydrophobicContact CG-CD2 3.85Å; L331-F338 HydrophobicContact CG-CE2 4.16Å; L331-F338 HydrophobicContact CG-CG 4.17Å |
| 332 | S | 83.7 | Confident | 85.1 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -60.9 | -24.2 | 173.6 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | P330 G334 | P330-S332 PolarHBondContact O-N 3.33Å; S332-G334 VanDerWaalsContact C-N 3.31Å; S332-G334 PolarHBondContact O-N 3.25Å |
| 333 | K | 83.8 | Confident | 84.6 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 8% | 0.083 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -99.4 | 38.3 | 175 | -47.8 | -60.5 | 173.6 | 174.6 | 0 | 109.9 | E322 D323 P330 L331 T337 P389 R391 | E322-K333 VanDerWaalsContact CG-NZ 3.33Å; E322-K333 WeakPolarHBondContact OE1-CD 3.34Å; E322-K333 IonicContact OE1-NZ 3.89Å; E322-K333 PolarHBondContact OE1-NZ 2.96Å; E322-K333 IonicContact OE2-NZ 3.78Å; D323-K333 WeakPolarHBondContact O-CE 3.33Å; D323-K333 PolarHBondContact O-NZ 3.46Å; P330-K333 HydrophobicContact CB-CB 3.9Å; P330-K333 HydrophobicContact CB-CG 3.78Å; P330-K333 HydrophobicContact CG-CB 4.38Å; P330-K333 CarbonylContact O-C 3.43Å; P330-K333 WeakPolarHBondContact O-CA 3.44Å; P330-K333 WeakPolarHBondContact O-CB 3.26Å; P330-K333 PolarHBondContact O-N 3.1Å; L331-K333 PolarHBondContact O-N 3.13Å; K333-T337 WeakPolarHBondContact O-CB 3.37Å; K333-T337 PolarHBondContact O-OG1 2.91Å; K333-P389 HydrophobicContact CB-CB 4.38Å; K333-P389 HydrophobicContact CB-CG 4.22Å; K333-P389 HydrophobicContact CG-CG 4.21Å; K333-R391 PolarHBondContact O-NE 2.87Å; K333-R391 PolarHBondContact O-NH1 3.48Å; K333-R391 PolarHBondContact O-NH2 3.36Å |
| 334 | G | 85.8 | Confident | 84 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | trans | 78.2 | 147.6 | 165 | 0 | 0 | 0 | 0 | 0 | 117.4 | L331 S332 Q336 T337 F338 | L331-G334 PolarHBondContact O-N 3.41Å; S332-G334 VanDerWaalsContact C-N 3.31Å; S332-G334 PolarHBondContact O-N 3.25Å; G334-Q336 PolarHBondContact O-N 2.89Å; G334-T337 PolarHBondContact O-N 2.84Å; G334-T337 VanDerWaalsContact O-N 3.1Å; G334-F338 PolarHBondContact O-N 2.97Å; G334-F338 VanDerWaalsContact O-N 3.1Å | ||
| 335 | L | 85.3 | Confident | 83.1 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 62% | 0.623 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.8 | -42.9 | -174 | -69 | 165.9 | 0 | 0 | 0 | 113.7 | T337 F338 F339 | L335-T337 VanDerWaalsContact C-N 3.34Å; L335-T337 PolarHBondContact O-N 3.03Å; L335-F338 WeakPolarHBondContact O-CB 3.07Å; L335-F338 PolarHBondContact O-N 3.32Å; L335-F339 HydrophobicContact CD2-CE2 4.32Å; L335-F339 WeakPolarHBondContact O-CD2 3.33Å; L335-F339 PolarHBondContact O-N 2.71Å |
| 336 | Q | 86.1 | Confident | 82.9 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.2 | -33.1 | 179.7 | -71.7 | -68.1 | -24.7 | 0 | 0 | 113.1 | G334 R340 W365 | G334-Q336 PolarHBondContact O-N 2.89Å; Q336-R340 VanDerWaalsContact O-CB 3.29Å; Q336-R340 WeakPolarHBondContact O-CB 3.41Å; Q336-R340 WeakPolarHBondContact O-CG 3.19Å; Q336-R340 PolarHBondContact O-N 3.04Å; Q336-W365 HydrophobicContact CB-CD2 4.03Å; Q336-W365 HydrophobicContact CB-CE3 3.9Å; Q336-W365 HydrophobicContact CB-CH2 3.63Å; Q336-W365 HydrophobicContact CB-CZ2 3.75Å; Q336-W365 HydrophobicContact CB-CZ3 3.71Å; Q336-W365 HydrophobicContact CG-CH2 3.88Å; Q336-W365 HydrophobicContact CG-CZ2 4Å; Q336-W365 HydrophobicContact CG-CZ3 4.4Å |
| 337 | T | 85 | Confident | 82.9 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.006 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | P330 K333 G334 L335 R340 T341 W366 P389 R391 | P330-T337 HydrophobicContact CG-CG2 4.07Å; K333-T337 WeakPolarHBondContact O-CB 3.37Å; K333-T337 PolarHBondContact O-OG1 2.91Å; G334-T337 PolarHBondContact O-N 2.84Å; G334-T337 VanDerWaalsContact O-N 3.1Å; L335-T337 VanDerWaalsContact C-N 3.34Å; L335-T337 PolarHBondContact O-N 3.03Å; T337-R340 CarbonylContact O-C 3.54Å; T337-R340 PolarHBondContact O-N 2.95Å; T337-T341 PolarHBondContact O-N 3.35Å; T337-T341 PolarHBondContact O-OG1 3.33Å; T337-W366 HydrophobicContact CG2-CD2 4.4Å; T337-W366 HydrophobicContact CG2-CZ2 3.75Å; T337-W366 PolarHBondContact O-NE1 2.63Å; T337-P389 HydrophobicContact CG2-CB 3.9Å; T337-P389 HydrophobicContact CG2-CG 4.1Å; T337-R391 PolarHBondContact OG1-NH2 3.4Å |
| 338 | F | 86 | Confident | 83.2 | Confident | 57 Ų | 57 | 75 Ų | 75 | 25% | 0.25 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60 | -55.1 | 175.8 | 171.6 | -101.7 | 0 | 0 | 0 | 112.6 | C329 L331 G334 L335 R340 T341 | C329-F338 HydrophobicContact CB-CD2 3.87Å; C329-F338 HydrophobicContact CB-CE2 3.65Å; L331-F338 HydrophobicContact CD1-CD2 4.37Å; L331-F338 HydrophobicContact CD1-CE2 4.21Å; L331-F338 HydrophobicContact CD2-CD1 4.38Å; L331-F338 HydrophobicContact CD2-CD2 4.34Å; L331-F338 HydrophobicContact CD2-CG 4.22Å; L331-F338 HydrophobicContact CG-CD2 3.85Å; L331-F338 HydrophobicContact CG-CE2 4.16Å; L331-F338 HydrophobicContact CG-CG 4.17Å; G334-F338 PolarHBondContact O-N 2.97Å; G334-F338 VanDerWaalsContact O-N 3.1Å; L335-F338 WeakPolarHBondContact O-CB 3.07Å; L335-F338 PolarHBondContact O-N 3.32Å; F338-R340 PolarHBondContact O-N 3.37Å; F338-R340 VanDerWaalsContact O-N 3.16Å; F338-T341 WeakPolarHBondContact O-CB 3.35Å; F338-T341 PolarHBondContact O-N 3.42Å; F338-T341 PolarHBondContact O-OG1 3.02Å |
