| 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 | 73.1 | Confident | 89.9 | Confident | 144 Ų | 144 | 69.1 Ų | 69.1 | 71% | 0.709 | 32% | 0.316 | S | S | * | . | 0 | -63.3 | 0 | -92.9 | -63.7 | 178 | 0 | 0 | 114.8 | E3 R5 | M1-E3 PolarHBondContact O-N 3.36Å; M1-R5 PolarHBondContact O-N 3.03Å; M1-R5 VanDerWaalsContact O-N 3.13Å; M1-R5 PolarHBondContact SD-NH1 3.23Å | |||
| 2 | S | 83.3 | Confident | 89.9 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 48% | 0.476 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.6 | -48.5 | -177.1 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | R5 K6 | S2-R5 CarbonylContact O-C 3.42Å; S2-R5 WeakPolarHBondContact O-CB 3.45Å; S2-R5 PolarHBondContact O-N 3.19Å; S2-R5 VanDerWaalsContact O-N 3.16Å; S2-K6 PolarHBondContact O-N 2.86Å; S2-K6 VanDerWaalsContact O-N 3.08Å |
| 3 | E | 89 | Confident | 90.2 | Very high | 95 Ų | 95 | 79.4 Ų | 79.4 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.4 | -37.2 | -176.6 | -55.9 | -36.9 | 105.9 | 0 | 0 | 112 | M1 R5 K6 I7 | M1-E3 PolarHBondContact O-N 3.36Å; E3-R5 VanDerWaalsContact C-N 3.28Å; E3-R5 PolarHBondContact O-N 3.47Å; E3-K6 CarbonylContact O-C 3.53Å; E3-K6 WeakPolarHBondContact O-CA 3.31Å; E3-K6 VanDerWaalsContact O-CB 3.24Å; E3-K6 WeakPolarHBondContact O-CB 3.38Å; E3-K6 PolarHBondContact O-N 3.23Å; E3-K6 VanDerWaalsContact OE2-CD 3.31Å; E3-K6 WeakPolarHBondContact OE2-CD 3.35Å; E3-I7 WeakPolarHBondContact O-CG1 3.3Å; E3-I7 PolarHBondContact O-N 2.92Å |
| 4 | V | 90.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 73.7 Ų | 73.7 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.6 | -47.6 | 168 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | K6 I7 I8 L121 | V4-K6 PolarHBondContact O-N 3.3Å; V4-I7 PolarHBondContact O-N 3.03Å; V4-I8 HydrophobicContact CG1-CD1 3.61Å; V4-I8 HydrophobicContact CG1-CG1 4.43Å; V4-I8 WeakPolarHBondContact O-CB 3.47Å; V4-I8 VanDerWaalsContact O-CG1 3.25Å; V4-I8 WeakPolarHBondContact O-CG1 3.46Å; V4-I8 PolarHBondContact O-N 3.27Å; V4-L121 HydrophobicContact CG1-CB 4.49Å; V4-L121 WeakPolarHBondContact CG1-O 3.22Å; V4-L121 WeakPolarHBondContact CG2-O 3.41Å |
| 5 | R | 90.3 | Very high | 90.4 | Very high | 145 Ų | 145 | 69.5 Ų | 69.5 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.1 | -15.9 | 174.9 | -66.7 | -170 | -64.5 | -106.7 | 8.4 | 113.8 | M1 S2 E3 R9 | M1-R5 PolarHBondContact O-N 3.03Å; M1-R5 VanDerWaalsContact O-N 3.13Å; M1-R5 PolarHBondContact SD-NH1 3.23Å; S2-R5 CarbonylContact O-C 3.42Å; S2-R5 WeakPolarHBondContact O-CB 3.45Å; S2-R5 PolarHBondContact O-N 3.19Å; S2-R5 VanDerWaalsContact O-N 3.16Å; E3-R5 VanDerWaalsContact C-N 3.28Å; E3-R5 PolarHBondContact O-N 3.47Å; R5-R9 WeakPolarHBondContact O-CG 3.41Å; R5-R9 PolarHBondContact O-NE 2.96Å; R5-R9 PolarHBondContact O-NH2 2.99Å |
| 6 | K | 93.6 | Very high | 90.3 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -80.5 | -52.9 | 170.1 | -179.7 | -168.8 | 168.5 | -134.3 | 0 | 110.3 | S2 E3 V4 I8 R9 H10 E47 | S2-K6 PolarHBondContact O-N 2.86Å; S2-K6 VanDerWaalsContact O-N 3.08Å; E3-K6 CarbonylContact O-C 3.53Å; E3-K6 WeakPolarHBondContact O-CA 3.31Å; E3-K6 VanDerWaalsContact O-CB 3.24Å; E3-K6 WeakPolarHBondContact O-CB 3.38Å; E3-K6 PolarHBondContact O-N 3.23Å; E3-K6 VanDerWaalsContact OE2-CD 3.31Å; E3-K6 WeakPolarHBondContact OE2-CD 3.35Å; V4-K6 PolarHBondContact O-N 3.3Å; K6-I8 VanDerWaalsContact C-N 3.32Å; K6-I8 PolarHBondContact O-N 3.1Å; K6-R9 VanDerWaalsContact CA-NH2 3.29Å; K6-R9 WeakPolarHBondContact O-CA 3.38Å; K6-R9 WeakPolarHBondContact O-CB 3.29Å; K6-R9 PolarHBondContact O-N 2.98Å; K6-H10 PolarHBondContact O-CD2 2.74Å; K6-H10 PolarHBondContact O-N 3Å; K6-E47 WeakPolarHBondContact CE-OE2 3.36Å; K6-E47 IonicContact NZ-OE1 3.39Å; K6-E47 IonicContact NZ-OE2 2.65Å; K6-E47 PolarHBondContact NZ-OE2 3.26Å |
| 7 | I | 94.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | -179.6 | -53.2 | 158.5 | 0 | 0 | 0 | 110.8 | E3 V4 R9 H10 C11 E47 V48 R51 L121 | E3-I7 WeakPolarHBondContact O-CG1 3.3Å; E3-I7 PolarHBondContact O-N 2.92Å; V4-I7 PolarHBondContact O-N 3.03Å; I7-R9 PolarHBondContact O-N 2.58Å; I7-H10 WeakPolarHBondContact O-CA 3.29Å; I7-H10 WeakPolarHBondContact O-CB 3.41Å; I7-H10 PolarHBondContact O-N 3.15Å; I7-C11 PolarHBondContact O-N 2.96Å; I7-C11 PolarHBondContact O-SG 3.3Å; I7-E47 HydrophobicContact CG1-CB 4.27Å; I7-E47 HydrophobicContact CG2-CB 4.26Å; I7-V48 HydrophobicContact CG2-CG2 3.54Å; I7-R51 HydrophobicContact CD1-CB 3.62Å; I7-R51 HydrophobicContact CD1-CG 3.67Å; I7-L121 HydrophobicContact CB-CD1 4.07Å; I7-L121 HydrophobicContact CB-CD2 4.37Å; I7-L121 HydrophobicContact CD1-CD2 4.02Å; I7-L121 HydrophobicContact CG2-CD1 3.49Å; I7-L121 VanDerWaalsContact CG2-CD1 3.49Å; I7-L121 HydrophobicContact CG2-CD2 3.96Å; I7-L121 HydrophobicContact CG2-CG 4.39Å |
| 8 | I | 91.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.3 | -29.3 | 175.1 | -67.6 | 168.6 | 0 | 0 | 0 | 112.3 | V4 K6 C11 R12 I118 L121 Q122 | V4-I8 HydrophobicContact CG1-CD1 3.61Å; V4-I8 HydrophobicContact CG1-CG1 4.43Å; V4-I8 WeakPolarHBondContact O-CB 3.47Å; V4-I8 VanDerWaalsContact O-CG1 3.25Å; V4-I8 WeakPolarHBondContact O-CG1 3.46Å; V4-I8 PolarHBondContact O-N 3.27Å; K6-I8 VanDerWaalsContact C-N 3.32Å; K6-I8 PolarHBondContact O-N 3.1Å; I8-C11 PolarHBondContact O-N 3.34Å; I8-R12 HydrophobicContact CG2-CG 4.3Å; I8-R12 WeakPolarHBondContact O-CB 3.42Å; I8-R12 WeakPolarHBondContact O-CG 3.34Å; I8-R12 PolarHBondContact O-N 3.44Å; I8-I118 HydrophobicContact CG1-CG2 4.42Å; I8-I118 HydrophobicContact CG2-CG2 4.39Å; I8-L121 HydrophobicContact CG1-CB 4.31Å; I8-L121 HydrophobicContact CG1-CD1 4.12Å; I8-Q122 HydrophobicContact CD1-CG 3.55Å |
| 9 | R | 93.6 | Very high | 90.3 | Very high | 160 Ų | 160 | 60.9 Ų | 60.9 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -69.5 | -33.9 | 172.5 | -79.4 | 175 | -78.6 | 149.1 | -5.2 | 112.3 | R5 K6 I7 R13 | R5-R9 WeakPolarHBondContact O-CG 3.41Å; R5-R9 PolarHBondContact O-NE 2.96Å; R5-R9 PolarHBondContact O-NH2 2.99Å; K6-R9 VanDerWaalsContact CA-NH2 3.29Å; K6-R9 WeakPolarHBondContact O-CA 3.38Å; K6-R9 WeakPolarHBondContact O-CB 3.29Å; K6-R9 PolarHBondContact O-N 2.98Å; I7-R9 PolarHBondContact O-N 2.58Å; R9-R13 WeakPolarHBondContact O-CB 3.36Å; R9-R13 PolarHBondContact O-N 3.28Å |
| 10 | H | 94.9 | Very high | 90.3 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 170.5 | -70 | -98.8 | 0 | 0 | 0 | 110.7 | K6 I7 R12 R13 V14 M44 | K6-H10 PolarHBondContact O-CD2 2.74Å; K6-H10 PolarHBondContact O-N 3Å; I7-H10 WeakPolarHBondContact O-CA 3.29Å; I7-H10 WeakPolarHBondContact O-CB 3.41Å; I7-H10 PolarHBondContact O-N 3.15Å; H10-R12 PolarHBondContact O-N 3.15Å; H10-R13 WeakPolarHBondContact O-CB 3.37Å; H10-R13 PolarHBondContact O-N 3.38Å; H10-R13 VanDerWaalsContact O-N 3.15Å; H10-V14 PolarHBondContact O-N 3.36Å; H10-V14 VanDerWaalsContact O-N 3.08Å; H10-M44 HydrophobicContact CB-CB 4.24Å |
| 11 | C | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | I7 I8 R13 V14 L15 M44 I114 I118 | I7-C11 PolarHBondContact O-N 2.96Å; I7-C11 PolarHBondContact O-SG 3.3Å; I8-C11 PolarHBondContact O-N 3.34Å; C11-R13 VanDerWaalsContact C-N 3.29Å; C11-R13 PolarHBondContact O-N 2.73Å; C11-V14 PolarHBondContact O-N 3.42Å; C11-V14 VanDerWaalsContact O-N 3.14Å; C11-L15 PolarHBondContact O-N 3.16Å; C11-M44 HydrophobicContact CB-CG 4.47Å; C11-M44 HydrophobicContact CB-SD 4.24Å; C11-I114 HydrophobicContact CB-CG2 3.92Å; C11-I118 HydrophobicContact CB-CD1 3.66Å; C11-I118 HydrophobicContact CB-CG1 3.5Å; C11-I118 VanDerWaalsContact CB-CG1 3.5Å |
| 12 | R | 90.1 | Very high | 90.7 | Very high | 134 Ų | 134 | 52.9 Ų | 52.9 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -31.3 | 175.9 | -71.5 | 178.3 | -178.6 | -177.9 | -0.1 | 113.1 | I8 H10 S16 I118 | I8-R12 HydrophobicContact CG2-CG 4.3Å; I8-R12 WeakPolarHBondContact O-CB 3.42Å; I8-R12 WeakPolarHBondContact O-CG 3.34Å; I8-R12 PolarHBondContact O-N 3.44Å; H10-R12 PolarHBondContact O-N 3.15Å; R12-S16 WeakPolarHBondContact O-CB 3.32Å; R12-S16 PolarHBondContact O-N 3.24Å; R12-I118 HydrophobicContact CG-CD1 4.32Å |
| 13 | R | 93.3 | Very high | 90.8 | Very high | 138 Ų | 138 | 55.1 Ų | 55.1 | 52% | 0.521 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 172.8 | -171.9 | -178.8 | -176.8 | -162.2 | -0.5 | 111.7 | R9 H10 C11 S16 V17 | R9-R13 WeakPolarHBondContact O-CB 3.36Å; R9-R13 PolarHBondContact O-N 3.28Å; H10-R13 WeakPolarHBondContact O-CB 3.37Å; H10-R13 PolarHBondContact O-N 3.38Å; H10-R13 VanDerWaalsContact O-N 3.15Å; C11-R13 VanDerWaalsContact C-N 3.29Å; C11-R13 PolarHBondContact O-N 2.73Å; R13-S16 PolarHBondContact O-N 3.32Å; R13-V17 WeakPolarHBondContact O-CG2 3.47Å; R13-V17 PolarHBondContact O-N 2.98Å |
| 14 | V | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 175 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | H10 C11 S16 V17 L18 L37 C40 M41 M44 I114 | H10-V14 PolarHBondContact O-N 3.36Å; H10-V14 VanDerWaalsContact O-N 3.08Å; C11-V14 PolarHBondContact O-N 3.42Å; C11-V14 VanDerWaalsContact O-N 3.14Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.04Å; V14-V17 PolarHBondContact O-N 3.04Å; V14-V17 VanDerWaalsContact O-N 3.12Å; V14-L18 HydrophobicContact CG1-CD1 4.07Å; V14-L18 HydrophobicContact CG1-CG 4.36Å; V14-L18 WeakPolarHBondContact O-CG 3.48Å; V14-L18 PolarHBondContact O-N 3.4Å; V14-L37 HydrophobicContact CG1-CD1 4.03Å; V14-C40 HydrophobicContact CG2-CB 4.09Å; V14-C40 WeakPolarHBondContact CG2-O 3.37Å; V14-M41 HydrophobicContact CG1-CE 3.91Å; V14-M41 HydrophobicContact CG2-CB 4.43Å; V14-M44 HydrophobicContact CB-SD 3.97Å; V14-M44 HydrophobicContact CG1-SD 4.41Å; V14-M44 HydrophobicContact CG2-CB 3.89Å; V14-M44 HydrophobicContact CG2-CG 4.35Å; V14-M44 HydrophobicContact CG2-SD 3.72Å; V14-I114 HydrophobicContact CB-CD1 4.29Å; V14-I114 HydrophobicContact CG1-CD1 3.6Å |