| 339 | F | 86.8 | Confident | 83.8 | Confident | 149 Ų | 149 | 71.9 Ų | 71.9 | 65% | 0.654 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68 | -15.8 | -178.6 | -73.9 | -65.9 | 0 | 0 | 0 | 114.1 | L335 | L335-F339 HydrophobicContact CD2-CE2 4.32Å; L335-F339 WeakPolarHBondContact O-CD2 3.33Å; L335-F339 PolarHBondContact O-N 2.71Å |
| 340 | R | 84.8 | Confident | 84.2 | Confident | 145 Ų | 145 | 72.3 Ų | 72.3 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 29.8 | -179.7 | -60.1 | 177.9 | 179 | -84.3 | 1.4 | 112.5 | Q336 T337 F338 W366 | Q336-R340 VanDerWaalsContact O-CB 3.29Å; Q336-R340 WeakPolarHBondContact O-CB 3.41Å; Q336-R340 WeakPolarHBondContact O-CG 3.19Å; Q336-R340 PolarHBondContact O-N 3.04Å; T337-R340 CarbonylContact O-C 3.54Å; T337-R340 PolarHBondContact O-N 2.95Å; F338-R340 PolarHBondContact O-N 3.37Å; F338-R340 VanDerWaalsContact O-N 3.16Å; R340-W366 PolarHBondContact O-NE1 2.93Å |
| 341 | T | 84.8 | Confident | 84.7 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 16% | 0.16 | 38% | 0.383 | C | S | . | . | trans | -60.7 | 130.8 | 176.2 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | C328 T337 F338 C343 W366 | C328-T341 WeakPolarHBondContact O-CG2 3.19Å; T337-T341 PolarHBondContact O-N 3.35Å; T337-T341 PolarHBondContact O-OG1 3.33Å; F338-T341 WeakPolarHBondContact O-CB 3.35Å; F338-T341 PolarHBondContact O-N 3.42Å; F338-T341 PolarHBondContact O-OG1 3.02Å; T341-C343 PolarHBondContact O-N 3.34Å; T341-W366 HydrophobicContact CG2-CZ2 4.12Å | ||
| 342 | P | 83.1 | Confident | 85.3 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | trans | -62.4 | 115.7 | 176.7 | -24 | 33.6 | 0 | 0 | 0 | 112 | T344 R348 W366 W387 | P342-T344 VanDerWaalsContact C-N 3.27Å; P342-T344 PolarHBondContact O-N 2.96Å; P342-T344 VanDerWaalsContact O-N 3.14Å; P342-R348 PolarHBondContact O-NH2 2.94Å; P342-W366 VanDerWaalsContact CD-CE2 3.5Å; P342-W366 HydrophobicContact CG-CB 3.84Å; P342-W366 HydrophobicContact CG-CD2 3.93Å; P342-W366 HydrophobicContact CG-CE3 4.27Å; P342-W366 HydrophobicContact CG-CG 3.73Å; P342-W387 HydrophobicContact CB-CD2 3.92Å; P342-W387 HydrophobicContact CB-CE3 4.31Å; P342-W387 HydrophobicContact CB-CG 4.28Å; P342-W387 HydrophobicContact CB-CZ2 4.19Å; P342-W387 HydrophobicContact CG-CD2 3.7Å; P342-W387 HydrophobicContact CG-CE3 3.66Å; P342-W387 HydrophobicContact CG-CG 4.18Å; P342-W387 HydrophobicContact CG-CH2 4.42Å; P342-W387 HydrophobicContact CG-CZ2 4.47Å; P342-W387 HydrophobicContact CG-CZ3 4.03Å | ||
| 343 | C | 79.3 | Confident | 85.6 | Confident | 135 Ų | 135 | 73.1 Ų | 73.1 | 91% | 0.912 | 38% | 0.377 | S | S | * | . | trans | -86.7 | 66 | 173.1 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | T341 | T341-C343 PolarHBondContact O-N 3.34Š| ||
| 344 | T | 78.9 | Confident | 85.7 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -122.9 | 154.2 | 177.8 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | P342 E346 W387 | P342-T344 VanDerWaalsContact C-N 3.27Å; P342-T344 PolarHBondContact O-N 2.96Å; P342-T344 VanDerWaalsContact O-N 3.14Å; T344-E346 PolarHBondContact O-N 2.75Å; T344-W387 PolarHBondContact OG1-NE1 3.15Å |
| 345 | E | 73.4 | Confident | 85.9 | Confident | 208 Ų | 208 | 74.7 Ų | 74.7 | 97% | 0.972 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -64.9 | -2.6 | 172.5 | -63.6 | -167 | 160.2 | 0 | 0 | 114.1 | ||
| 346 | E | 84 | Confident | 86.1 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 25% | 0.252 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -78.8 | 137.5 | -176.4 | -58 | 172.8 | 147.4 | 0 | 0 | 111.1 | T344 R361 Y368 W387 | T344-E346 PolarHBondContact O-N 2.75Å; E346-R361 IonicContact OE1-CZ 3.42Å; E346-R361 IonicContact OE1-NH1 3.57Å; E346-R361 PolarHBondContact OE1-NH1 3.32Å; E346-R361 IonicContact OE1-NH2 3.6Å; E346-R361 PolarHBondContact OE1-NH2 3.25Å; E346-R361 IonicContact OE2-CZ 3.33Å; E346-R361 VanDerWaalsContact OE2-CZ 3.32Å; E346-R361 IonicContact OE2-NH1 2.72Å; E346-R361 IonicContact OE2-NH2 3.6Å; E346-R361 PolarHBondContact OE2-NH2 3.13Å; E346-Y368 HydrophobicContact CB-CE2 3.85Å; E346-W387 PolarHBondContact OE2-NE1 3.09Å |
| 347 | P | 87 | Confident | 86.3 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | trans | -70.1 | 163.8 | -172.9 | 29.2 | -36.5 | 0 | 0 | 0 | 112.3 | R385 G386 W387 | P347-R385 WeakPolarHBondContact CG-O 2.95Å; P347-G386 CarbonylContact O-C 3.43Å; P347-G386 WeakPolarHBondContact O-CA 3.35Å; P347-W387 PolarHBondContact O-N 3.32Å | ||
| 348 | R | 89.6 | Confident | 86.3 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 145.1 | 170 | -69.3 | 140.7 | 176.4 | 85.7 | -2.9 | 108.8 | G326 P342 W387 | G326-R348 WeakPolarHBondContact O-CB 3.3Å; P342-R348 PolarHBondContact O-NH2 2.94Å; R348-W387 WeakPolarHBondContact CA-O 3.15Å; R348-W387 HydrophobicContact CG-CB 3.96Å |
| 349 | I | 91 | Very high | 86.2 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | trans | -113.2 | 138.2 | -177.1 | 52.6 | 170.8 | 0 | 0 | 0 | 111 | Y324 L351 V384 R385 W387 F388 | Y324-I349 VanDerWaalsContact CD1-O 3.23Å; Y324-I349 WeakPolarHBondContact CD1-O 3.45Å; Y324-I349 WeakPolarHBondContact CE1-O 3.47Å; I349-L351 HydrophobicContact CD1-CD2 3.96Å; I349-L351 HydrophobicContact CG1-CD2 4.19Å; I349-V384 HydrophobicContact CB-CG1 4.22Å; I349-V384 HydrophobicContact CG2-CG1 3.57Å; I349-R385 WeakPolarHBondContact CG2-O 3.45Å; I349-W387 PolarHBondContact N-O 3.3Å; I349-F388 HydrophobicContact CD1-CD1 3.88Å; I349-F388 HydrophobicContact CD1-CE1 4.29Å; I349-F388 HydrophobicContact CG1-CD1 4Å | ||
| 350 | P | 90.6 | Very high | 85.7 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 51% | 0.506 | 34% | 0.335 | S | S | . | . | trans | -69.3 | 145.2 | 167.5 | 30.8 | -33.1 | 0 | 0 | 0 | 110 | Y324 | Y324-P350 CarbonylContact O-C 3.39Å; Y324-P350 WeakPolarHBondContact O-CA 3.47Å | ||
| 351 | L | 90.9 | Very high | 85.4 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -128.7 | 137.5 | 179.5 | -58.3 | -179.9 | 0 | 0 | 0 | 109.6 | V320 D323 Y324 I349 I357 F388 C392 V393 | V320-L351 HydrophobicContact CG1-CB 3.88Å; V320-L351 HydrophobicContact CG1-CD1 4.48Å; V320-L351 HydrophobicContact CG2-CB 4.08Å; V320-L351 HydrophobicContact CG2-CD1 4.12Å; V320-L351 HydrophobicContact CG2-CD2 4.15Å; V320-L351 HydrophobicContact CG2-CG 4.37Å; D323-L351 WeakPolarHBondContact CA-O 3.35Å; Y324-L351 HydrophobicContact CD1-CD1 4.5Å; Y324-L351 HydrophobicContact CD1-CG 4.38Å; Y324-L351 PolarHBondContact N-O 3.21Å; Y324-L351 PolarHBondContact O-N 3.11Å; I349-L351 HydrophobicContact CD1-CD2 3.96Å; I349-L351 HydrophobicContact CG1-CD2 4.19Å; L351-I357 HydrophobicContact CD2-CD1 3.54Å; L351-I357 HydrophobicContact CD2-CG1 3.92Å; L351-F388 HydrophobicContact CD1-CB 3.53Å; L351-F388 HydrophobicContact CD1-CD2 3.82Å; L351-F388 HydrophobicContact CD1-CG 3.72Å; L351-F388 HydrophobicContact CG-CB 4.21Å; L351-C392 HydrophobicContact CD1-CB 4.32Å; L351-V393 HydrophobicContact CD1-CG1 4.11Å |
| 352 | S | 91.4 | Very high | 85.1 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | trans | -114.7 | 142.6 | 172.5 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | V320 D323 G354 D355 | V320-S352 WeakPolarHBondContact CB-O 3.47Å; V320-S352 WeakPolarHBondContact CG1-O 3.37Å; D323-S352 VanDerWaalsContact OD1-CA 3.31Å; D323-S352 WeakPolarHBondContact OD1-CA 3.35Å; S352-G354 PolarHBondContact O-N 3.06Å; S352-D355 PolarHBondContact N-OD2 2.88Å; S352-D355 WeakPolarHBondContact O-CB 3.49Å; S352-D355 PolarHBondContact O-N 3.35Å | ||
| 353 | K | 90.6 | Very high | 85.1 | Confident | 155 Ų | 155 | 63.3 Ų | 63.3 | 67% | 0.674 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 129.7 | 180 | -169.6 | 176.5 | -176 | -178.9 | 0 | 110.5 | V321 D323 | V321-K353 WeakPolarHBondContact O-CE 3.26Å; D323-K353 PolarHBondContact OD1-N 3.03Å |
| 354 | G | 86.1 | Confident | 85.4 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -14.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V320 S352 | V320-G354 PolarHBondContact O-N 3.4Å; S352-G354 PolarHBondContact O-N 3.06Å |
| 355 | D | 89.3 | Confident | 85.9 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | trans | -58.5 | 147 | 172.5 | -72.9 | -27.6 | 0 | 0 | 0 | 111.1 | V320 S352 K371 | V320-D355 HydrophobicContact CB-CB 4.12Å; V320-D355 HydrophobicContact CG2-CB 3.66Å; V320-D355 WeakPolarHBondContact CG2-O 3.48Å; V320-D355 PolarHBondContact N-O 3.35Å; S352-D355 PolarHBondContact N-OD2 2.88Å; S352-D355 WeakPolarHBondContact O-CB 3.49Å; S352-D355 PolarHBondContact O-N 3.35Å; D355-K371 WeakPolarHBondContact OD1-CE 3.3Å; D355-K371 IonicContact OD1-NZ 2.88Å; D355-K371 PolarHBondContact OD1-NZ 3.13Å; D355-K371 VanDerWaalsContact OD2-CE 3.22Å; D355-K371 WeakPolarHBondContact OD2-CE 3.18Å; D355-K371 IonicContact OD2-NZ 2.65Å; D355-K371 PolarHBondContact OD2-NZ 2.81Å | ||
| 356 | I | 89.1 | Confident | 86.7 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.5 | 171.9 | -56.7 | -144 | 0 | 0 | 0 | 109.7 | Q317 Y318 V372 | Q317-I356 HydrophobicContact CB-CG2 3.92Å; Q317-I356 HydrophobicContact CG-CG2 3.88Å; Y318-I356 WeakPolarHBondContact O-CA 3.39Å; I356-V372 HydrophobicContact CB-CB 4.27Å; I356-V372 HydrophobicContact CB-CG2 4.28Å; I356-V372 HydrophobicContact CG2-CB 4.46Å; I356-V372 HydrophobicContact CG2-CG2 3.94Å; I356-V372 WeakPolarHBondContact O-CB 3.39Å; I356-V372 WeakPolarHBondContact O-CG2 3.43Å; I356-V372 PolarHBondContact O-N 2.79Å |
| 357 | I | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134 | -179.2 | -52.3 | -59.5 | 0 | 0 | 0 | 110.1 | Y318 V320 L351 K371 F388 | Y318-I357 PolarHBondContact N-O 2.66Å; Y318-I357 PolarHBondContact O-N 3.19Å; V320-I357 HydrophobicContact CG2-CD1 4.37Å; V320-I357 HydrophobicContact CG2-CG1 3.74Å; L351-I357 HydrophobicContact CD2-CD1 3.54Å; L351-I357 HydrophobicContact CD2-CG1 3.92Å; I357-K371 HydrophobicContact CD1-CB 3.62Å; I357-K371 HydrophobicContact CD1-CD 4.43Å; I357-K371 HydrophobicContact CD1-CG 3.74Å; I357-F388 HydrophobicContact CB-CZ 4.36Å; I357-F388 HydrophobicContact CG2-CE1 3.59Å; I357-F388 HydrophobicContact CG2-CE2 4.41Å; I357-F388 HydrophobicContact CG2-CZ 3.46Å; I357-F388 VanDerWaalsContact CG2-CZ 3.46Å |
| 358 | L | 87 | Confident | 87 | Confident | 49 Ų | 49 | 50 Ų | 50 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 97.3 | 170.1 | -69.1 | 172.6 | 0 | 0 | 0 | 108.8 | S314 Q317 T360 G369 D370 V372 | S314-L358 WeakPolarHBondContact O-CB 3.44Å; Q317-L358 HydrophobicContact CG-CD2 3.53Å; L358-T360 PolarHBondContact O-N 3.47Å; L358-G369 CarbonylContact O-C 3.43Å; L358-G369 WeakPolarHBondContact O-CA 3.35Å; L358-D370 PolarHBondContact N-O 3.25Å; L358-D370 PolarHBondContact O-N 3.23Å; L358-V372 HydrophobicContact CD1-CG2 3.87Å; L358-V372 HydrophobicContact CG-CG2 3.72Å |