| 15 | L | 89.9 | Confident | 90.7 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.5 | -43.8 | 174.1 | -70.7 | 169.7 | 0 | 0 | 0 | 112.4 | C11 V17 L18 A19 I114 I118 | C11-L15 PolarHBondContact O-N 3.16Å; L15-V17 PolarHBondContact O-N 2.91Å; L15-L18 PolarHBondContact O-N 3.07Å; L15-A19 PolarHBondContact O-N 2.85Å; L15-I114 HydrophobicContact CD1-CG2 4.02Å; L15-I114 HydrophobicContact CD2-CB 4.06Å; L15-I114 HydrophobicContact CD2-CD1 4.45Å; L15-I114 HydrophobicContact CD2-CG2 4.06Å; L15-I114 HydrophobicContact CG-CB 4.32Å; L15-I114 HydrophobicContact CG-CG2 3.76Å; L15-I118 HydrophobicContact CD1-CD1 3.88Å |
| 16 | S | 88.7 | Confident | 90.8 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 56% | 0.559 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.3 | -38.8 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | R12 R13 V14 | R12-S16 WeakPolarHBondContact O-CB 3.32Å; R12-S16 PolarHBondContact O-N 3.24Å; R13-S16 PolarHBondContact O-N 3.32Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.04Å |
| 17 | V | 92.3 | Very high | 90.6 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | R13 V14 L15 A19 T20 F33 R36 L37 | R13-V17 WeakPolarHBondContact O-CG2 3.47Å; R13-V17 PolarHBondContact O-N 2.98Å; V14-V17 PolarHBondContact O-N 3.04Å; V14-V17 VanDerWaalsContact O-N 3.12Å; L15-V17 PolarHBondContact O-N 2.91Å; V17-A19 VanDerWaalsContact C-N 3.29Å; V17-A19 PolarHBondContact O-N 3.27Å; V17-T20 WeakPolarHBondContact O-CB 3.46Å; V17-T20 PolarHBondContact O-N 3.04Å; V17-T20 PolarHBondContact O-OG1 3.26Å; V17-F33 HydrophobicContact CG1-CE2 4.25Å; V17-F33 WeakPolarHBondContact O-CE2 3.45Å; V17-R36 HydrophobicContact CG1-CB 4.23Å; V17-L37 HydrophobicContact CB-CD1 4.3Å; V17-L37 HydrophobicContact CG1-CB 4.02Å; V17-L37 HydrophobicContact CG1-CD1 3.91Å |
| 18 | L | 92.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -38.3 | 177.5 | -70.7 | 170.2 | 0 | 0 | 0 | 112.2 | V14 L15 T20 A21 F33 L37 L78 L107 M110 I114 | V14-L18 HydrophobicContact CG1-CD1 4.07Å; V14-L18 HydrophobicContact CG1-CG 4.36Å; V14-L18 WeakPolarHBondContact O-CG 3.48Å; V14-L18 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.07Å; L18-T20 PolarHBondContact O-N 2.75Å; L18-A21 WeakPolarHBondContact O-CB 3.35Å; L18-A21 PolarHBondContact O-N 3Å; L18-F33 HydrophobicContact CD2-CZ 4.48Å; L18-L37 HydrophobicContact CD2-CD1 3.83Å; L18-L37 HydrophobicContact CD2-CD2 4.04Å; L18-L37 HydrophobicContact CG-CD1 4.05Å; L18-L78 HydrophobicContact CD2-CD2 3.85Å; L18-L107 HydrophobicContact CD2-CD2 4.15Å; L18-M110 HydrophobicContact CD1-CB 4.48Å; L18-M110 HydrophobicContact CD1-CG 3.62Å; L18-M110 HydrophobicContact CD2-CG 4.2Å; L18-I114 HydrophobicContact CD1-CD1 3.66Å |
| 19 | A | 86 | Confident | 90.6 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -22.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L15 V17 A21 A165 | L15-A19 PolarHBondContact O-N 2.85Å; V17-A19 VanDerWaalsContact C-N 3.29Å; V17-A19 PolarHBondContact O-N 3.27Å; A19-A21 VanDerWaalsContact C-N 3.25Å; A19-A21 PolarHBondContact O-N 3.38Å; A19-A165 WeakPolarHBondContact O-CB 3.45Å |
| 20 | T | 89.5 | Confident | 90.6 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -76.6 | -7.2 | 173.3 | 71.5 | 0 | 0 | 0 | 0 | 114 | V17 L18 E22 H23 | V17-T20 WeakPolarHBondContact O-CB 3.46Å; V17-T20 PolarHBondContact O-N 3.04Å; V17-T20 PolarHBondContact O-OG1 3.26Å; L18-T20 PolarHBondContact O-N 2.75Å; T20-E22 PolarHBondContact O-N 3.02Å; T20-H23 PolarHBondContact O-N 3.32Å |
| 21 | A | 89.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -67.1 | -32.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L18 A19 H23 V24 F33 L82 L107 | L18-A21 WeakPolarHBondContact O-CB 3.35Å; L18-A21 PolarHBondContact O-N 3Å; A19-A21 VanDerWaalsContact C-N 3.25Å; A19-A21 PolarHBondContact O-N 3.38Å; A21-H23 PolarHBondContact O-N 3.08Å; A21-V24 WeakPolarHBondContact O-CB 3.17Å; A21-V24 PolarHBondContact O-N 3.23Å; A21-V24 VanDerWaalsContact O-N 3.08Å; A21-F33 HydrophobicContact CB-CD2 4.5Å; A21-F33 HydrophobicContact CB-CE2 3.63Å; A21-F33 HydrophobicContact CB-CZ 3.71Å; A21-L82 HydrophobicContact CB-CD2 4.27Å; A21-L107 HydrophobicContact CB-CD1 3.72Å; A21-L107 HydrophobicContact CB-CD2 3.47Å; A21-L107 VanDerWaalsContact CB-CD2 3.47Å; A21-L107 HydrophobicContact CB-CG 4.24Å |
| 22 | E | 83.3 | Confident | 90.6 | Very high | 49 Ų | 49 | 51 Ų | 51 | 23% | 0.229 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -61.9 | -28 | 177.4 | -177.5 | 165.8 | -149.7 | 0 | 0 | 112.2 | T20 V24 A165 M166 | T20-E22 PolarHBondContact O-N 3.02Å; E22-V24 VanDerWaalsContact C-N 3.3Å; E22-V24 PolarHBondContact O-N 3.35Å; E22-A165 HydrophobicContact CB-CB 4.04Å; E22-A165 WeakPolarHBondContact OE2-CA 3.5Å; E22-A165 VanDerWaalsContact OE2-CB 3.29Å; E22-A165 WeakPolarHBondContact OE2-CB 3.4Å; E22-M166 PolarHBondContact OE2-N 3.17Å |
| 23 | H | 85 | Confident | 90.9 | Very high | 115 Ų | 115 | 44.6 Ų | 44.6 | 53% | 0.532 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -83 | -0.1 | 178.6 | -60.6 | 90.1 | 0 | 0 | 0 | 113.6 | T20 A21 S25 | T20-H23 PolarHBondContact O-N 3.32Å; A21-H23 PolarHBondContact O-N 3.08Å; H23-S25 PolarHBondContact O-N 2.97Å |
| 24 | V | 89.6 | Confident | 90.9 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | trans | -84.3 | 93.9 | -177.7 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | A21 E22 L30 F33 V86 | A21-V24 WeakPolarHBondContact O-CB 3.17Å; A21-V24 PolarHBondContact O-N 3.23Å; A21-V24 VanDerWaalsContact O-N 3.08Å; E22-V24 VanDerWaalsContact C-N 3.3Å; E22-V24 PolarHBondContact O-N 3.35Å; V24-L30 HydrophobicContact CG1-CB 3.68Å; V24-L30 HydrophobicContact CG1-CD1 4.17Å; V24-F33 HydrophobicContact CG2-CB 3.95Å; V24-F33 HydrophobicContact CG2-CD2 3.96Å; V24-F33 HydrophobicContact CG2-CG 4.04Å; V24-V86 HydrophobicContact CG1-CG2 4.11Å; V24-V86 VanDerWaalsContact O-CG2 3.3Å; V24-V86 WeakPolarHBondContact O-CG2 3.46Å | ||
| 25 | S | 87.8 | Confident | 91 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 57% | 0.573 | 27% | 0.272 | S | S | * | . | trans | -104.4 | 1.8 | -175.3 | 58.4 | 0 | 0 | 0 | 0 | 115.5 | H23 | H23-S25 PolarHBondContact O-N 2.97Š| ||
| 26 | S | 92.5 | Very high | 91.2 | Very high | 39 Ų | 39 | 51 Ų | 51 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -147.1 | 154.3 | -178.9 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | T28 G29 L30 V86 | S26-T28 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 3.33Å; S26-G29 PolarHBondContact O-N 2.88Å; S26-G29 VanDerWaalsContact O-N 3.1Å; S26-G29 PolarHBondContact OG-N 3.05Å; S26-L30 PolarHBondContact O-N 3.33Å; S26-V86 VanDerWaalsContact C-CG1 3.4Å |
| 27 | L | 90.1 | Very high | 91.5 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 42% | 0.419 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.4 | -35.2 | -179.5 | -72.4 | 167.9 | 0 | 0 | 0 | 113.1 | L30 A31 K83 V86 | L27-L30 PolarHBondContact O-N 3.42Å; L27-A31 PolarHBondContact O-N 2.68Å; L27-K83 HydrophobicContact CD2-CG 4.39Å; L27-V86 HydrophobicContact CD2-CG1 4.1Å; L27-V86 HydrophobicContact CG-CG1 4.02Å |
| 28 | T | 92.9 | Very high | 91.6 | Very high | 102 Ų | 102 | 49.7 Ų | 49.7 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.6 | -45.5 | 173.9 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | S26 L30 A31 D32 | S26-T28 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 3.33Å; T28-L30 PolarHBondContact O-N 3.25Å; T28-A31 WeakPolarHBondContact O-CB 3.48Å; T28-A31 PolarHBondContact O-N 3.12Å; T28-A31 VanDerWaalsContact O-N 3.16Å; T28-D32 PolarHBondContact O-N 3.04Å |
| 29 | G | 93.4 | Very high | 91.7 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S26 D32 F33 | S26-G29 PolarHBondContact O-N 2.88Å; S26-G29 VanDerWaalsContact O-N 3.1Å; S26-G29 PolarHBondContact OG-N 3.05Å; G29-D32 PolarHBondContact O-N 2.89Å; G29-F33 WeakPolarHBondContact O-CB 3.27Å; G29-F33 PolarHBondContact O-N 2.8Å |
| 30 | L | 93.8 | Very high | 92 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68 | -43.8 | 173.9 | 179.5 | 58 | 0 | 0 | 0 | 112.2 | V24 S26 L27 T28 D32 F33 V34 L82 K83 | V24-L30 HydrophobicContact CG1-CB 3.68Å; V24-L30 HydrophobicContact CG1-CD1 4.17Å; S26-L30 PolarHBondContact O-N 3.33Å; L27-L30 PolarHBondContact O-N 3.42Å; T28-L30 PolarHBondContact O-N 3.25Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.16Å; L30-F33 HydrophobicContact CD1-CD1 4.14Å; L30-F33 WeakPolarHBondContact O-CB 3.32Å; L30-F33 PolarHBondContact O-N 2.89Å; L30-V34 HydrophobicContact CD1-CG2 4.21Å; L30-V34 WeakPolarHBondContact O-CG2 3.39Å; L30-V34 PolarHBondContact O-N 2.75Å; L30-L82 HydrophobicContact CD1-CB 3.71Å; L30-L82 HydrophobicContact CD1-CD1 4.15Å; L30-L82 HydrophobicContact CD1-CG 4.44Å; L30-L82 HydrophobicContact CD2-CB 4.3Å; L30-K83 HydrophobicContact CD2-CB 3.77Å; L30-K83 HydrophobicContact CD2-CG 4.38Å |
| 31 | A | 94 | Very high | 92.3 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L27 T28 K35 | L27-A31 PolarHBondContact O-N 2.68Å; T28-A31 WeakPolarHBondContact O-CB 3.48Å; T28-A31 PolarHBondContact O-N 3.12Å; T28-A31 VanDerWaalsContact O-N 3.16Å; A31-K35 VanDerWaalsContact O-CG 3.27Å; A31-K35 WeakPolarHBondContact O-CG 3.3Å; A31-K35 PolarHBondContact O-N 3.39Å; A31-K35 VanDerWaalsContact O-N 3.07Å |
| 32 | D | 94.4 | Very high | 92.6 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -75.9 | -29 | 177 | -68.4 | -25.4 | 0 | 0 | 0 | 113.4 | T28 G29 L30 K35 R36 | T28-D32 PolarHBondContact O-N 3.04Å; G29-D32 PolarHBondContact O-N 2.89Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.16Å; D32-K35 WeakPolarHBondContact OD1-CE 3.48Å; D32-K35 IonicContact OD1-NZ 2.67Å; D32-K35 PolarHBondContact OD1-NZ 2.92Å; D32-R36 VanDerWaalsContact C-NH1 3.32Å; D32-R36 WeakPolarHBondContact O-CG 3.43Å; D32-R36 PolarHBondContact O-N 2.92Å; D32-R36 PolarHBondContact O-NH1 2.68Å; D32-R36 VanDerWaalsContact O-NH1 3.08Å |