| 359 | A | 83.1 | Confident | 86.9 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 124.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S314 Y318 M367 | S314-A359 WeakPolarHBondContact CA-O 3.48Å; Y318-A359 HydrophobicContact CD2-CB 3.49Å; Y318-A359 VanDerWaalsContact CD2-CB 3.49Å; Y318-A359 HydrophobicContact CE2-CB 3.45Å; Y318-A359 VanDerWaalsContact CE2-CB 3.45Å; Y318-A359 HydrophobicContact CG-CB 4.44Å; A359-M367 HydrophobicContact CB-SD 4.42Å |
| 360 | T | 76.8 | Confident | 86.8 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -29 | -176.2 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | L358 Y368 | L358-T360 PolarHBondContact O-N 3.47Å; T360-Y368 PolarHBondContact N-O 3.39Å; T360-Y368 WeakPolarHBondContact OG1-CD1 3.5Å; T360-Y368 PolarHBondContact OG1-O 2.92Å |
| 361 | R | 77.6 | Confident | 86.6 | Confident | 109 Ų | 109 | 47.1 Ų | 47.1 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 162.5 | 175.6 | 62 | 176.9 | 173 | -149.9 | -27.6 | 109.8 | E346 Y368 | E346-R361 IonicContact OE1-CZ 3.42Å; E346-R361 IonicContact OE1-NH1 3.57Å; E346-R361 PolarHBondContact OE1-NH1 3.32Å; E346-R361 IonicContact OE1-NH2 3.6Å; E346-R361 PolarHBondContact OE1-NH2 3.25Å; E346-R361 IonicContact OE2-CZ 3.33Å; E346-R361 VanDerWaalsContact OE2-CZ 3.32Å; E346-R361 IonicContact OE2-NH1 2.72Å; E346-R361 IonicContact OE2-NH2 3.6Å; E346-R361 PolarHBondContact OE2-NH2 3.13Å; R361-Y368 HydrophobicContact CG-CD1 4.5Å; R361-Y368 HydrophobicContact CG-CG 4.49Å; R361-Y368 PolarHBondContact N-O 3.48Å; R361-Y368 PolarHBondContact O-N 3.4Å |
| 362 | G | 79.6 | Confident | 86.3 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 46% | 0.464 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 162.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W366 | G362-W366 CarbonylContact C-O 3.54Å; G362-W366 WeakPolarHBondContact CA-O 3.49Å |
| 363 | T | 83.3 | Confident | 85.8 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 44% | 0.442 | 25% | 0.249 | S | C | . | . | trans | -100.4 | -175.6 | 166.3 | 69.1 | 0 | 0 | 0 | 0 | 109.2 | W365 W366 | T363-W365 PolarHBondContact O-N 2.82Å; T363-W365 PolarHBondContact OG1-N 3.32Å; T363-W366 PolarHBondContact N-O 3.36Å; T363-W366 PolarHBondContact OG1-N 2.94Å; T363-W366 VanDerWaalsContact OG1-N 3.15Å; T363-W366 PolarHBondContact OG1-O 2.95Å | ||
| 364 | K | 84.6 | Confident | 85.2 | Confident | 163 Ų | 163 | 46.2 Ų | 46.2 | 71% | 0.709 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -57.4 | -28 | 173.3 | -173 | 172.6 | -179.6 | 175.2 | 0 | 113.1 | R390 | K364-R390 VanDerWaalsContact O-CD 3.26Å; K364-R390 WeakPolarHBondContact O-CD 3.25Å |
| 365 | W | 88.6 | Confident | 84.2 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 27% | 0.269 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -118.1 | -21.2 | -170.6 | -53.3 | 100.7 | 0 | 0 | 0 | 114.6 | Q336 T363 R390 | Q336-W365 HydrophobicContact CB-CD2 4.03Å; Q336-W365 HydrophobicContact CB-CE3 3.9Å; Q336-W365 HydrophobicContact CB-CH2 3.63Å; Q336-W365 HydrophobicContact CB-CZ2 3.75Å; Q336-W365 HydrophobicContact CB-CZ3 3.71Å; Q336-W365 HydrophobicContact CG-CH2 3.88Å; Q336-W365 HydrophobicContact CG-CZ2 4Å; Q336-W365 HydrophobicContact CG-CZ3 4.4Å; T363-W365 PolarHBondContact O-N 2.82Å; T363-W365 PolarHBondContact OG1-N 3.32Å; W365-R390 PolarHBondContact O-N 3.25Å |
| 366 | W | 90.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.7 | -174.6 | -74.6 | 89.3 | 0 | 0 | 0 | 110.9 | P330 T337 R340 T341 P342 G362 T363 W387 F388 P389 | P330-W366 HydrophobicContact CG-CH2 3.68Å; P330-W366 HydrophobicContact CG-CZ2 3.72Å; T337-W366 HydrophobicContact CG2-CD2 4.4Å; T337-W366 HydrophobicContact CG2-CZ2 3.75Å; T337-W366 PolarHBondContact O-NE1 2.63Å; R340-W366 PolarHBondContact O-NE1 2.93Å; T341-W366 HydrophobicContact CG2-CZ2 4.12Å; P342-W366 VanDerWaalsContact CD-CE2 3.5Å; P342-W366 HydrophobicContact CG-CB 3.84Å; P342-W366 HydrophobicContact CG-CD2 3.93Å; P342-W366 HydrophobicContact CG-CE3 4.27Å; P342-W366 HydrophobicContact CG-CG 3.73Å; G362-W366 CarbonylContact C-O 3.54Å; G362-W366 WeakPolarHBondContact CA-O 3.49Å; T363-W366 PolarHBondContact N-O 3.36Å; T363-W366 PolarHBondContact OG1-N 2.94Å; T363-W366 VanDerWaalsContact OG1-N 3.15Å; T363-W366 PolarHBondContact OG1-O 2.95Å; W366-W387 HydrophobicContact CB-CE3 3.97Å; W366-W387 HydrophobicContact CB-CZ3 4.13Å; W366-W387 HydrophobicContact CE3-CB 4.14Å; W366-W387 HydrophobicContact CZ3-CB 4.32Å; W366-F388 VanDerWaalsContact CE3-C 3.41Å; W366-P389 HydrophobicContact CH2-CG 4.3Å; W366-P389 HydrophobicContact CZ3-CG 4.19Å |
| 367 | M | 89.1 | Confident | 81.5 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.6 | 173 | -62.1 | -156.8 | -65 | 0 | 0 | 110.5 | Y318 A359 W387 F388 R390 V393 | Y318-M367 HydrophobicContact CD1-CE 3.85Å; Y318-M367 HydrophobicContact CE1-CE 3.87Å; Y318-M367 HydrophobicContact CE1-SD 4.36Å; Y318-M367 HydrophobicContact CG-CE 4.27Å; A359-M367 HydrophobicContact CB-SD 4.42Å; M367-W387 CarbonylContact O-C 3.57Å; M367-W387 WeakPolarHBondContact O-CA 3.47Å; M367-F388 HydrophobicContact CB-CD2 4.23Å; M367-F388 HydrophobicContact CB-CE2 3.6Å; M367-F388 HydrophobicContact CB-CZ 3.74Å; M367-F388 HydrophobicContact CE-CE2 3.99Å; M367-F388 PolarHBondContact N-O 3.19Å; M367-F388 PolarHBondContact O-N 3.43Å; M367-R390 HydrophobicContact CE-CG 3.98Å; M367-R390 HydrophobicContact CG-CB 3.97Å; M367-R390 HydrophobicContact CG-CG 3.97Å; M367-R390 HydrophobicContact SD-CG 3.95Å; M367-R390 PolarHBondContact SD-NH1 3.33Å; M367-R390 VanDerWaalsContact SD-NH1 3.41Å; M367-V393 HydrophobicContact CE-CG2 3Å |