| 33 | F | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 168.3 | 170.7 | -90.8 | 0 | 0 | 0 | 111.2 | V17 L18 A21 V24 G29 L30 K35 R36 L37 L82 | V17-F33 HydrophobicContact CG1-CE2 4.25Å; V17-F33 WeakPolarHBondContact O-CE2 3.45Å; L18-F33 HydrophobicContact CD2-CZ 4.48Å; A21-F33 HydrophobicContact CB-CD2 4.5Å; A21-F33 HydrophobicContact CB-CE2 3.63Å; A21-F33 HydrophobicContact CB-CZ 3.71Å; V24-F33 HydrophobicContact CG2-CB 3.95Å; V24-F33 HydrophobicContact CG2-CD2 3.96Å; V24-F33 HydrophobicContact CG2-CG 4.04Å; G29-F33 WeakPolarHBondContact O-CB 3.27Å; G29-F33 PolarHBondContact O-N 2.8Å; L30-F33 HydrophobicContact CD1-CD1 4.14Å; L30-F33 WeakPolarHBondContact O-CB 3.32Å; L30-F33 PolarHBondContact O-N 2.89Å; F33-K35 PolarHBondContact O-N 2.84Å; F33-R36 PolarHBondContact O-N 3.03Å; F33-L37 HydrophobicContact CE1-CB 4.44Å; F33-L37 HydrophobicContact CE1-CD2 3.72Å; F33-L37 HydrophobicContact CZ-CD2 3.95Å; F33-L37 WeakPolarHBondContact O-CB 3.28Å; F33-L37 PolarHBondContact O-N 3.35Å; F33-L82 HydrophobicContact CD1-CD1 4.21Å; F33-L82 HydrophobicContact CE1-CD1 3.6Å; F33-L82 HydrophobicContact CZ-CD1 4.22Å |
| 34 | V | 95.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 49 Ų | 49 | 22% | 0.218 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 178 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | L30 R36 L37 T38 I79 | L30-V34 HydrophobicContact CD1-CG2 4.21Å; L30-V34 WeakPolarHBondContact O-CG2 3.39Å; L30-V34 PolarHBondContact O-N 2.75Å; V34-R36 PolarHBondContact O-N 3.4Å; V34-L37 PolarHBondContact O-N 2.89Å; V34-L37 VanDerWaalsContact O-N 3.17Å; V34-T38 PolarHBondContact O-N 3.2Å; V34-T38 PolarHBondContact O-OG1 2.98Å; V34-I79 HydrophobicContact CG1-CD1 4.24Å; V34-I79 HydrophobicContact CG2-CD1 4.21Å; V34-I79 HydrophobicContact CG2-CG1 4.1Å; V34-I79 HydrophobicContact CG2-CG2 4.21Å |
| 35 | K | 95.1 | Very high | 94.1 | Very high | 136 Ų | 136 | 49.8 Ų | 49.8 | 59% | 0.591 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.4 | -30.1 | 173.6 | -71.9 | 170.5 | -156.3 | 163.4 | 0 | 113.6 | A31 D32 F33 P39 | A31-K35 VanDerWaalsContact O-CG 3.27Å; A31-K35 WeakPolarHBondContact O-CG 3.3Å; A31-K35 PolarHBondContact O-N 3.39Å; A31-K35 VanDerWaalsContact O-N 3.07Å; D32-K35 WeakPolarHBondContact OD1-CE 3.48Å; D32-K35 IonicContact OD1-NZ 2.67Å; D32-K35 PolarHBondContact OD1-NZ 2.92Å; F33-K35 PolarHBondContact O-N 2.84Å; K35-P39 WeakPolarHBondContact O-CD 3.29Å; K35-P39 WeakPolarHBondContact O-CG 3.48Å |
| 36 | R | 94.8 | Very high | 94.5 | Very high | 112 Ų | 112 | 52 Ų | 52 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -82.3 | -40.8 | 174.4 | -67.7 | -172.7 | -52.4 | -90.1 | 10.2 | 112.3 | V17 D32 F33 V34 C40 | V17-R36 HydrophobicContact CG1-CB 4.23Å; D32-R36 VanDerWaalsContact C-NH1 3.32Å; D32-R36 WeakPolarHBondContact O-CG 3.43Å; D32-R36 PolarHBondContact O-N 2.92Å; D32-R36 PolarHBondContact O-NH1 2.68Å; D32-R36 VanDerWaalsContact O-NH1 3.08Å; F33-R36 PolarHBondContact O-N 3.03Å; V34-R36 PolarHBondContact O-N 3.4Å; R36-C40 PolarHBondContact O-SG 3.43Å |
| 37 | L | 94.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71 | -52 | -173.8 | -175.4 | 65.1 | 0 | 0 | 0 | 112.3 | V14 V17 L18 F33 V34 C40 M41 | V14-L37 HydrophobicContact CG1-CD1 4.03Å; V17-L37 HydrophobicContact CB-CD1 4.3Å; V17-L37 HydrophobicContact CG1-CB 4.02Å; V17-L37 HydrophobicContact CG1-CD1 3.91Å; L18-L37 HydrophobicContact CD2-CD1 3.83Å; L18-L37 HydrophobicContact CD2-CD2 4.04Å; L18-L37 HydrophobicContact CG-CD1 4.05Å; F33-L37 HydrophobicContact CE1-CB 4.44Å; F33-L37 HydrophobicContact CE1-CD2 3.72Å; F33-L37 HydrophobicContact CZ-CD2 3.95Å; F33-L37 WeakPolarHBondContact O-CB 3.28Å; F33-L37 PolarHBondContact O-N 3.35Å; V34-L37 PolarHBondContact O-N 2.89Å; V34-L37 VanDerWaalsContact O-N 3.17Å; L37-C40 PolarHBondContact O-N 3.17Å; L37-M41 HydrophobicContact CD1-CE 3.91Å; L37-M41 HydrophobicContact CD2-CE 4.26Å; L37-M41 HydrophobicContact CG-CE 4.07Å; L37-M41 WeakPolarHBondContact O-CB 3.49Å; L37-M41 PolarHBondContact O-N 3.44Å |
| 38 | T | 93.9 | Very high | 94.9 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | -171.1 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | V34 M41 A42 | V34-T38 PolarHBondContact O-N 3.2Å; V34-T38 PolarHBondContact O-OG1 2.98Å; T38-M41 PolarHBondContact O-N 2.73Å; T38-A42 WeakPolarHBondContact O-CB 3.47Å; T38-A42 PolarHBondContact O-N 3.22Å |
| 39 | P | 94.7 | Very high | 95.1 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 176.3 | -21.6 | 34.8 | 0 | 0 | 0 | 112.9 | K35 M41 A42 D43 | K35-P39 WeakPolarHBondContact O-CD 3.29Å; K35-P39 WeakPolarHBondContact O-CG 3.48Å; P39-M41 PolarHBondContact O-N 2.84Å; P39-A42 PolarHBondContact O-N 3.31Å; P39-D43 PolarHBondContact O-N 3.18Å |
| 40 | C | 93.7 | Very high | 95.1 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 179.8 | -62.4 | 0 | 0 | 0 | 0 | 112 | V14 R36 L37 M44 | V14-C40 HydrophobicContact CG2-CB 4.09Å; V14-C40 WeakPolarHBondContact CG2-O 3.37Å; R36-C40 PolarHBondContact O-SG 3.43Å; L37-C40 PolarHBondContact O-N 3.17Å; C40-M44 WeakPolarHBondContact O-CB 3.44Å; C40-M44 PolarHBondContact O-N 3.28Å; C40-M44 VanDerWaalsContact O-N 3.07Å |
| 41 | M | 94.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.9 | -36.2 | 177.7 | -170.4 | 178.1 | -79.6 | 0 | 0 | 112.4 | V14 L37 T38 P39 M44 I45 V71 T75 M110 | V14-M41 HydrophobicContact CG1-CE 3.91Å; V14-M41 HydrophobicContact CG2-CB 4.43Å; L37-M41 HydrophobicContact CD1-CE 3.91Å; L37-M41 HydrophobicContact CD2-CE 4.26Å; L37-M41 HydrophobicContact CG-CE 4.07Å; L37-M41 WeakPolarHBondContact O-CB 3.49Å; L37-M41 PolarHBondContact O-N 3.44Å; T38-M41 PolarHBondContact O-N 2.73Å; P39-M41 PolarHBondContact O-N 2.84Å; M41-M44 HydrophobicContact CG-CE 4.35Å; M41-M44 PolarHBondContact O-N 3.09Å; M41-I45 HydrophobicContact CG-CD1 4.08Å; M41-I45 WeakPolarHBondContact O-CB 3.01Å; M41-I45 VanDerWaalsContact O-CG1 3.27Å; M41-I45 WeakPolarHBondContact O-CG1 3.25Å; M41-I45 PolarHBondContact O-N 3.4Å; M41-V71 HydrophobicContact CE-CG1 4.1Å; M41-V71 HydrophobicContact CG-CG1 3.72Å; M41-V71 HydrophobicContact SD-CG1 3.61Å; M41-T75 HydrophobicContact SD-CG2 4.19Å; M41-T75 PolarHBondContact SD-OG1 3.21Å; M41-M110 HydrophobicContact CE-CE 3.96Å; M41-M110 HydrophobicContact CE-CG 4.48Å; M41-M110 HydrophobicContact CE-SD 3.85Å |
| 42 | A | 95.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T38 P39 I45 K46 | T38-A42 WeakPolarHBondContact O-CB 3.47Å; T38-A42 PolarHBondContact O-N 3.22Å; P39-A42 PolarHBondContact O-N 3.31Å; A42-I45 PolarHBondContact O-N 3.45Å; A42-K46 WeakPolarHBondContact O-CB 3.46Å; A42-K46 PolarHBondContact O-N 3.45Å |
| 43 | D | 95.6 | Very high | 94.6 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58 | -48.5 | 172.4 | -70.5 | -19.7 | 0 | 0 | 0 | 111 | P39 K46 E47 | P39-D43 PolarHBondContact O-N 3.18Å; D43-K46 PolarHBondContact O-N 2.94Å; D43-E47 VanDerWaalsContact O-CG 3.3Å; D43-E47 WeakPolarHBondContact O-CG 3.36Å; D43-E47 PolarHBondContact O-N 3.36Å |
| 44 | M | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 178.7 | -177.9 | -166.9 | 77.8 | 0 | 0 | 111.6 | H10 C11 V14 C40 M41 K46 E47 V48 V71 I114 | H10-M44 HydrophobicContact CB-CB 4.24Å; C11-M44 HydrophobicContact CB-CG 4.47Å; C11-M44 HydrophobicContact CB-SD 4.24Å; V14-M44 HydrophobicContact CB-SD 3.97Å; V14-M44 HydrophobicContact CG1-SD 4.41Å; V14-M44 HydrophobicContact CG2-CB 3.89Å; V14-M44 HydrophobicContact CG2-CG 4.35Å; V14-M44 HydrophobicContact CG2-SD 3.72Å; C40-M44 WeakPolarHBondContact O-CB 3.44Å; C40-M44 PolarHBondContact O-N 3.28Å; C40-M44 VanDerWaalsContact O-N 3.07Å; M41-M44 HydrophobicContact CG-CE 4.35Å; M41-M44 PolarHBondContact O-N 3.09Å; M44-K46 VanDerWaalsContact C-N 3.33Å; M44-K46 PolarHBondContact O-N 2.7Å; M44-E47 PolarHBondContact O-N 3.46Å; M44-V48 HydrophobicContact CG-CG2 4.47Å; M44-V48 WeakPolarHBondContact O-CG2 3.44Å; M44-V48 PolarHBondContact O-N 3.25Å; M44-V48 VanDerWaalsContact O-N 3.07Å; M44-V71 HydrophobicContact CE-CG1 3.91Å; M44-V71 HydrophobicContact CE-CG2 4.23Å; M44-I114 HydrophobicContact CE-CD1 4.37Å; M44-I114 HydrophobicContact CE-CG1 4.05Å; M44-I114 HydrophobicContact SD-CD1 4.42Å; M44-I114 HydrophobicContact SD-CG1 4.18Å; M44-I114 HydrophobicContact SD-CG2 4.01Å |
| 45 | I | 96.7 | Very high | 93.6 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.7 | -51 | 178.5 | -76.5 | 165.3 | 0 | 0 | 0 | 109.9 | M41 A42 E47 V48 D49 I68 V71 K72 | M41-I45 HydrophobicContact CG-CD1 4.08Å; M41-I45 WeakPolarHBondContact O-CB 3.01Å; M41-I45 VanDerWaalsContact O-CG1 3.27Å; M41-I45 WeakPolarHBondContact O-CG1 3.25Å; M41-I45 PolarHBondContact O-N 3.4Å; A42-I45 PolarHBondContact O-N 3.45Å; I45-E47 PolarHBondContact O-N 2.96Å; I45-V48 PolarHBondContact O-N 3.17Å; I45-D49 WeakPolarHBondContact O-CB 3.45Å; I45-D49 PolarHBondContact O-N 3.03Å; I45-I68 HydrophobicContact CG2-CG2 3.97Å; I45-V71 HydrophobicContact CD1-CG1 4.15Å; I45-V71 HydrophobicContact CG1-CG1 4.39Å; I45-K72 HydrophobicContact CD1-CG 3.95Å |
| 46 | K | 96.6 | Very high | 92.6 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | -177.7 | -174.9 | -168.6 | 174.9 | -164.4 | 0 | 112.8 | A42 D43 M44 V48 D49 N50 | A42-K46 WeakPolarHBondContact O-CB 3.46Å; A42-K46 PolarHBondContact O-N 3.45Å; D43-K46 PolarHBondContact O-N 2.94Å; M44-K46 VanDerWaalsContact C-N 3.33Å; M44-K46 PolarHBondContact O-N 2.7Å; K46-V48 VanDerWaalsContact C-N 3.29Å; K46-V48 PolarHBondContact O-N 2.62Å; K46-D49 PolarHBondContact O-N 2.83Å; K46-N50 WeakPolarHBondContact O-CB 3.38Å; K46-N50 PolarHBondContact O-N 3.46Å; K46-N50 PolarHBondContact O-OD1 3.48Å |