| 368 | Y | 88.3 | Confident | 80 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.3 | 179 | -175 | -87.7 | 0 | 0 | 0 | 108.9 | E346 T360 R361 R385 G386 W387 | E346-Y368 HydrophobicContact CB-CE2 3.85Å; T360-Y368 PolarHBondContact N-O 3.39Å; T360-Y368 WeakPolarHBondContact OG1-CD1 3.5Å; T360-Y368 PolarHBondContact OG1-O 2.92Å; R361-Y368 HydrophobicContact CG-CD1 4.5Å; R361-Y368 HydrophobicContact CG-CG 4.49Å; R361-Y368 PolarHBondContact N-O 3.48Å; R361-Y368 PolarHBondContact O-N 3.4Å; Y368-R385 WeakPolarHBondContact OH-CD 3.42Å; Y368-R385 WeakPolarHBondContact OH-CG 3.31Å; Y368-G386 WeakPolarHBondContact CA-O 3.16Å; Y368-G386 WeakPolarHBondContact CD2-O 3.35Å; Y368-G386 VanDerWaalsContact CE2-CA 3.42Å; Y368-W387 HydrophobicContact CD2-CB 4.47Å; Y368-W387 AromaticContact CD2-CD1 3.64Å; Y368-W387 AromaticContact CD2-CD2 3.75Å; Y368-W387 HydrophobicContact CD2-CD2 3.75Å; Y368-W387 AromaticContact CD2-CE2 3.7Å; Y368-W387 HydrophobicContact CD2-CE3 4.46Å; Y368-W387 AromaticContact CD2-CG 3.73Å; Y368-W387 HydrophobicContact CD2-CG 3.73Å; Y368-W387 HydrophobicContact CD2-CZ2 4.37Å; Y368-W387 AromaticContact CD2-NE1 3.6Å; Y368-W387 HydrophobicContact CG-CD2 4.31Å |
| 369 | G | 88.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 173.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L358 R385 G386 | L358-G369 CarbonylContact O-C 3.43Å; L358-G369 WeakPolarHBondContact O-CA 3.35Å; G369-R385 VanDerWaalsContact O-CA 3.32Å; G369-R385 WeakPolarHBondContact O-CA 3.28Å; G369-G386 PolarHBondContact N-O 2.98Å; G369-G386 PolarHBondContact O-N 2.97Å; G369-G386 VanDerWaalsContact O-N 3.09Å |
| 370 | D | 88.4 | Confident | 77.4 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 15% | 0.15 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.5 | 173.8 | -64.6 | -21.7 | 0 | 0 | 0 | 108.1 | L358 R383 V384 R385 | L358-D370 PolarHBondContact N-O 3.25Å; L358-D370 PolarHBondContact O-N 3.23Å; D370-R383 IonicContact OD2-CZ 3.49Å; D370-R383 IonicContact OD2-NE 4Å; D370-R383 IonicContact OD2-NH2 2.79Å; D370-R383 PolarHBondContact OD2-NH2 2.87Å; D370-V384 WeakPolarHBondContact CA-O 3.47Å; D370-R385 WeakPolarHBondContact OD1-CB 3.44Å |
| 371 | K | 87.8 | Confident | 76.5 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 23% | 0.226 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.2 | 169.7 | -178.8 | 171.8 | 170.6 | 167 | 0 | 108.9 | D355 I357 L373 V384 | D355-K371 WeakPolarHBondContact OD1-CE 3.3Å; D355-K371 IonicContact OD1-NZ 2.88Å; D355-K371 PolarHBondContact OD1-NZ 3.13Å; D355-K371 VanDerWaalsContact OD2-CE 3.22Å; D355-K371 WeakPolarHBondContact OD2-CE 3.18Å; D355-K371 IonicContact OD2-NZ 2.65Å; D355-K371 PolarHBondContact OD2-NZ 2.81Å; I357-K371 HydrophobicContact CD1-CB 3.62Å; I357-K371 HydrophobicContact CD1-CD 4.43Å; I357-K371 HydrophobicContact CD1-CG 3.74Å; K371-L373 HydrophobicContact CB-CD2 4.42Å; K371-L373 HydrophobicContact CD-CD2 4.23Å; K371-L373 HydrophobicContact CG-CD2 4.07Å; K371-L373 PolarHBondContact O-N 3.01Å; K371-V384 HydrophobicContact CB-CB 4.37Å; K371-V384 HydrophobicContact CB-CG1 4.44Å; K371-V384 PolarHBondContact N-O 3.16Å |
| 372 | V | 84.2 | Confident | 76 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | trans | -74.3 | 113 | 172.8 | -178.1 | 0 | 0 | 0 | 0 | 106.8 | I356 L358 | I356-V372 HydrophobicContact CB-CB 4.27Å; I356-V372 HydrophobicContact CB-CG2 4.28Å; I356-V372 HydrophobicContact CG2-CB 4.46Å; I356-V372 HydrophobicContact CG2-CG2 3.94Å; I356-V372 WeakPolarHBondContact O-CB 3.39Å; I356-V372 WeakPolarHBondContact O-CG2 3.43Å; I356-V372 PolarHBondContact O-N 2.79Å; L358-V372 HydrophobicContact CD1-CG2 3.87Å; L358-V372 HydrophobicContact CG-CG2 3.72Å | ||
| 373 | L | 80.7 | Confident | 75.7 | Confident | 20 Ų | 20 | 83 Ų | 83 | 11% | 0.105 | 42% | 0.418 | C | S | . | . | trans | -95.1 | 159.9 | -179.6 | -61.3 | -178.6 | 0 | 0 | 0 | 110.1 | K371 E377 M378 D382 V384 | K371-L373 HydrophobicContact CB-CD2 4.42Å; K371-L373 HydrophobicContact CD-CD2 4.23Å; K371-L373 HydrophobicContact CG-CD2 4.07Å; K371-L373 PolarHBondContact O-N 3.01Å; L373-E377 HydrophobicContact CB-CB 3.81Å; L373-E377 WeakPolarHBondContact CB-OE2 3.3Å; L373-E377 HydrophobicContact CD1-CB 4.16Å; L373-M378 HydrophobicContact CB-CG 4.43Å; L373-D382 HydrophobicContact CD1-CB 4.36Å; L373-D382 VanDerWaalsContact CD1-O 3.31Å; L373-D382 WeakPolarHBondContact CD1-O 3.27Å; L373-V384 HydrophobicContact CD1-CG2 4.09Å; L373-V384 HydrophobicContact CD2-CG2 4.32Å | ||
| 374 | N | 77.4 | Confident | 75.8 | Confident | 124 Ų | 124 | 82.2 Ų | 82.2 | 66% | 0.663 | 41% | 0.413 | S | S | * | . | trans | -69 | 162.1 | 179.2 | -69.9 | -18.9 | 0 | 0 | 0 | 111.3 | E376 E377 M378 | N374-E376 PolarHBondContact O-N 2.78Å; N374-E376 VanDerWaalsContact O-N 3.09Å; N374-E377 PolarHBondContact N-OE2 2.93Å; N374-E377 PolarHBondContact O-N 3.41Å; N374-E377 VanDerWaalsContact O-N 3.07Å; N374-M378 PolarHBondContact O-N 2.92Å | ||
| 375 | E | 64.6 | Low | 75.9 | Confident | 153 Ų | 153 | 80.2 Ų | 80.2 | 72% | 0.715 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.6 | -30.6 | -175 | -69.1 | -169.2 | 167.1 | 0 | 0 | 114.1 | K379 | E375-K379 WeakPolarHBondContact O-CG 3.46Å; E375-K379 PolarHBondContact O-N 3.46Å; E375-K379 VanDerWaalsContact O-N 3.17Å |
| 376 | E | 62.3 | Low | 75.9 | Confident | 166 Ų | 166 | 76.9 Ų | 76.9 | 78% | 0.776 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -71.5 | -42.5 | 177.1 | -65.7 | -176.1 | 163.6 | 0 | 0 | 112.4 | N374 K379 A380 | N374-E376 PolarHBondContact O-N 2.78Å; N374-E376 VanDerWaalsContact O-N 3.09Å; E376-K379 PolarHBondContact O-N 3.3Å; E376-A380 PolarHBondContact O-N 3.45Å |
| 377 | E | 59.6 | Low | 76 | Confident | 89 Ų | 89 | 77.7 Ų | 77.7 | 42% | 0.416 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.7 | -34.4 | 176.2 | -64.7 | 175.9 | 140.5 | 0 | 0 | 111.3 | L373 N374 K379 A380 G381 | L373-E377 HydrophobicContact CB-CB 3.81Å; L373-E377 WeakPolarHBondContact CB-OE2 3.3Å; L373-E377 HydrophobicContact CD1-CB 4.16Å; N374-E377 PolarHBondContact N-OE2 2.93Å; N374-E377 PolarHBondContact O-N 3.41Å; N374-E377 VanDerWaalsContact O-N 3.07Å; E377-K379 VanDerWaalsContact C-N 3.31Å; E377-K379 PolarHBondContact O-N 3.44Å; E377-A380 PolarHBondContact O-N 2.95Å; E377-G381 PolarHBondContact O-N 3.45Å |
| 378 | M | 58.8 | Low | 76.1 | Confident | 125 Ų | 125 | 77.5 Ų | 77.5 | 62% | 0.616 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.4 | -35.4 | 172.2 | -76.4 | -172.1 | 60.4 | 0 | 0 | 112.4 | L373 N374 A380 G381 | L373-M378 HydrophobicContact CB-CG 4.43Å; N374-M378 PolarHBondContact O-N 2.92Å; M378-A380 VanDerWaalsContact C-N 3.35Å; M378-G381 PolarHBondContact O-N 3.02Å |
| 379 | K | 55 | Low | 76.3 | Confident | 176 Ų | 176 | 77 Ų | 77 | 77% | 0.765 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.8 | -28.3 | 176.2 | -77.8 | 173.4 | -176.2 | 171 | 0 | 112.9 | E375 E376 E377 G381 | E375-K379 WeakPolarHBondContact O-CG 3.46Å; E375-K379 PolarHBondContact O-N 3.46Å; E375-K379 VanDerWaalsContact O-N 3.17Å; E376-K379 PolarHBondContact O-N 3.3Å; E377-K379 VanDerWaalsContact C-N 3.31Å; E377-K379 PolarHBondContact O-N 3.44Å; K379-G381 PolarHBondContact O-N 3.44Å |
| 380 | A | 60.1 | Low | 76.4 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E376 E377 M378 D382 | E376-A380 PolarHBondContact O-N 3.45Å; E377-A380 PolarHBondContact O-N 2.95Å; M378-A380 VanDerWaalsContact C-N 3.35Å; A380-D382 VanDerWaalsContact C-N 3.29Å |
| 381 | G | 57.9 | Low | 76.5 | Confident | 58 Ų | 58 | 85.7 Ų | 85.7 | 60% | 0.598 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 8.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E377 M378 K379 R383 | E377-G381 PolarHBondContact O-N 3.45Å; M378-G381 PolarHBondContact O-N 3.02Å; K379-G381 PolarHBondContact O-N 3.44Å; G381-R383 PolarHBondContact O-N 2.89Å |
| 382 | D | 67 | Low | 76.7 | Confident | 109 Ų | 109 | 83.2 Ų | 83.2 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | trans | -70.9 | 129.3 | 179.9 | -77.7 | -32.8 | 0 | 0 | 0 | 110.7 | L373 A380 | L373-D382 HydrophobicContact CD1-CB 4.36Å; L373-D382 VanDerWaalsContact CD1-O 3.31Å; L373-D382 WeakPolarHBondContact CD1-O 3.27Å; A380-D382 VanDerWaalsContact C-N 3.29Å | ||
| 383 | R | 74.1 | Confident | 77 | Confident | 189 Ų | 189 | 80.9 Ų | 80.9 | 71% | 0.713 | 39% | 0.394 | S | S | * | . | trans | -123.4 | 104 | 175.9 | -87.5 | -176.4 | 121.2 | -152 | -10.3 | 109.6 | D370 G381 R385 | D370-R383 IonicContact OD2-CZ 3.49Å; D370-R383 IonicContact OD2-NE 4Å; D370-R383 IonicContact OD2-NH2 2.79Å; D370-R383 PolarHBondContact OD2-NH2 2.87Å; G381-R383 PolarHBondContact O-N 2.89Å; R383-R385 PolarHBondContact O-N 3.39Å | ||
| 384 | V | 84.3 | Confident | 77.4 | Confident | 55 Ų | 55 | 86.1 Ų | 86.1 | 33% | 0.333 | 42% | 0.418 | S | S | . | . | trans | -86.8 | 107.9 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 109 | I349 D370 K371 L373 | I349-V384 HydrophobicContact CB-CG1 4.22Å; I349-V384 HydrophobicContact CG2-CG1 3.57Å; D370-V384 WeakPolarHBondContact CA-O 3.47Å; K371-V384 HydrophobicContact CB-CB 4.37Å; K371-V384 HydrophobicContact CB-CG1 4.44Å; K371-V384 PolarHBondContact N-O 3.16Å; L373-V384 HydrophobicContact CD1-CG2 4.09Å; L373-V384 HydrophobicContact CD2-CG2 4.32Å | ||
| 385 | R | 87.3 | Confident | 77.9 | Confident | 122 Ų | 122 | 85.6 Ų | 85.6 | 46% | 0.46 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.9 | -177.8 | 69.7 | 179 | -172.4 | 164.4 | 3.7 | 111.4 | P347 I349 Y368 G369 D370 R383 | P347-R385 WeakPolarHBondContact CG-O 2.95Å; I349-R385 WeakPolarHBondContact CG2-O 3.45Å; Y368-R385 WeakPolarHBondContact OH-CD 3.42Å; Y368-R385 WeakPolarHBondContact OH-CG 3.31Å; G369-R385 VanDerWaalsContact O-CA 3.32Å; G369-R385 WeakPolarHBondContact O-CA 3.28Å; D370-R385 WeakPolarHBondContact OD1-CB 3.44Å; R383-R385 PolarHBondContact O-N 3.39Å |
| 386 | G | 89.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 179.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P347 Y368 G369 F388 | P347-G386 CarbonylContact O-C 3.43Å; P347-G386 WeakPolarHBondContact O-CA 3.35Å; Y368-G386 WeakPolarHBondContact CA-O 3.16Å; Y368-G386 WeakPolarHBondContact CD2-O 3.35Å; Y368-G386 VanDerWaalsContact CE2-CA 3.42Å; G369-G386 PolarHBondContact N-O 2.98Å; G369-G386 PolarHBondContact O-N 2.97Å; G369-G386 VanDerWaalsContact O-N 3.09Å; G386-F388 WeakPolarHBondContact O-CD1 3.24Å |