| 47 | E | 96.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71 | -24.9 | -177.7 | -65.9 | -80.3 | 123.3 | 0 | 0 | 112.5 | K6 I7 D43 M44 I45 R51 | K6-E47 WeakPolarHBondContact CE-OE2 3.36Å; K6-E47 IonicContact NZ-OE1 3.39Å; K6-E47 IonicContact NZ-OE2 2.65Å; K6-E47 PolarHBondContact NZ-OE2 3.26Å; I7-E47 HydrophobicContact CG1-CB 4.27Å; I7-E47 HydrophobicContact CG2-CB 4.26Å; D43-E47 VanDerWaalsContact O-CG 3.3Å; D43-E47 WeakPolarHBondContact O-CG 3.36Å; D43-E47 PolarHBondContact O-N 3.36Å; M44-E47 PolarHBondContact O-N 3.46Å; I45-E47 PolarHBondContact O-N 2.96Å; E47-R51 WeakPolarHBondContact O-CB 3.47Å |
| 48 | V | 95.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -80.2 | -37.5 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | I7 M44 I45 K46 R51 Q52 L64 I68 I117 L121 | I7-V48 HydrophobicContact CG2-CG2 3.54Å; M44-V48 HydrophobicContact CG-CG2 4.47Å; M44-V48 WeakPolarHBondContact O-CG2 3.44Å; M44-V48 PolarHBondContact O-N 3.25Å; M44-V48 VanDerWaalsContact O-N 3.07Å; I45-V48 PolarHBondContact O-N 3.17Å; K46-V48 VanDerWaalsContact C-N 3.29Å; K46-V48 PolarHBondContact O-N 2.62Å; V48-R51 PolarHBondContact O-N 3.3Å; V48-R51 VanDerWaalsContact O-N 3.13Å; V48-Q52 PolarHBondContact O-N 3.44Å; V48-L64 HydrophobicContact CG1-CB 4.02Å; V48-L64 HydrophobicContact CG1-CD1 4.29Å; V48-L64 HydrophobicContact CG1-CD2 4.05Å; V48-L64 HydrophobicContact CG1-CG 4.35Å; V48-I68 HydrophobicContact CB-CD1 4.01Å; V48-I68 HydrophobicContact CB-CG1 4.26Å; V48-I68 HydrophobicContact CG1-CD1 3.74Å; V48-I68 HydrophobicContact CG1-CG1 3.99Å; V48-I117 HydrophobicContact CG1-CG2 3.95Å; V48-I117 HydrophobicContact CG2-CG2 3.71Å; V48-L121 HydrophobicContact CG2-CD1 4.28Å |
| 49 | D | 95.7 | Very high | 89.1 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -49.8 | 179.8 | -144.3 | -7.9 | 0 | 0 | 0 | 110.6 | I45 K46 R51 Q52 E53 I68 | I45-D49 WeakPolarHBondContact O-CB 3.45Å; I45-D49 PolarHBondContact O-N 3.03Å; K46-D49 PolarHBondContact O-N 2.83Å; D49-R51 PolarHBondContact O-N 3.39Å; D49-R51 VanDerWaalsContact O-N 3.16Å; D49-Q52 WeakPolarHBondContact O-CG 3.45Å; D49-Q52 PolarHBondContact O-N 2.84Å; D49-Q52 PolarHBondContact O-NE2 3.33Å; D49-Q52 PolarHBondContact OD1-NE2 3.18Å; D49-E53 PolarHBondContact O-N 3Å; D49-I68 HydrophobicContact CB-CD1 3.96Å |
| 50 | N | 95.2 | Very high | 88.3 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -52 | -39 | 170.4 | -66.9 | -8.9 | 0 | 0 | 0 | 111.8 | K46 | K46-N50 WeakPolarHBondContact O-CB 3.38Å; K46-N50 PolarHBondContact O-N 3.46Å; K46-N50 PolarHBondContact O-OD1 3.48Å |
| 51 | R | 92.4 | Very high | 87.8 | Confident | 65 Ų | 65 | 57.4 Ų | 57.4 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -77.5 | -30.5 | -175.8 | -179.5 | 57.6 | -168.8 | 159.1 | 11.8 | 112.9 | I7 E47 V48 D49 E53 E54 L121 | I7-R51 HydrophobicContact CD1-CB 3.62Å; I7-R51 HydrophobicContact CD1-CG 3.67Å; E47-R51 WeakPolarHBondContact O-CB 3.47Å; V48-R51 PolarHBondContact O-N 3.3Å; V48-R51 VanDerWaalsContact O-N 3.13Å; D49-R51 PolarHBondContact O-N 3.39Å; D49-R51 VanDerWaalsContact O-N 3.16Å; R51-E53 VanDerWaalsContact C-N 3.31Å; R51-E54 WeakPolarHBondContact CD-OE2 3.45Å; R51-E54 IonicContact CZ-OE2 2.95Å; R51-E54 IonicContact NE-OE2 3.88Å; R51-E54 IonicContact NH1-OE2 3.26Å; R51-E54 PolarHBondContact NH1-OE2 3.22Å; R51-E54 PolarHBondContact O-N 3.14Å; R51-L121 HydrophobicContact CB-CD2 4.39Å; R51-L121 HydrophobicContact CG-CD2 3.86Å |
| 52 | Q | 90.5 | Very high | 86.9 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71 | -29.1 | 177.4 | 68.5 | 69.7 | 24 | 0 | 0 | 112.1 | V48 D49 E54 L55 S61 L64 | V48-Q52 PolarHBondContact O-N 3.44Å; D49-Q52 WeakPolarHBondContact O-CG 3.45Å; D49-Q52 PolarHBondContact O-N 2.84Å; D49-Q52 PolarHBondContact O-NE2 3.33Å; D49-Q52 PolarHBondContact OD1-NE2 3.18Å; Q52-E54 VanDerWaalsContact C-N 3.3Å; Q52-E54 PolarHBondContact O-N 3.48Å; Q52-L55 PolarHBondContact O-N 3.07Å; Q52-S61 PolarHBondContact OE1-OG 2.85Å; Q52-L64 HydrophobicContact CB-CB 3.91Å; Q52-L64 HydrophobicContact CB-CD1 4.15Å |
| 53 | E | 88.9 | Confident | 86.2 | Confident | 155 Ų | 155 | 58.3 Ų | 58.3 | 72% | 0.724 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.4 | -26 | 170.4 | -61.5 | -171.7 | 152.4 | 0 | 0 | 113.3 | D49 R51 | D49-E53 PolarHBondContact O-N 3Å; R51-E53 VanDerWaalsContact C-N 3.31Å |
| 54 | E | 87 | Confident | 86 | Confident | 122 Ų | 122 | 54.9 Ų | 54.9 | 57% | 0.57 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6.8 | 176.5 | -66.6 | 178.7 | 165.1 | 0 | 0 | 114.1 | R51 Q52 | R51-E54 WeakPolarHBondContact CD-OE2 3.45Å; R51-E54 IonicContact CZ-OE2 2.95Å; R51-E54 IonicContact NE-OE2 3.88Å; R51-E54 IonicContact NH1-OE2 3.26Å; R51-E54 PolarHBondContact NH1-OE2 3.22Å; R51-E54 PolarHBondContact O-N 3.14Å; Q52-E54 VanDerWaalsContact C-N 3.3Å; Q52-E54 PolarHBondContact O-N 3.48Å |
| 55 | L | 82.6 | Confident | 85.7 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | trans | -87 | 122.4 | -174.8 | -73.4 | 174.8 | 0 | 0 | 0 | 111.9 | Q52 I57 H60 L64 | Q52-L55 PolarHBondContact O-N 3.07Å; L55-I57 PolarHBondContact O-N 3.16Å; L55-H60 HydrophobicContact CD1-CB 3.94Å; L55-L64 HydrophobicContact CD1-CD1 3.71Å | ||
| 56 | T | 73.7 | Confident | 85.2 | Confident | 140 Ų | 140 | 59.8 Ų | 59.8 | 86% | 0.859 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -70.3 | -20.9 | 170.9 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 57 | I | 71.2 | Confident | 84.8 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | trans | -96.1 | 105.2 | -177.6 | -58.6 | 171.2 | 0 | 0 | 0 | 108.8 | L55 S59 H60 S61 E130 | L55-I57 PolarHBondContact O-N 3.16Å; I57-S59 VanDerWaalsContact C-N 3.32Å; I57-S59 VanDerWaalsContact CG2-OG 3.25Å; I57-S59 WeakPolarHBondContact CG2-OG 3.09Å; I57-S59 PolarHBondContact O-N 2.85Å; I57-H60 HydrophobicContact CB-CB 4.36Å; I57-H60 HydrophobicContact CG2-CB 4.26Å; I57-H60 WeakPolarHBondContact CG2-ND1 3.39Å; I57-H60 PolarHBondContact O-N 3.01Å; I57-H60 VanDerWaalsContact O-N 3.13Å; I57-S61 PolarHBondContact O-N 3.12Å; I57-S61 VanDerWaalsContact O-N 3.12Å; I57-E130 WeakPolarHBondContact CG2-OE2 3.25Å | ||
| 58 | Q | 70 | Confident | 84.8 | Confident | 118 Ų | 118 | 52 Ų | 52 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.5 | -31.5 | -169.4 | -163 | 64.7 | 55.3 | 0 | 0 | 113.6 | H60 S61 A62 | Q58-H60 VanDerWaalsContact C-N 3.35Å; Q58-S61 PolarHBondContact NE2-OG 3.11Å; Q58-S61 PolarHBondContact O-N 3.1Å; Q58-A62 WeakPolarHBondContact O-CB 3.33Å; Q58-A62 PolarHBondContact O-N 3.3Å |
| 59 | S | 69 | Low | 84.6 | Confident | 60 Ų | 60 | 57 Ų | 57 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | I57 A62 L63 | I57-S59 VanDerWaalsContact C-N 3.32Å; I57-S59 VanDerWaalsContact CG2-OG 3.25Å; I57-S59 WeakPolarHBondContact CG2-OG 3.09Å; I57-S59 PolarHBondContact O-N 2.85Å; S59-A62 PolarHBondContact O-N 3.24Å; S59-L63 WeakPolarHBondContact O-CB 3.37Å; S59-L63 PolarHBondContact O-N 3.32Å |
| 60 | H | 76.9 | Confident | 84.3 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.046 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.4 | -38.9 | 177.5 | -58.9 | 160.4 | 0 | 0 | 0 | 111.7 | L55 I57 Q58 L63 L64 L123 E130 | L55-H60 HydrophobicContact CD1-CB 3.94Å; I57-H60 HydrophobicContact CB-CB 4.36Å; I57-H60 HydrophobicContact CG2-CB 4.26Å; I57-H60 WeakPolarHBondContact CG2-ND1 3.39Å; I57-H60 PolarHBondContact O-N 3.01Å; I57-H60 VanDerWaalsContact O-N 3.13Å; Q58-H60 VanDerWaalsContact C-N 3.35Å; H60-L63 PolarHBondContact O-N 2.67Å; H60-L64 WeakPolarHBondContact O-CG 3.47Å; H60-L64 PolarHBondContact O-N 3.11Å; H60-L64 VanDerWaalsContact O-N 3.14Å; H60-L123 WeakPolarHBondContact CD2-CD1 3.35Å; H60-L123 WeakPolarHBondContact NE2-CD1 3.49Å; H60-E130 IonicContact CE1-OE1 3.54Å; H60-E130 PolarHBondContact CE1-OE1 3.49Å; H60-E130 IonicContact NE2-OE1 3.18Å |
| 61 | S | 83 | Confident | 84.2 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -50.9 | 169.6 | 159.5 | 0 | 0 | 0 | 0 | 111.5 | Q52 I57 Q58 L63 L64 L65 | Q52-S61 PolarHBondContact OE1-OG 2.85Å; I57-S61 PolarHBondContact O-N 3.12Å; I57-S61 VanDerWaalsContact O-N 3.12Å; Q58-S61 PolarHBondContact NE2-OG 3.11Å; Q58-S61 PolarHBondContact O-N 3.1Å; S61-L63 VanDerWaalsContact C-N 3.35Å; S61-L63 PolarHBondContact O-N 2.95Å; S61-L64 PolarHBondContact O-N 3.21Å; S61-L65 PolarHBondContact O-N 3.38Å |
| 62 | A | 76.4 | Confident | 84.3 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q58 S59 L65 R66 | Q58-A62 WeakPolarHBondContact O-CB 3.33Å; Q58-A62 PolarHBondContact O-N 3.3Å; S59-A62 PolarHBondContact O-N 3.24Å; A62-L65 PolarHBondContact O-N 2.89Å; A62-R66 WeakPolarHBondContact O-CB 3.46Å; A62-R66 PolarHBondContact O-N 3.43Å |
| 63 | L | 80.9 | Confident | 84.4 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 13% | 0.131 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 174.9 | 180 | 160.5 | 0 | 0 | 0 | 111.8 | S59 H60 S61 R66 G67 | S59-L63 WeakPolarHBondContact O-CB 3.37Å; S59-L63 PolarHBondContact O-N 3.32Å; H60-L63 PolarHBondContact O-N 2.67Å; S61-L63 VanDerWaalsContact C-N 3.35Å; S61-L63 PolarHBondContact O-N 2.95Å; L63-R66 PolarHBondContact O-N 2.93Å; L63-G67 PolarHBondContact O-N 2.84Å |
| 64 | L | 90.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 177.9 | -69.6 | -176.8 | 0 | 0 | 0 | 111.8 | V48 Q52 L55 H60 S61 G67 I68 I117 L121 | V48-L64 HydrophobicContact CG1-CB 4.02Å; V48-L64 HydrophobicContact CG1-CD1 4.29Å; V48-L64 HydrophobicContact CG1-CD2 4.05Å; V48-L64 HydrophobicContact CG1-CG 4.35Å; Q52-L64 HydrophobicContact CB-CB 3.91Å; Q52-L64 HydrophobicContact CB-CD1 4.15Å; L55-L64 HydrophobicContact CD1-CD1 3.71Å; H60-L64 WeakPolarHBondContact O-CG 3.47Å; H60-L64 PolarHBondContact O-N 3.11Å; H60-L64 VanDerWaalsContact O-N 3.14Å; S61-L64 PolarHBondContact O-N 3.21Å; L64-G67 PolarHBondContact O-N 3.15Å; L64-I68 WeakPolarHBondContact O-CG1 3.18Å; L64-I68 PolarHBondContact O-N 2.92Å; L64-I117 HydrophobicContact CD2-CG2 4.25Å; L64-I117 WeakPolarHBondContact CD2-O 3.41Å; L64-L121 HydrophobicContact CD1-CD2 3.97Å; L64-L121 HydrophobicContact CD1-CG 4.49Å; L64-L121 HydrophobicContact CD2-CD2 4.37Å; L64-L121 HydrophobicContact CD2-CG 4.05Å |