| 387 | W | 91.2 | Very high | 79.4 | Confident | 17 Ų | 17 | 79.4 Ų | 79.4 | 6% | 0.064 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141.3 | 173.3 | -71.6 | 103 | 0 | 0 | 0 | 111.6 | P342 T344 E346 P347 R348 I349 W366 M367 Y368 | P342-W387 HydrophobicContact CB-CD2 3.92Å; P342-W387 HydrophobicContact CB-CE3 4.31Å; P342-W387 HydrophobicContact CB-CG 4.28Å; P342-W387 HydrophobicContact CB-CZ2 4.19Å; P342-W387 HydrophobicContact CG-CD2 3.7Å; P342-W387 HydrophobicContact CG-CE3 3.66Å; P342-W387 HydrophobicContact CG-CG 4.18Å; P342-W387 HydrophobicContact CG-CH2 4.42Å; P342-W387 HydrophobicContact CG-CZ2 4.47Å; P342-W387 HydrophobicContact CG-CZ3 4.03Å; T344-W387 PolarHBondContact OG1-NE1 3.15Å; E346-W387 PolarHBondContact OE2-NE1 3.09Å; P347-W387 PolarHBondContact O-N 3.32Å; R348-W387 WeakPolarHBondContact CA-O 3.15Å; R348-W387 HydrophobicContact CG-CB 3.96Å; I349-W387 PolarHBondContact N-O 3.3Å; W366-W387 HydrophobicContact CB-CE3 3.97Å; W366-W387 HydrophobicContact CB-CZ3 4.13Å; W366-W387 HydrophobicContact CE3-CB 4.14Å; W366-W387 HydrophobicContact CZ3-CB 4.32Å; M367-W387 CarbonylContact O-C 3.57Å; M367-W387 WeakPolarHBondContact O-CA 3.47Å; Y368-W387 HydrophobicContact CD2-CB 4.47Å; Y368-W387 AromaticContact CD2-CD1 3.64Å; Y368-W387 AromaticContact CD2-CD2 3.75Å; Y368-W387 HydrophobicContact CD2-CD2 3.75Å; Y368-W387 AromaticContact CD2-CE2 3.7Å; Y368-W387 HydrophobicContact CD2-CE3 4.46Å; Y368-W387 AromaticContact CD2-CG 3.73Å; Y368-W387 HydrophobicContact CD2-CG 3.73Å; Y368-W387 HydrophobicContact CD2-CZ2 4.37Å; Y368-W387 AromaticContact CD2-NE1 3.6Å; Y368-W387 HydrophobicContact CG-CD2 4.31Å |
| 388 | F | 92.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 155 | 173 | 53.4 | -90.1 | 0 | 0 | 0 | 111 | Y324 I349 L351 I357 W366 M367 G386 V393 | Y324-F388 HydrophobicContact CD1-CB 4Å; Y324-F388 HydrophobicContact CE1-CB 4.11Å; I349-F388 HydrophobicContact CD1-CD1 3.88Å; I349-F388 HydrophobicContact CD1-CE1 4.29Å; I349-F388 HydrophobicContact CG1-CD1 4Å; L351-F388 HydrophobicContact CD1-CB 3.53Å; L351-F388 HydrophobicContact CD1-CD2 3.82Å; L351-F388 HydrophobicContact CD1-CG 3.72Å; L351-F388 HydrophobicContact CG-CB 4.21Å; I357-F388 HydrophobicContact CB-CZ 4.36Å; I357-F388 HydrophobicContact CG2-CE1 3.59Å; I357-F388 HydrophobicContact CG2-CE2 4.41Å; I357-F388 HydrophobicContact CG2-CZ 3.46Å; I357-F388 VanDerWaalsContact CG2-CZ 3.46Å; W366-F388 VanDerWaalsContact CE3-C 3.41Å; M367-F388 HydrophobicContact CB-CD2 4.23Å; M367-F388 HydrophobicContact CB-CE2 3.6Å; M367-F388 HydrophobicContact CB-CZ 3.74Å; M367-F388 HydrophobicContact CE-CE2 3.99Å; M367-F388 PolarHBondContact N-O 3.19Å; M367-F388 PolarHBondContact O-N 3.43Å; G386-F388 WeakPolarHBondContact O-CD1 3.24Å; F388-V393 HydrophobicContact CD2-CG1 3.98Å; F388-V393 HydrophobicContact CE2-CG1 3.77Å; F388-V393 HydrophobicContact CE2-CG2 3.86Å |
| 389 | P | 92.6 | Very high | 78.3 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 135.5 | 177.4 | -24.9 | 36.1 | 0 | 0 | 0 | 112.4 | Y324 P330 K333 T337 W366 R391 C392 | Y324-P389 HydrophobicContact CD2-CG 4.27Å; Y324-P389 HydrophobicContact CE2-CG 4.27Å; Y324-P389 HydrophobicContact CG-CG 4.44Å; P330-P389 HydrophobicContact CG-CG 4.14Å; K333-P389 HydrophobicContact CB-CB 4.38Å; K333-P389 HydrophobicContact CB-CG 4.22Å; K333-P389 HydrophobicContact CG-CG 4.21Å; T337-P389 HydrophobicContact CG2-CB 3.9Å; T337-P389 HydrophobicContact CG2-CG 4.1Å; W366-P389 HydrophobicContact CH2-CG 4.3Å; W366-P389 HydrophobicContact CZ3-CG 4.19Å; P389-R391 HydrophobicContact CB-CG 4.19Å; P389-R391 PolarHBondContact O-N 2.84Å; P389-C392 PolarHBondContact O-N 2.99Å; P389-C392 VanDerWaalsContact O-N 3.15Å |
| 390 | R | 90.1 | Very high | 77.5 | Confident | 109 Ų | 109 | 82.8 Ų | 82.8 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -59.6 | -34 | -179.9 | -176.4 | 178.1 | -179 | 101.8 | 0.1 | 112.7 | K364 W365 M367 C392 V393 | K364-R390 VanDerWaalsContact O-CD 3.26Å; K364-R390 WeakPolarHBondContact O-CD 3.25Å; W365-R390 PolarHBondContact O-N 3.25Å; M367-R390 HydrophobicContact CE-CG 3.98Å; M367-R390 HydrophobicContact CG-CB 3.97Å; M367-R390 HydrophobicContact CG-CG 3.97Å; M367-R390 HydrophobicContact SD-CG 3.95Å; M367-R390 PolarHBondContact SD-NH1 3.33Å; M367-R390 VanDerWaalsContact SD-NH1 3.41Å; R390-C392 PolarHBondContact O-N 3.34Å; R390-V393 PolarHBondContact O-N 3.11Å; R390-V393 VanDerWaalsContact O-O 3.12Å |
| 391 | R | 90.6 | Very high | 76.2 | Confident | 103 Ų | 103 | 83.6 Ų | 83.6 | 39% | 0.389 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -63.5 | -23.9 | -179.4 | 75.6 | 178.3 | 70.9 | -156.2 | -7.8 | 113.9 | K333 T337 P389 V393 | K333-R391 PolarHBondContact O-NE 2.87Å; K333-R391 PolarHBondContact O-NH1 3.48Å; K333-R391 PolarHBondContact O-NH2 3.36Å; T337-R391 PolarHBondContact OG1-NH2 3.4Å; P389-R391 HydrophobicContact CB-CG 4.19Å; P389-R391 PolarHBondContact O-N 2.84Å; R391-V393 PolarHBondContact O-N 2.96Å |
| 392 | C | 90.6 | Very high | 75.1 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -77.8 | -6 | -174.7 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | V320 V321 E322 L351 P389 R390 | V320-C392 CarbonylContact C-O 3.55Å; V320-C392 WeakPolarHBondContact CA-O 3.23Å; V321-C392 PolarHBondContact N-O 3.34Å; E322-C392 HydrophobicContact CB-CB 4.32Å; E322-C392 PolarHBondContact N-O 3.13Å; E322-C392 WeakPolarHBondContact O-CB 3.45Å; L351-C392 HydrophobicContact CD1-CB 4.32Å; P389-C392 PolarHBondContact O-N 2.99Å; P389-C392 VanDerWaalsContact O-N 3.15Å; R390-C392 PolarHBondContact O-N 3.34Å |