| 65 | L | 90.4 | Very high | 84.9 | Confident | 64 Ų | 64 | 42.9 Ų | 42.9 | 34% | 0.335 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.4 | -172.8 | 64 | 0 | 0 | 0 | 111.5 | S61 A62 G67 I68 E69 | S61-L65 PolarHBondContact O-N 3.38Å; A62-L65 PolarHBondContact O-N 2.89Å; L65-G67 VanDerWaalsContact C-N 3.31Å; L65-G67 PolarHBondContact O-N 3.4Å; L65-I68 WeakPolarHBondContact O-CB 3.2Å; L65-I68 PolarHBondContact O-N 3.29Å; L65-E69 WeakPolarHBondContact O-CG 3.45Å; L65-E69 PolarHBondContact O-N 3.06Å |
| 66 | R | 87.3 | Confident | 85.5 | Confident | 69 Ų | 69 | 44.6 Ų | 44.6 | 26% | 0.26 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.9 | -46.1 | 173.4 | -173.7 | -161 | 69.9 | 72.9 | 14 | 111.4 | A62 L63 E69 Q70 E113 | A62-R66 WeakPolarHBondContact O-CB 3.46Å; A62-R66 PolarHBondContact O-N 3.43Å; L63-R66 PolarHBondContact O-N 2.93Å; R66-E69 PolarHBondContact O-N 2.82Å; R66-Q70 WeakPolarHBondContact O-CG 2.96Å; R66-Q70 PolarHBondContact O-N 3.43Å; R66-E113 IonicContact CZ-OE1 2.69Å; R66-E113 IonicContact CZ-OE2 3.47Å; R66-E113 VanDerWaalsContact CZ-OE2 3.31Å; R66-E113 VanDerWaalsContact NH1-CD 3.34Å; R66-E113 IonicContact NH1-OE1 2.84Å; R66-E113 PolarHBondContact NH1-OE1 2.74Å; R66-E113 IonicContact NH1-OE2 3.77Å; R66-E113 PolarHBondContact NH1-OE2 3Å; R66-E113 VanDerWaalsContact NH1-OE2 3.12Å; R66-E113 IonicContact NH2-OE1 2.68Å; R66-E113 IonicContact NH2-OE2 2.78Å; R66-E113 PolarHBondContact NH2-OE2 3.5Å |
| 67 | G | 88.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L63 L64 L65 E69 Q70 V71 | L63-G67 PolarHBondContact O-N 2.84Å; L64-G67 PolarHBondContact O-N 3.15Å; L65-G67 VanDerWaalsContact C-N 3.31Å; L65-G67 PolarHBondContact O-N 3.4Å; G67-E69 VanDerWaalsContact C-N 3.32Å; G67-E69 PolarHBondContact O-N 3.29Å; G67-Q70 PolarHBondContact O-N 3.3Å; G67-V71 WeakPolarHBondContact O-CG2 3.42Å; G67-V71 PolarHBondContact O-N 3.38Å |
| 68 | I | 94.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 174.2 | -73.5 | 163.7 | 0 | 0 | 0 | 111 | I45 V48 D49 L64 L65 V71 K72 | I45-I68 HydrophobicContact CG2-CG2 3.97Å; V48-I68 HydrophobicContact CB-CD1 4.01Å; V48-I68 HydrophobicContact CB-CG1 4.26Å; V48-I68 HydrophobicContact CG1-CD1 3.74Å; V48-I68 HydrophobicContact CG1-CG1 3.99Å; D49-I68 HydrophobicContact CB-CD1 3.96Å; L64-I68 WeakPolarHBondContact O-CG1 3.18Å; L64-I68 PolarHBondContact O-N 2.92Å; L65-I68 WeakPolarHBondContact O-CB 3.2Å; L65-I68 PolarHBondContact O-N 3.29Å; I68-V71 PolarHBondContact O-N 3.39Å; I68-K72 HydrophobicContact CG2-CD 3.81Å; I68-K72 HydrophobicContact CG2-CG 4.48Å; I68-K72 WeakPolarHBondContact O-CB 3.49Å; I68-K72 VanDerWaalsContact O-CG 3.26Å; I68-K72 WeakPolarHBondContact O-CG 3.49Å; I68-K72 PolarHBondContact O-N 3.23Å |
| 69 | E | 91.8 | Very high | 88.9 | Confident | 105 Ų | 105 | 33.6 Ų | 33.6 | 49% | 0.491 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64 | -42.2 | 178 | -71.3 | -179.1 | 165.6 | 0 | 0 | 112.5 | L65 R66 G67 K72 R73 | L65-E69 WeakPolarHBondContact O-CG 3.45Å; L65-E69 PolarHBondContact O-N 3.06Å; R66-E69 PolarHBondContact O-N 2.82Å; G67-E69 VanDerWaalsContact C-N 3.32Å; G67-E69 PolarHBondContact O-N 3.29Å; E69-K72 PolarHBondContact O-N 3.41Å; E69-R73 WeakPolarHBondContact O-CB 3.23Å; E69-R73 PolarHBondContact O-N 3.43Å |
| 70 | Q | 89.9 | Confident | 90.2 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.1 | -62.8 | -39.1 | -55.3 | 0 | 0 | 112.1 | R66 G67 K72 R73 L74 E113 | R66-Q70 WeakPolarHBondContact O-CG 2.96Å; R66-Q70 PolarHBondContact O-N 3.43Å; G67-Q70 PolarHBondContact O-N 3.3Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-K72 PolarHBondContact O-N 3.48Å; Q70-R73 PolarHBondContact O-N 3.22Å; Q70-R73 VanDerWaalsContact O-N 3.15Å; Q70-R73 VanDerWaalsContact OE1-CZ 3.27Å; Q70-L74 HydrophobicContact CB-CD1 4.49Å; Q70-L74 WeakPolarHBondContact O-CB 3.16Å; Q70-L74 VanDerWaalsContact O-CG 3.25Å; Q70-L74 WeakPolarHBondContact O-CG 3.28Å; Q70-L74 PolarHBondContact O-N 3.36Å; Q70-E113 HydrophobicContact CB-CB 4.41Å; Q70-E113 HydrophobicContact CB-CG 3.81Å; Q70-E113 HydrophobicContact CG-CG 4.31Å |
| 71 | V | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | M41 M44 I45 G67 I68 R73 T75 M110 E113 I114 I117 | M41-V71 HydrophobicContact CE-CG1 4.1Å; M41-V71 HydrophobicContact CG-CG1 3.72Å; M41-V71 HydrophobicContact SD-CG1 3.61Å; M44-V71 HydrophobicContact CE-CG1 3.91Å; M44-V71 HydrophobicContact CE-CG2 4.23Å; I45-V71 HydrophobicContact CD1-CG1 4.15Å; I45-V71 HydrophobicContact CG1-CG1 4.39Å; G67-V71 WeakPolarHBondContact O-CG2 3.42Å; G67-V71 PolarHBondContact O-N 3.38Å; I68-V71 PolarHBondContact O-N 3.39Å; V71-R73 PolarHBondContact O-N 3.24Å; V71-T75 PolarHBondContact O-N 2.69Å; V71-T75 PolarHBondContact O-OG1 2.94Å; V71-M110 HydrophobicContact CB-SD 4.16Å; V71-M110 HydrophobicContact CG1-SD 3.89Å; V71-M110 HydrophobicContact CG2-SD 4.01Å; V71-E113 HydrophobicContact CG2-CB 4.47Å; V71-I114 HydrophobicContact CG2-CG1 3.98Å; V71-I117 HydrophobicContact CG2-CD1 3.95Å |
| 72 | K | 93.9 | Very high | 91.6 | Very high | 101 Ų | 101 | 31.1 Ų | 31.1 | 44% | 0.439 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 174.4 | -73.5 | 167.3 | 179.7 | 167.7 | 0 | 111.7 | I45 I68 E69 Q70 P76 | I45-K72 HydrophobicContact CD1-CG 3.95Å; I68-K72 HydrophobicContact CG2-CD 3.81Å; I68-K72 HydrophobicContact CG2-CG 4.48Å; I68-K72 WeakPolarHBondContact O-CB 3.49Å; I68-K72 VanDerWaalsContact O-CG 3.26Å; I68-K72 WeakPolarHBondContact O-CG 3.49Å; I68-K72 PolarHBondContact O-N 3.23Å; E69-K72 PolarHBondContact O-N 3.41Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-K72 PolarHBondContact O-N 3.48Å; K72-P76 WeakPolarHBondContact O-CD 3.33Å |
| 73 | R | 91.5 | Very high | 92.4 | Very high | 52 Ų | 52 | 34.3 Ų | 34.3 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -43.9 | -178.5 | -171.8 | 167 | 73.5 | 117.8 | 6.4 | 113.4 | E69 Q70 V71 P76 I77 H510 D513 T514 R517 | E69-R73 WeakPolarHBondContact O-CB 3.23Å; E69-R73 PolarHBondContact O-N 3.43Å; Q70-R73 PolarHBondContact O-N 3.22Å; Q70-R73 VanDerWaalsContact O-N 3.15Å; Q70-R73 VanDerWaalsContact OE1-CZ 3.27Å; V71-R73 PolarHBondContact O-N 3.24Å; R73-P76 WeakPolarHBondContact O-CD 3.32Å; R73-I77 WeakPolarHBondContact O-CD1 3.35Å; R73-H510 VanDerWaalsContact CZ-NE2 3.25Å; R73-H510 PolarHBondContact NH1-CD2 3.48Å; R73-H510 PolarHBondContact NH1-O 3.02Å; R73-H510 PolarHBondContact NH2-CD2 2.96Å; R73-H510 PolarHBondContact NH2-NE2 3.15Å; R73-D513 IonicContact CZ-OD2 3.6Å; R73-D513 VanDerWaalsContact NH1-CB 3.26Å; R73-D513 IonicContact NH1-OD2 3.63Å; R73-D513 PolarHBondContact NH1-OD2 3Å; R73-T514 PolarHBondContact NH2-OG1 3.46Å; R73-R517 VanDerWaalsContact NH2-NH2 3.16Å |
| 74 | L | 93.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.7 | -28.8 | -176.3 | -68.6 | 170.8 | 0 | 0 | 0 | 113.3 | Q70 I77 L78 L106 E109 M110 E113 H510 | Q70-L74 HydrophobicContact CB-CD1 4.49Å; Q70-L74 WeakPolarHBondContact O-CB 3.16Å; Q70-L74 VanDerWaalsContact O-CG 3.25Å; Q70-L74 WeakPolarHBondContact O-CG 3.28Å; Q70-L74 PolarHBondContact O-N 3.36Å; L74-I77 PolarHBondContact O-N 3.37Å; L74-I77 VanDerWaalsContact O-N 3.14Å; L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 PolarHBondContact O-N 3.33Å; L74-L106 HydrophobicContact CD2-CD2 4.17Å; L74-E109 HydrophobicContact CD1-CB 4.41Å; L74-E109 HydrophobicContact CD1-CG 3.91Å; L74-E109 HydrophobicContact CD2-CG 4.22Å; L74-E109 WeakPolarHBondContact CD2-OE2 3.43Å; L74-M110 HydrophobicContact CB-CE 3.56Å; L74-M110 HydrophobicContact CB-SD 4.39Å; L74-E113 HydrophobicContact CD1-CG 4.43Å; L74-H510 WeakPolarHBondContact CD2-NE2 3.2Å |
| 75 | T | 94.3 | Very high | 93.3 | Very high | 24 Ų | 24 | 34 Ų | 34 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.6 | -54.9 | -175 | -66.7 | 0 | 0 | 0 | 0 | 114.5 | M41 V71 I77 L78 I79 M110 | M41-T75 HydrophobicContact SD-CG2 4.19Å; M41-T75 PolarHBondContact SD-OG1 3.21Å; V71-T75 PolarHBondContact O-N 2.69Å; V71-T75 PolarHBondContact O-OG1 2.94Å; T75-I77 VanDerWaalsContact C-N 3.31Å; T75-I77 PolarHBondContact O-N 2.95Å; T75-L78 PolarHBondContact O-N 3.45Å; T75-I79 HydrophobicContact CG2-CD1 3.98Å; T75-I79 WeakPolarHBondContact O-CG1 3.4Å; T75-I79 PolarHBondContact O-N 2.85Å; T75-I79 VanDerWaalsContact O-N 3.1Å; T75-M110 WeakPolarHBondContact OG1-CE 3.49Å |
| 76 | P | 94.6 | Very high | 93.4 | Very high | 65 Ų | 65 | 31 Ų | 31 | 42% | 0.422 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66 | -33.4 | 178.8 | 26.7 | -35.7 | 0 | 0 | 0 | 112.5 | K72 R73 I79 S80 M506 | K72-P76 WeakPolarHBondContact O-CD 3.33Å; R73-P76 WeakPolarHBondContact O-CD 3.32Å; P76-I79 PolarHBondContact O-N 3.23Å; P76-S80 WeakPolarHBondContact O-CB 3.48Å; P76-S80 PolarHBondContact O-N 3.47Å; P76-M506 VanDerWaalsContact C-CE 3.5Å; P76-M506 HydrophobicContact CB-CE 3.83Å; P76-M506 HydrophobicContact CG-CE 4.41Å; P76-M506 WeakPolarHBondContact O-CE 3.41Å |
| 77 | I | 96.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.046 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.9 | -46.2 | 179.8 | -46.5 | 175.5 | 0 | 0 | 0 | 109.9 | R73 L74 T75 S80 S81 L106 M506 M507 H510 | R73-I77 WeakPolarHBondContact O-CD1 3.35Å; L74-I77 PolarHBondContact O-N 3.37Å; L74-I77 VanDerWaalsContact O-N 3.14Å; T75-I77 VanDerWaalsContact C-N 3.31Å; T75-I77 PolarHBondContact O-N 2.95Å; I77-S80 WeakPolarHBondContact O-CB 3.31Å; I77-S80 PolarHBondContact O-N 3.47Å; I77-S81 PolarHBondContact O-N 3.39Å; I77-L106 HydrophobicContact CB-CD2 4.25Å; I77-L106 HydrophobicContact CG2-CD1 3.77Å; I77-L106 HydrophobicContact CG2-CD2 3.8Å; I77-L106 HydrophobicContact CG2-CG 4.47Å; I77-M506 HydrophobicContact CB-CE 4.49Å; I77-M506 HydrophobicContact CG1-CB 4.48Å; I77-M506 HydrophobicContact CG1-CE 4.17Å; I77-M506 HydrophobicContact CG2-CB 4.43Å; I77-M507 HydrophobicContact CG2-CG 4.48Å; I77-M507 HydrophobicContact CG2-SD 3.63Å; I77-H510 HydrophobicContact CD1-CB 3.91Å |
| 78 | L | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 174.9 | 173.1 | 58.5 | 0 | 0 | 0 | 112.3 | L18 L74 T75 S80 S81 L82 L106 L107 M110 | L18-L78 HydrophobicContact CD2-CD2 3.85Å; L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 PolarHBondContact O-N 3.33Å; T75-L78 PolarHBondContact O-N 3.45Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 2.89Å; L78-S81 PolarHBondContact O-N 3.07Å; L78-L82 HydrophobicContact CD1-CD1 3.87Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CG-CD1 3.99Å; L78-L82 WeakPolarHBondContact O-CB 3.05Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 3.26Å; L78-L106 HydrophobicContact CB-CB 4.24Å; L78-L106 HydrophobicContact CD1-CB 3.94Å; L78-L107 HydrophobicContact CD1-CD2 3.7Å; L78-L107 HydrophobicContact CD1-CG 3.75Å; L78-L107 HydrophobicContact CD2-CD2 4.06Å; L78-L107 HydrophobicContact CG-CD2 4.48Å; L78-M110 HydrophobicContact CD2-CB 4.49Å; L78-M110 HydrophobicContact CD2-CE 4.3Å; L78-M110 HydrophobicContact CD2-CG 4.44Å |
| 79 | I | 94.3 | Very high | 93.6 | Very high | 45 Ų | 45 | 33.4 Ų | 33.4 | 23% | 0.231 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 177.3 | -67.5 | 169.5 | 0 | 0 | 0 | 110.9 | V34 T75 P76 K83 | V34-I79 HydrophobicContact CG1-CD1 4.24Å; V34-I79 HydrophobicContact CG2-CD1 4.21Å; V34-I79 HydrophobicContact CG2-CG1 4.1Å; V34-I79 HydrophobicContact CG2-CG2 4.21Å; T75-I79 HydrophobicContact CG2-CD1 3.98Å; T75-I79 WeakPolarHBondContact O-CG1 3.4Å; T75-I79 PolarHBondContact O-N 2.85Å; T75-I79 VanDerWaalsContact O-N 3.1Å; P76-I79 PolarHBondContact O-N 3.23Å; I79-K83 WeakPolarHBondContact O-CB 3.35Å; I79-K83 PolarHBondContact O-N 2.92Å |
| 80 | S | 95.7 | Very high | 93.5 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 174.6 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | P76 I77 L78 L82 K83 L84 H503 | P76-S80 WeakPolarHBondContact O-CB 3.48Å; P76-S80 PolarHBondContact O-N 3.47Å; I77-S80 WeakPolarHBondContact O-CB 3.31Å; I77-S80 PolarHBondContact O-N 3.47Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 2.89Å; S80-L82 PolarHBondContact O-N 3.42Å; S80-K83 WeakPolarHBondContact O-CB 3.42Å; S80-K83 PolarHBondContact O-N 3.41Å; S80-L84 WeakPolarHBondContact O-CB 3.44Å; S80-L84 PolarHBondContact O-N 2.81Å; S80-H503 PolarHBondContact OG-ND1 3.26Å |
| 81 | S | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.3 | -164.3 | 0 | 0 | 0 | 0 | 112.9 | I77 L78 L84 H85 N102 R103 | I77-S81 PolarHBondContact O-N 3.39Å; L78-S81 PolarHBondContact O-N 3.07Å; S81-L84 PolarHBondContact O-N 3.49Å; S81-H85 WeakPolarHBondContact O-CB 3.13Å; S81-H85 PolarHBondContact O-N 3.26Å; S81-N102 VanDerWaalsContact OG-C 3.29Å; S81-N102 WeakPolarHBondContact OG-CB 3.45Å; S81-R103 WeakPolarHBondContact OG-CA 3.32Å; S81-R103 PolarHBondContact OG-N 3.46Å |
| 82 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 174.8 | -79.8 | 164 | 0 | 0 | 0 | 111.4 | A21 L30 F33 L78 S80 L84 V86 R103 | A21-L82 HydrophobicContact CB-CD2 4.27Å; L30-L82 HydrophobicContact CD1-CB 3.71Å; L30-L82 HydrophobicContact CD1-CD1 4.15Å; L30-L82 HydrophobicContact CD1-CG 4.44Å; L30-L82 HydrophobicContact CD2-CB 4.3Å; F33-L82 HydrophobicContact CD1-CD1 4.21Å; F33-L82 HydrophobicContact CE1-CD1 3.6Å; F33-L82 HydrophobicContact CZ-CD1 4.22Å; L78-L82 HydrophobicContact CD1-CD1 3.87Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CG-CD1 3.99Å; L78-L82 WeakPolarHBondContact O-CB 3.05Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 3.26Å; S80-L82 PolarHBondContact O-N 3.42Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.93Å; L82-V86 WeakPolarHBondContact O-CB 3.47Å; L82-V86 WeakPolarHBondContact O-CG2 3.4Å; L82-V86 PolarHBondContact O-N 2.99Å; L82-R103 HydrophobicContact CD2-CG 3.68Å; L82-R103 HydrophobicContact CG-CG 4.24Å |
| 83 | K | 94.1 | Very high | 93 | Very high | 121 Ų | 121 | 37.7 Ų | 37.7 | 53% | 0.526 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.7 | -175 | -171.7 | 175 | -167.5 | 0 | 111.6 | L27 L30 I79 S80 N87 | L27-K83 HydrophobicContact CD2-CG 4.39Å; L30-K83 HydrophobicContact CD2-CB 3.77Å; L30-K83 HydrophobicContact CD2-CG 4.38Å; I79-K83 WeakPolarHBondContact O-CB 3.35Å; I79-K83 PolarHBondContact O-N 2.92Å; S80-K83 WeakPolarHBondContact O-CB 3.42Å; S80-K83 PolarHBondContact O-N 3.41Å; K83-N87 WeakPolarHBondContact O-CB 3.48Å; K83-N87 PolarHBondContact O-N 3.1Å |
| 84 | L | 93.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -54.8 | 178.6 | -160 | 71.7 | 0 | 0 | 0 | 110.7 | S80 S81 L82 V86 N87 T88 L496 A499 T500 H503 | S80-L84 WeakPolarHBondContact O-CB 3.44Å; S80-L84 PolarHBondContact O-N 2.81Å; S81-L84 PolarHBondContact O-N 3.49Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.93Å; L84-V86 PolarHBondContact O-N 3.32Å; L84-N87 PolarHBondContact O-N 2.87Å; L84-N87 VanDerWaalsContact O-N 3.15Å; L84-T88 PolarHBondContact O-N 2.72Å; L84-T88 PolarHBondContact O-OG1 2.67Å; L84-T88 VanDerWaalsContact O-OG1 3.05Å; L84-L496 HydrophobicContact CD1-CD1 4.47Å; L84-A499 HydrophobicContact CD1-CB 3.82Å; L84-T500 HydrophobicContact CD1-CG2 3.81Å; L84-T500 HydrophobicContact CD2-CG2 4.25Å; L84-T500 HydrophobicContact CG-CG2 4.43Å; L84-H503 HydrophobicContact CD2-CB 4.22Å |
| 85 | H | 94.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.9 | -49.2 | 178.9 | 171.9 | 69.3 | 0 | 0 | 0 | 112.5 | S81 N87 T88 H89 S99 Q100 R103 | S81-H85 WeakPolarHBondContact O-CB 3.13Å; S81-H85 PolarHBondContact O-N 3.26Å; H85-N87 PolarHBondContact O-N 3.22Å; H85-T88 WeakPolarHBondContact CA-OG1 3.27Å; H85-T88 PolarHBondContact O-N 2.72Å; H85-T88 PolarHBondContact O-OG1 2.95Å; H85-H89 VanDerWaalsContact O-CB 3.25Å; H85-H89 WeakPolarHBondContact O-CB 3.45Å; H85-H89 PolarHBondContact O-N 3.42Å; H85-S99 WeakPolarHBondContact CA-OG 3.39Å; H85-Q100 WeakPolarHBondContact ND1-CB 3.31Å; H85-R103 PolarHBondContact NE2-NH1 3.46Å |
| 86 | V | 93.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 176.6 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | V24 S26 L27 L82 L84 T88 Q90 | V24-V86 HydrophobicContact CG1-CG2 4.11Å; V24-V86 VanDerWaalsContact O-CG2 3.3Å; V24-V86 WeakPolarHBondContact O-CG2 3.46Å; S26-V86 VanDerWaalsContact C-CG1 3.4Å; L27-V86 HydrophobicContact CD2-CG1 4.1Å; L27-V86 HydrophobicContact CG-CG1 4.02Å; L82-V86 WeakPolarHBondContact O-CB 3.47Å; L82-V86 WeakPolarHBondContact O-CG2 3.4Å; L82-V86 PolarHBondContact O-N 2.99Å; L84-V86 PolarHBondContact O-N 3.32Å; V86-T88 PolarHBondContact O-N 2.74Å; V86-Q90 WeakPolarHBondContact O-CB 3.43Å; V86-Q90 PolarHBondContact O-N 2.9Å |
| 87 | N | 92.6 | Very high | 92 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 10% | 0.102 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 179.3 | -171.6 | 53.1 | 0 | 0 | 0 | 112.1 | K83 L84 H85 N91 G492 | K83-N87 WeakPolarHBondContact O-CB 3.48Å; K83-N87 PolarHBondContact O-N 3.1Å; L84-N87 PolarHBondContact O-N 2.87Å; L84-N87 VanDerWaalsContact O-N 3.15Å; H85-N87 PolarHBondContact O-N 3.22Å; N87-N91 WeakPolarHBondContact O-CB 3.42Å; N87-N91 PolarHBondContact O-N 2.94Å; N87-N91 PolarHBondContact O-ND2 3.21Å; N87-N91 PolarHBondContact OD1-ND2 3.34Å; N87-N91 VanDerWaalsContact OD1-ND2 3.14Å; N87-G492 PolarHBondContact ND2-O 2.84Å |
| 88 | T | 92 | Very high | 91.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70 | -42.7 | 179.1 | 47 | 0 | 0 | 0 | 0 | 112.8 | L84 H85 V86 H92 L93 A96 S99 L496 | L84-T88 PolarHBondContact O-N 2.72Å; L84-T88 PolarHBondContact O-OG1 2.67Å; L84-T88 VanDerWaalsContact O-OG1 3.05Å; H85-T88 WeakPolarHBondContact CA-OG1 3.27Å; H85-T88 PolarHBondContact O-N 2.72Å; H85-T88 PolarHBondContact O-OG1 2.95Å; V86-T88 PolarHBondContact O-N 2.74Å; T88-H92 CarbonylContact O-C 3.57Å; T88-H92 WeakPolarHBondContact O-CA 3.43Å; T88-H92 PolarHBondContact O-N 3.07Å; T88-L93 HydrophobicContact CG2-CB 4.29Å; T88-L93 PolarHBondContact O-N 2.92Å; T88-A96 WeakPolarHBondContact OG1-CA 3.21Å; T88-S99 PolarHBondContact OG1-OG 2.86Å; T88-L496 HydrophobicContact CG2-CD1 3.68Å |
| 89 | H | 90.5 | Very high | 91.6 | Very high | 102 Ų | 102 | 39.2 Ų | 39.2 | 47% | 0.472 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.9 | -45.6 | -178.1 | -175.3 | -80.8 | 0 | 0 | 0 | 111.8 | H85 N91 H92 | H85-H89 VanDerWaalsContact O-CB 3.25Å; H85-H89 WeakPolarHBondContact O-CB 3.45Å; H85-H89 PolarHBondContact O-N 3.42Å; H89-N91 VanDerWaalsContact C-N 3.3Å; H89-N91 PolarHBondContact O-N 3.33Å; H89-H92 PolarHBondContact O-N 2.79Å |
| 90 | Q | 89.4 | Confident | 91.4 | Very high | 92 Ų | 92 | 40.6 Ų | 40.6 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.2 | -30.4 | -177.7 | -172.2 | -179.4 | -13.6 | 0 | 0 | 112.8 | V86 | V86-Q90 WeakPolarHBondContact O-CB 3.43Å; V86-Q90 PolarHBondContact O-N 2.9Å |
| 91 | N | 88.9 | Confident | 91.1 | Very high | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 6.7 | -178.5 | -57.5 | -72.6 | 0 | 0 | 0 | 113.8 | N87 H89 L93 P491 | N87-N91 WeakPolarHBondContact O-CB 3.42Å; N87-N91 PolarHBondContact O-N 2.94Å; N87-N91 PolarHBondContact O-ND2 3.21Å; N87-N91 PolarHBondContact OD1-ND2 3.34Å; N87-N91 VanDerWaalsContact OD1-ND2 3.14Å; H89-N91 VanDerWaalsContact C-N 3.3Å; H89-N91 PolarHBondContact O-N 3.33Å; N91-L93 VanDerWaalsContact C-N 3.26Å; N91-L93 HydrophobicContact CB-CD1 3.87Å; N91-L93 HydrophobicContact CB-CG 3.86Å; N91-L93 PolarHBondContact O-N 2.85Å; N91-P491 VanDerWaalsContact CB-O 3.26Å; N91-P491 WeakPolarHBondContact CB-O 3.48Å |