| 393 | V | 90.7 | Very high | 73.5 | Confident | 11 Ų | 11 | 87 Ų | 87 | 7% | 0.067 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.6 | -176.2 | -47.6 | 0 | 0 | 0 | 0 | 111.7 | Y318 Q319 V320 L351 M367 F388 R390 R391 | Y318-V393 HydrophobicContact CD1-CG2 3.82Å; Y318-V393 HydrophobicContact CG-CG2 4.09Å; Q319-V393 CarbonylContact O-C 3.41Å; Q319-V393 WeakPolarHBondContact O-CA 3.21Å; V320-V393 HydrophobicContact CG2-CG1 3.92Å; L351-V393 HydrophobicContact CD1-CG1 4.11Å; M367-V393 HydrophobicContact CE-CG2 3Å; F388-V393 HydrophobicContact CD2-CG1 3.98Å; F388-V393 HydrophobicContact CE2-CG1 3.77Å; F388-V393 HydrophobicContact CE2-CG2 3.86Å; R390-V393 PolarHBondContact O-N 3.11Å; R390-V393 VanDerWaalsContact O-O 3.12Å; R391-V393 PolarHBondContact O-N 2.96Å |
| 394 | E | 90.3 | Very high | 71.5 | Confident | 130 Ų | 130 | 85.2 Ų | 85.2 | 61% | 0.607 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.8 | 173.4 | -73.5 | -175.6 | 172.5 | 0 | 0 | 110.2 | Y318 Q319 V321 C396 | Y318-E394 CarbonylContact C-O 3.6Å; Y318-E394 WeakPolarHBondContact CA-O 3.35Å; Y318-E394 WeakPolarHBondContact CB-O 3.29Å; Q319-E394 PolarHBondContact N-O 3.07Å; Q319-E394 PolarHBondContact O-N 2.81Å; V321-E394 HydrophobicContact CG1-CB 3.97Å; V321-E394 HydrophobicContact CG1-CG 3.79Å; V321-E394 HydrophobicContact CG2-CG 4.14Å; E394-C396 PolarHBondContact O-N 3.5Å |
| 395 | K | 87.7 | Confident | 69.1 | Low | 114 Ų | 114 | 87.3 Ų | 87.3 | 50% | 0.496 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 126.8 | -178.5 | -172.9 | -179.6 | 174 | -172.6 | 0 | 108.6 | V316 Y318 H397 | V316-K395 HydrophobicContact CG1-CD 4.02Å; V316-K395 HydrophobicContact CG1-CG 3.78Å; Y318-K395 HydrophobicContact CD1-CB 4.03Å; Y318-K395 HydrophobicContact CE1-CB 3.74Å; Y318-K395 HydrophobicContact CE1-CG 4.16Å; K395-H397 PolarHBondContact O-CD2 3.37Å; K395-H397 PolarHBondContact O-N 2.86Å |
| 396 | C | 83.9 | Confident | 66.5 | Low | 30 Ų | 30 | 88.1 Ų | 88.1 | 20% | 0.203 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 118.8 | 172 | -59.6 | 0 | 0 | 0 | 0 | 108.6 | Q317 Q319 E394 | Q317-C396 HydrophobicContact CB-CB 4.14Å; Q317-C396 WeakPolarHBondContact O-CB 3.24Å; Q317-C396 PolarHBondContact O-N 3.04Å; Q319-C396 PolarHBondContact N-SG 3.27Å; E394-C396 PolarHBondContact O-N 3.5Å |
| 397 | H | 73.2 | Confident | 64 | Low | 158 Ų | 158 | 92.5 Ų | 92.5 | 73% | 0.731 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -83 | 118 | 168.3 | -73.6 | -91.2 | 0 | 0 | 0 | 107.4 | K395 D399 | K395-H397 PolarHBondContact O-CD2 3.37Å; K395-H397 PolarHBondContact O-N 2.86Å; H397-D399 PolarHBondContact O-N 3.35Å |
| 398 | Y | 57.7 | Low | 61.4 | Low | 168 Ų | 168 | 99.1 Ų | 99.1 | 66% | 0.659 | 54% | 0.539 | S | S | * | . | trans | -76.1 | 106.6 | 166.4 | -80.6 | -91 | 0 | 0 | 0 | 106.9 | Q317 T400 | Q317-Y398 VanDerWaalsContact CD-OH 3.26Å; Q317-Y398 PolarHBondContact NE2-OH 2.68Å; Q317-Y398 PolarHBondContact OE1-OH 3.17Å; Y398-T400 PolarHBondContact O-N 3.07Å; Y398-T400 VanDerWaalsContact O-N 3.15Å | ||
| 399 | D | 38 | Very low | 58.5 | Low | 137 Ų | 137 | 108.3 Ų | 108.3 | 73% | 0.733 | 58% | 0.579 | S | S | * | * | trans | -66.6 | 109.6 | 168.5 | -74.8 | -29.1 | 0 | 0 | 0 | 108.4 | H397 A401 | H397-D399 PolarHBondContact O-N 3.35Å; D399-A401 PolarHBondContact O-N 3.1Å | ||
| 400 | T | 37.4 | Very low | 55.6 | Low | 156 Ų | 156 | 117 Ų | 117 | 96% | 0.957 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 29.1 | 168.7 | 14.1 | 0 | 0 | 0 | 0 | 113.1 | Y398 | Y398-T400 PolarHBondContact O-N 3.07Å; Y398-T400 VanDerWaalsContact O-N 3.15Å |
| 401 | A | 33.4 | Very low | 53.1 | Low | 89 Ų | 89 | 118.9 Ų | 118.9 | 74% | 0.736 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 22.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D399 | D399-A401 PolarHBondContact O-N 3.1Š|
| 402 | A | 34.5 | Very low | 50.4 | Low | 75 Ų | 75 | 124.2 Ų | 124.2 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -126.7 | 21.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 403 | N | 34.5 | Very low | 48.4 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -116.6 | 13 | 172.2 | -99.4 | 7.6 | 0 | 0 | 0 | 114.2 | ||
| 404 | D | 32.5 | Very low | 46.2 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -121.5 | 22.3 | -178.2 | -134.5 | 12.4 | 0 | 0 | 0 | 113.8 | ||
| 405 | S | 32.4 | Very low | 43.8 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -123.3 | 27.8 | -179.4 | 62.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 406 | T | 33.7 | Very low | 41.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -136 | 41.8 | 168.7 | 45.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 407 | S | 35.8 | Very low | 38.5 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -135 | 61.3 | 159.4 | 69.9 | 0 | 0 | 0 | 0 | 111 | ||
| 408 | D | 36.4 | Very low | 36.2 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -170.6 | 100.2 | 151.6 | -99.9 | -25.9 | 0 | 0 | 0 | 110.2 | ||||
| 409 | K | 32.1 | Very low | 34.7 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | 179.1 | 105.8 | 131.3 | -95.5 | 161.5 | -169.6 | 179.6 | 0 | 111.9 | ||||
| 410 | K | 32.6 | Very low | 34.4 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | trans | 60.1 | 109.7 | 131.8 | -62.9 | -175.5 | 175.2 | -172.2 | 0 | 118.7 | ||||
| 411 | V | 36.1 | Very low | 34.1 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -102.5 | 119.8 | 136 | 177 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 412 | N | 35.7 | Very low | 34.2 | Very low | 215 Ų | 215 | 146.9 Ų | 146.9 | 100% | 1.15 | 82% | 0.819 | S | S | * | * | trans | -67.6 | 0 | 163.8 | -83.7 | -17.7 | 0 | 0 | 0 | 110.3 |
Retrieved 412 of 412 residues in 228 ms
(Link to these results)