| 92 | H | 88.5 | Confident | 91 | Very high | 169 Ų | 169 | 41 Ų | 41 | 78% | 0.782 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.5 | -176.7 | -53.1 | -56.2 | 0 | 0 | 0 | 115 | T88 H89 | T88-H92 CarbonylContact O-C 3.57Å; T88-H92 WeakPolarHBondContact O-CA 3.43Å; T88-H92 PolarHBondContact O-N 3.07Å; H89-H92 PolarHBondContact O-N 2.79Å |
| 93 | L | 90.4 | Very high | 91 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | trans | -81.3 | 152.3 | 178 | -56.3 | 163.4 | 0 | 0 | 0 | 110.6 | T88 N91 L487 Q490 L496 | T88-L93 HydrophobicContact CG2-CB 4.29Å; T88-L93 PolarHBondContact O-N 2.92Å; N91-L93 VanDerWaalsContact C-N 3.26Å; N91-L93 HydrophobicContact CB-CD1 3.87Å; N91-L93 HydrophobicContact CB-CG 3.86Å; N91-L93 PolarHBondContact O-N 2.85Å; L93-L487 HydrophobicContact CD2-CD2 4.33Å; L93-Q490 HydrophobicContact CD2-CB 4.01Å; L93-L496 HydrophobicContact CB-CD2 4.01Å; L93-L496 HydrophobicContact CD1-CD1 4.39Å; L93-L496 HydrophobicContact CD1-CD2 4.19Å | ||
| 94 | P | 88 | Confident | 90.7 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 158.3 | 177 | 32 | -37.8 | 0 | 0 | 0 | 111.8 | L481 L487 | P94-L481 HydrophobicContact CB-CB 4.22Å; P94-L481 WeakPolarHBondContact CG-O 3.14Å; P94-L487 HydrophobicContact CG-CD1 3.75Å; P94-L487 HydrophobicContact CG-CD2 4.04Å |
| 95 | G | 85.5 | Confident | 90.6 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 5.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A97 E98 S99 | G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 3.15Å; G95-E98 WeakPolarHBondContact CA-OE2 3.4Å; G95-S99 WeakPolarHBondContact O-CB 3.35Å; G95-S99 PolarHBondContact O-N 2.84Å; G95-S99 PolarHBondContact O-OG 3.39Å |
| 96 | A | 89.3 | Confident | 90.5 | Very high | 30 Ų | 30 | 36.1 Ų | 36.1 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -32.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | T88 S99 Q100 | T88-A96 WeakPolarHBondContact OG1-CA 3.21Å; A96-S99 WeakPolarHBondContact CA-OG 3.34Å; A96-S99 PolarHBondContact O-OG 2.96Å; A96-Q100 WeakPolarHBondContact O-CB 3.49Å; A96-Q100 PolarHBondContact O-N 3.26Å; A96-Q100 VanDerWaalsContact O-N 3.15Å |
| 97 | A | 88.5 | Confident | 90.4 | Very high | 69 Ų | 69 | 36.6 Ų | 36.6 | 57% | 0.57 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -78.2 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G95 Q100 A101 | G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 3.15Å; A97-Q100 PolarHBondContact O-N 2.85Å; A97-A101 PolarHBondContact O-N 3.46Å |
| 98 | E | 91.5 | Very high | 90.1 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 175 | -69.7 | 77.6 | -179.2 | 0 | 0 | 111.4 | G95 Q100 A101 N102 L474 R477 A478 L481 | G95-E98 WeakPolarHBondContact CA-OE2 3.4Å; E98-Q100 VanDerWaalsContact C-N 3.35Å; E98-Q100 PolarHBondContact O-N 2.95Å; E98-A101 PolarHBondContact O-N 2.86Å; E98-N102 PolarHBondContact O-N 3.41Å; E98-N102 PolarHBondContact O-OD1 3.37Å; E98-L474 HydrophobicContact CB-CB 4.32Å; E98-L474 WeakPolarHBondContact CB-O 3.41Å; E98-L474 HydrophobicContact CG-CB 4.46Å; E98-L474 HydrophobicContact CG-CD2 4.04Å; E98-R477 HydrophobicContact CG-CB 4.14Å; E98-R477 HydrophobicContact CG-CG 4.11Å; E98-R477 VanDerWaalsContact OE1-CD 3.27Å; E98-R477 WeakPolarHBondContact OE1-CD 3.34Å; E98-A478 HydrophobicContact CB-CB 4.08Å; E98-L481 WeakPolarHBondContact OE1-CD1 3.25Å |
| 99 | S | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.5 | -30.1 | 178 | 58 | 0 | 0 | 0 | 0 | 113.3 | H85 T88 G95 A96 R103 | H85-S99 WeakPolarHBondContact CA-OG 3.39Å; T88-S99 PolarHBondContact OG1-OG 2.86Å; G95-S99 WeakPolarHBondContact O-CB 3.35Å; G95-S99 PolarHBondContact O-N 2.84Å; G95-S99 PolarHBondContact O-OG 3.39Å; A96-S99 WeakPolarHBondContact CA-OG 3.34Å; A96-S99 PolarHBondContact O-OG 2.96Å; S99-R103 VanDerWaalsContact O-CB 3.32Å; S99-R103 WeakPolarHBondContact O-CB 3.32Å; S99-R103 PolarHBondContact O-N 3.03Å |
| 100 | Q | 90.9 | Very high | 90 | Very high | 74 Ų | 74 | 32.4 Ų | 32.4 | 35% | 0.346 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 169.2 | -175.3 | 176.4 | -20.6 | 0 | 0 | 111.4 | H85 A96 A97 E98 N102 R103 D104 | H85-Q100 WeakPolarHBondContact ND1-CB 3.31Å; A96-Q100 WeakPolarHBondContact O-CB 3.49Å; A96-Q100 PolarHBondContact O-N 3.26Å; A96-Q100 VanDerWaalsContact O-N 3.15Å; A97-Q100 PolarHBondContact O-N 2.85Å; E98-Q100 VanDerWaalsContact C-N 3.35Å; E98-Q100 PolarHBondContact O-N 2.95Å; Q100-N102 VanDerWaalsContact C-N 3.33Å; Q100-N102 PolarHBondContact O-N 2.87Å; Q100-R103 WeakPolarHBondContact O-CB 3.45Å; Q100-R103 PolarHBondContact O-N 3.03Å; Q100-R103 VanDerWaalsContact O-N 3.13Å; Q100-D104 WeakPolarHBondContact CG-OD2 3.43Å; Q100-D104 PolarHBondContact NE2-OD2 3.16Å; Q100-D104 PolarHBondContact O-N 3.31Å |
| 101 | A | 89.7 | Confident | 89.9 | Confident | 33 Ų | 33 | 28.9 Ų | 28.9 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A97 E98 D104 F105 Q471 L474 | A97-A101 PolarHBondContact O-N 3.46Å; E98-A101 PolarHBondContact O-N 2.86Å; A101-D104 PolarHBondContact O-N 2.98Å; A101-F105 WeakPolarHBondContact O-CB 3.28Å; A101-F105 PolarHBondContact O-N 3.47Å; A101-Q471 PolarHBondContact O-OE1 3.37Å; A101-L474 HydrophobicContact CB-CD1 3.79Å |
| 102 | N | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 171.4 | -66.7 | 154.4 | 0 | 0 | 0 | 111.8 | S81 E98 Q100 F105 L106 Q471 A475 | S81-N102 VanDerWaalsContact OG-C 3.29Å; S81-N102 WeakPolarHBondContact OG-CB 3.45Å; E98-N102 PolarHBondContact O-N 3.41Å; E98-N102 PolarHBondContact O-OD1 3.37Å; Q100-N102 VanDerWaalsContact C-N 3.33Å; Q100-N102 PolarHBondContact O-N 2.87Å; N102-F105 PolarHBondContact O-N 2.91Å; N102-L106 WeakPolarHBondContact O-CB 3.39Å; N102-L106 WeakPolarHBondContact O-CD1 3.22Å; N102-L106 VanDerWaalsContact O-CG 3.31Å; N102-L106 WeakPolarHBondContact O-CG 3.09Å; N102-L106 PolarHBondContact O-N 3.5Å; N102-Q471 PolarHBondContact ND2-O 2.76Å; N102-Q471 PolarHBondContact ND2-OE1 3.46Å; N102-A475 PolarHBondContact OD1-N 2.67Å |
| 103 | R | 93.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -51.8 | 176.8 | 177.8 | -154.7 | 81.3 | 173.4 | 12.3 | 111.1 | S81 L82 H85 S99 Q100 F105 L106 L107 | S81-R103 WeakPolarHBondContact OG-CA 3.32Å; S81-R103 PolarHBondContact OG-N 3.46Å; L82-R103 HydrophobicContact CD2-CG 3.68Å; L82-R103 HydrophobicContact CG-CG 4.24Å; H85-R103 PolarHBondContact NE2-NH1 3.46Å; S99-R103 VanDerWaalsContact O-CB 3.32Å; S99-R103 WeakPolarHBondContact O-CB 3.32Å; S99-R103 PolarHBondContact O-N 3.03Å; Q100-R103 WeakPolarHBondContact O-CB 3.45Å; Q100-R103 PolarHBondContact O-N 3.03Å; Q100-R103 VanDerWaalsContact O-N 3.13Å; R103-F105 VanDerWaalsContact C-N 3.33Å; R103-F105 PolarHBondContact O-N 3.35Å; R103-L106 PolarHBondContact O-N 3.2Å; R103-L107 HydrophobicContact CG-CD1 3.91Å; R103-L107 WeakPolarHBondContact O-CB 3.44Å; R103-L107 VanDerWaalsContact O-CG 3.28Å; R103-L107 WeakPolarHBondContact O-CG 3.02Å; R103-L107 PolarHBondContact O-N 3.47Å |
| 104 | D | 89.1 | Confident | 89.7 | Confident | 19 Ų | 19 | 20.4 Ų | 20.4 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.9 | -30.1 | -176.3 | -71.5 | -36.4 | 0 | 0 | 0 | 112.5 | Q100 A101 S108 T167 | Q100-D104 WeakPolarHBondContact CG-OD2 3.43Å; Q100-D104 PolarHBondContact NE2-OD2 3.16Å; Q100-D104 PolarHBondContact O-N 3.31Å; A101-D104 PolarHBondContact O-N 2.98Å; D104-S108 WeakPolarHBondContact O-CB 2.83Å; D104-S108 PolarHBondContact O-N 3.44Å; D104-T167 PolarHBondContact OD1-OG1 3.34Å |
| 105 | F | 90.9 | Very high | 89.5 | Confident | 9 Ų | 9 | 18.4 Ų | 18.4 | 4% | 0.039 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.8 | -57.4 | 167.1 | 174.7 | -101.9 | 0 | 0 | 0 | 111.9 | A101 N102 R103 L107 S108 E109 E467 L468 Q471 | A101-F105 WeakPolarHBondContact O-CB 3.28Å; A101-F105 PolarHBondContact O-N 3.47Å; N102-F105 PolarHBondContact O-N 2.91Å; R103-F105 VanDerWaalsContact C-N 3.33Å; R103-F105 PolarHBondContact O-N 3.35Å; F105-L107 VanDerWaalsContact C-N 3.31Å; F105-L107 PolarHBondContact O-N 2.87Å; F105-S108 CarbonylContact O-C 3.58Å; F105-S108 PolarHBondContact O-N 3.32Å; F105-E109 HydrophobicContact CE1-CB 4.49Å; F105-E109 WeakPolarHBondContact CE1-OE2 3.49Å; F105-E109 HydrophobicContact CZ-CB 4.48Å; F105-E109 HydrophobicContact CZ-CG 4.4Å; F105-E109 WeakPolarHBondContact CZ-OE1 3.35Å; F105-E109 WeakPolarHBondContact O-CB 3.42Å; F105-E109 PolarHBondContact O-N 2.92Å; F105-E467 HydrophobicContact CD2-CG 3.82Å; F105-E467 WeakPolarHBondContact CD2-OE1 3.46Å; F105-E467 HydrophobicContact CE2-CB 4.1Å; F105-E467 HydrophobicContact CE2-CG 3.67Å; F105-L468 HydrophobicContact CE1-CD1 3.91Å; F105-L468 HydrophobicContact CZ-CB 4.19Å; F105-L468 HydrophobicContact CZ-CD1 4.22Å; F105-Q471 VanDerWaalsContact CB-CD 3.49Å; F105-Q471 HydrophobicContact CB-CG 3.86Å; F105-Q471 HydrophobicContact CD1-CB 4.21Å; F105-Q471 HydrophobicContact CD1-CG 3.73Å; F105-Q471 HydrophobicContact CD2-CG 3.81Å; F105-Q471 HydrophobicContact CE1-CG 4.23Å; F105-Q471 HydrophobicContact CE2-CG 4.3Å; F105-Q471 HydrophobicContact CG-CB 4.46Å; F105-Q471 HydrophobicContact CG-CG 3.51Å |
| 106 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -33.3 | -174.7 | -69.3 | 162.5 | 0 | 0 | 0 | 112.7 | L74 I77 L78 N102 R103 M110 M507 | L74-L106 HydrophobicContact CD2-CD2 4.17Å; I77-L106 HydrophobicContact CB-CD2 4.25Å; I77-L106 HydrophobicContact CG2-CD1 3.77Å; I77-L106 HydrophobicContact CG2-CD2 3.8Å; I77-L106 HydrophobicContact CG2-CG 4.47Å; L78-L106 HydrophobicContact CB-CB 4.24Å; L78-L106 HydrophobicContact CD1-CB 3.94Å; N102-L106 WeakPolarHBondContact O-CB 3.39Å; N102-L106 WeakPolarHBondContact O-CD1 3.22Å; N102-L106 VanDerWaalsContact O-CG 3.31Å; N102-L106 WeakPolarHBondContact O-CG 3.09Å; N102-L106 PolarHBondContact O-N 3.5Å; R103-L106 PolarHBondContact O-N 3.2Å; L106-M110 WeakPolarHBondContact O-CB 3.44Å; L106-M110 PolarHBondContact O-N 3.42Å; L106-M507 HydrophobicContact CD1-SD 4.26Å; L106-M507 HydrophobicContact CD2-SD 4.32Å |
| 107 | L | 91.2 | Very high | 89.3 | Confident | 12 Ų | 12 | 18.6 Ų | 18.6 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 171.3 | -76.5 | 171.2 | 0 | 0 | 0 | 111.8 | L18 A21 L78 R103 F105 S111 | L18-L107 HydrophobicContact CD2-CD2 4.15Å; A21-L107 HydrophobicContact CB-CD1 3.72Å; A21-L107 HydrophobicContact CB-CD2 3.47Å; A21-L107 VanDerWaalsContact CB-CD2 3.47Å; A21-L107 HydrophobicContact CB-CG 4.24Å; L78-L107 HydrophobicContact CD1-CD2 3.7Å; L78-L107 HydrophobicContact CD1-CG 3.75Å; L78-L107 HydrophobicContact CD2-CD2 4.06Å; L78-L107 HydrophobicContact CG-CD2 4.48Å; R103-L107 HydrophobicContact CG-CD1 3.91Å; R103-L107 WeakPolarHBondContact O-CB 3.44Å; R103-L107 VanDerWaalsContact O-CG 3.28Å; R103-L107 WeakPolarHBondContact O-CG 3.02Å; R103-L107 PolarHBondContact O-N 3.47Å; F105-L107 VanDerWaalsContact C-N 3.31Å; F105-L107 PolarHBondContact O-N 2.87Å; L107-S111 VanDerWaalsContact O-CB 3.25Å; L107-S111 WeakPolarHBondContact O-CB 3.42Å; L107-S111 PolarHBondContact O-N 3.18Å; L107-S111 PolarHBondContact O-OG 3.01Å |
| 108 | S | 86.4 | Confident | 89.3 | Confident | 10 Ų | 10 | 15.4 Ų | 15.4 | 7% | 0.07 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -74 | -35.5 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 113 | D104 F105 S111 S112 K171 | D104-S108 WeakPolarHBondContact O-CB 2.83Å; D104-S108 PolarHBondContact O-N 3.44Å; F105-S108 CarbonylContact O-C 3.58Å; F105-S108 PolarHBondContact O-N 3.32Å; S108-S111 PolarHBondContact O-N 3.47Å; S108-S112 WeakPolarHBondContact O-CB 3.49Å; S108-S112 PolarHBondContact O-N 2.94Å; S108-K171 VanDerWaalsContact CB-CD 3.41Å; S108-K171 WeakPolarHBondContact OG-CB 3.24Å; S108-K171 WeakPolarHBondContact OG-CD 3.38Å |
| 109 | E | 87.9 | Confident | 88.9 | Confident | 23 Ų | 23 | 14.5 Ų | 14.5 | 11% | 0.107 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.3 | -51.2 | 177.7 | -167.9 | 175.7 | -145 | 0 | 0 | 110 | L74 F105 S111 S112 E113 H510 | L74-E109 HydrophobicContact CD1-CB 4.41Å; L74-E109 HydrophobicContact CD1-CG 3.91Å; L74-E109 HydrophobicContact CD2-CG 4.22Å; L74-E109 WeakPolarHBondContact CD2-OE2 3.43Å; F105-E109 HydrophobicContact CE1-CB 4.49Å; F105-E109 WeakPolarHBondContact CE1-OE2 3.49Å; F105-E109 HydrophobicContact CZ-CB 4.48Å; F105-E109 HydrophobicContact CZ-CG 4.4Å; F105-E109 WeakPolarHBondContact CZ-OE1 3.35Å; F105-E109 WeakPolarHBondContact O-CB 3.42Å; F105-E109 PolarHBondContact O-N 2.92Å; E109-S111 VanDerWaalsContact C-N 3.3Å; E109-S111 PolarHBondContact O-N 3.28Å; E109-S112 WeakPolarHBondContact O-CB 3.45Å; E109-S112 PolarHBondContact O-N 3.46Å; E109-S112 VanDerWaalsContact O-N 3.11Å; E109-E113 PolarHBondContact O-N 3.33Å; E109-H510 IonicContact OE1-CE1 2.75Å; E109-H510 PolarHBondContact OE1-CE1 3.09Å; E109-H510 IonicContact OE2-CE1 2.99Å; E109-H510 PolarHBondContact OE2-CE1 3.12Å |
| 110 | M | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -54.3 | -45.1 | 171.2 | -180 | 69.3 | 78 | 0 | 0 | 111.8 | L18 M41 V71 L74 T75 L78 L106 I114 | L18-M110 HydrophobicContact CD1-CB 4.48Å; L18-M110 HydrophobicContact CD1-CG 3.62Å; L18-M110 HydrophobicContact CD2-CG 4.2Å; M41-M110 HydrophobicContact CE-CE 3.96Å; M41-M110 HydrophobicContact CE-CG 4.48Å; M41-M110 HydrophobicContact CE-SD 3.85Å; V71-M110 HydrophobicContact CB-SD 4.16Å; V71-M110 HydrophobicContact CG1-SD 3.89Å; V71-M110 HydrophobicContact CG2-SD 4.01Å; L74-M110 HydrophobicContact CB-CE 3.56Å; L74-M110 HydrophobicContact CB-SD 4.39Å; T75-M110 WeakPolarHBondContact OG1-CE 3.49Å; L78-M110 HydrophobicContact CD2-CB 4.49Å; L78-M110 HydrophobicContact CD2-CE 4.3Å; L78-M110 HydrophobicContact CD2-CG 4.44Å; L106-M110 WeakPolarHBondContact O-CB 3.44Å; L106-M110 PolarHBondContact O-N 3.42Å; M110-I114 HydrophobicContact CG-CD1 4.1Å; M110-I114 WeakPolarHBondContact O-CD1 3.14Å; M110-I114 VanDerWaalsContact O-CG1 3.31Å; M110-I114 WeakPolarHBondContact O-CG1 3.47Å; M110-I114 PolarHBondContact O-N 2.82Å; M110-I114 VanDerWaalsContact O-N 3.15Å; M110-I114 HydrophobicContact SD-CD1 4.34Å |
| 111 | S | 89.1 | Confident | 88.2 | Confident | 18 Ų | 18 | 11.4 Ų | 11.4 | 13% | 0.126 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 178.9 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | L107 S108 E109 I114 H115 | L107-S111 VanDerWaalsContact O-CB 3.25Å; L107-S111 WeakPolarHBondContact O-CB 3.42Å; L107-S111 PolarHBondContact O-N 3.18Å; L107-S111 PolarHBondContact O-OG 3.01Å; S108-S111 PolarHBondContact O-N 3.47Å; E109-S111 VanDerWaalsContact C-N 3.3Å; E109-S111 PolarHBondContact O-N 3.28Å; S111-I114 PolarHBondContact O-N 3.18Å; S111-H115 PolarHBondContact O-N 3.18Å; S111-H115 PolarHBondContact O-ND1 3.36Å |
| 112 | S | 82.6 | Confident | 87.9 | Confident | 28 Ų | 28 | 14 Ų | 14 | 20% | 0.196 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | 177.9 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | S108 E109 I114 H115 E116 R149 | S108-S112 WeakPolarHBondContact O-CB 3.49Å; S108-S112 PolarHBondContact O-N 2.94Å; E109-S112 WeakPolarHBondContact O-CB 3.45Å; E109-S112 PolarHBondContact O-N 3.46Å; E109-S112 VanDerWaalsContact O-N 3.11Å; S112-I114 VanDerWaalsContact C-N 3.31Å; S112-I114 PolarHBondContact O-N 3.18Å; S112-H115 PolarHBondContact O-N 3.32Å; S112-H115 VanDerWaalsContact O-N 3.14Å; S112-E116 PolarHBondContact O-N 3.35Å; S112-R149 PolarHBondContact OG-NH2 2.76Å |
| 113 | E | 87.6 | Confident | 87 | Confident | 10 Ų | 10 | 15.4 Ų | 15.4 | 5% | 0.047 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.9 | -33.8 | 176.3 | -70.8 | -68.6 | 178.1 | 0 | 0 | 112.5 | R66 Q70 V71 L74 E109 E116 I117 | R66-E113 IonicContact CZ-OE1 2.69Å; R66-E113 IonicContact CZ-OE2 3.47Å; R66-E113 VanDerWaalsContact CZ-OE2 3.31Å; R66-E113 VanDerWaalsContact NH1-CD 3.34Å; R66-E113 IonicContact NH1-OE1 2.84Å; R66-E113 PolarHBondContact NH1-OE1 2.74Å; R66-E113 IonicContact NH1-OE2 3.77Å; R66-E113 PolarHBondContact NH1-OE2 3Å; R66-E113 VanDerWaalsContact NH1-OE2 3.12Å; R66-E113 IonicContact NH2-OE1 2.68Å; R66-E113 IonicContact NH2-OE2 2.78Å; R66-E113 PolarHBondContact NH2-OE2 3.5Å; Q70-E113 HydrophobicContact CB-CB 4.41Å; Q70-E113 HydrophobicContact CB-CG 3.81Å; Q70-E113 HydrophobicContact CG-CG 4.31Å; V71-E113 HydrophobicContact CG2-CB 4.47Å; L74-E113 HydrophobicContact CD1-CG 4.43Å; E109-E113 PolarHBondContact O-N 3.33Å; E113-E116 PolarHBondContact O-N 2.97Å; E113-I117 WeakPolarHBondContact O-CG1 3.37Å; E113-I117 PolarHBondContact O-N 3.47Å |
| 114 | I | 91.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.2 | -35.5 | 173 | -62.9 | 163.6 | 0 | 0 | 0 | 111.8 | C11 V14 L15 L18 M44 V71 M110 S111 S112 E116 I117 I118 | C11-I114 HydrophobicContact CB-CG2 3.92Å; V14-I114 HydrophobicContact CB-CD1 4.29Å; V14-I114 HydrophobicContact CG1-CD1 3.6Å; L15-I114 HydrophobicContact CD1-CG2 4.02Å; L15-I114 HydrophobicContact CD2-CB 4.06Å; L15-I114 HydrophobicContact CD2-CD1 4.45Å; L15-I114 HydrophobicContact CD2-CG2 4.06Å; L15-I114 HydrophobicContact CG-CB 4.32Å; L15-I114 HydrophobicContact CG-CG2 3.76Å; L18-I114 HydrophobicContact CD1-CD1 3.66Å; M44-I114 HydrophobicContact CE-CD1 4.37Å; M44-I114 HydrophobicContact CE-CG1 4.05Å; M44-I114 HydrophobicContact SD-CD1 4.42Å; M44-I114 HydrophobicContact SD-CG1 4.18Å; M44-I114 HydrophobicContact SD-CG2 4.01Å; V71-I114 HydrophobicContact CG2-CG1 3.98Å; M110-I114 HydrophobicContact CG-CD1 4.1Å; M110-I114 WeakPolarHBondContact O-CD1 3.14Å; M110-I114 VanDerWaalsContact O-CG1 3.31Å; M110-I114 WeakPolarHBondContact O-CG1 3.47Å; M110-I114 PolarHBondContact O-N 2.82Å; M110-I114 VanDerWaalsContact O-N 3.15Å; M110-I114 HydrophobicContact SD-CD1 4.34Å; S111-I114 PolarHBondContact O-N 3.18Å; S112-I114 VanDerWaalsContact C-N 3.31Å; S112-I114 PolarHBondContact O-N 3.18Å; I114-E116 VanDerWaalsContact C-N 3.28Å; I114-E116 PolarHBondContact O-N 2.77Å; I114-I117 PolarHBondContact O-N 2.77Å; I114-I118 HydrophobicContact CG2-CD1 4.42Å; I114-I118 VanDerWaalsContact O-CG1 3.32Å; I114-I118 WeakPolarHBondContact O-CG1 3.39Å; I114-I118 PolarHBondContact O-N 3.39Å |
| 115 | H | 84.7 | Confident | 84.1 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.6 | -30.9 | 170.9 | -74.3 | 97.2 | 0 | 0 | 0 | 112.3 | S111 S112 I118 R119 S148 R149 | S111-H115 PolarHBondContact O-N 3.18Å; S111-H115 PolarHBondContact O-ND1 3.36Å; S112-H115 PolarHBondContact O-N 3.32Å; S112-H115 VanDerWaalsContact O-N 3.14Å; H115-I118 WeakPolarHBondContact O-CB 3.31Å; H115-I118 PolarHBondContact O-N 3.27Å; H115-R119 PolarHBondContact O-N 3.36Å; H115-S148 PolarHBondContact CD2-O 2.74Å; H115-R149 HydrophobicContact CB-CG 4.09Å |
| 116 | E | 81.1 | Confident | 81.8 | Confident | 36 Ų | 36 | 28.3 Ų | 28.3 | 17% | 0.168 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75.8 | -35.1 | 176.3 | -164.8 | 65.1 | -180 | 0 | 0 | 112.2 | S112 E113 I114 R119 G120 | S112-E116 PolarHBondContact O-N 3.35Å; E113-E116 PolarHBondContact O-N 2.97Å; I114-E116 VanDerWaalsContact C-N 3.28Å; I114-E116 PolarHBondContact O-N 2.77Å; E116-R119 WeakPolarHBondContact O-CB 3.18Å; E116-R119 PolarHBondContact O-N 2.88Å; E116-R119 IonicContact OE1-CZ 2.6Å; E116-R119 IonicContact OE1-NE 3.3Å; E116-R119 PolarHBondContact OE1-NE 3.27Å; E116-R119 IonicContact OE1-NH2 3.37Å; E116-R119 PolarHBondContact OE1-NH2 3.04Å; E116-R119 IonicContact OE2-NE 2.7Å; E116-R119 PolarHBondContact OE2-NE 3.37Å; E116-G120 PolarHBondContact O-N 3.19Å |
| 117 | I | 90.1 | Very high | 79.3 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 164.9 | -72.6 | 163.2 | 0 | 0 | 0 | 110.5 | V48 L64 V71 E113 I114 R119 G120 L121 | V48-I117 HydrophobicContact CG1-CG2 3.95Å; V48-I117 HydrophobicContact CG2-CG2 3.71Å; L64-I117 HydrophobicContact CD2-CG2 4.25Å; L64-I117 WeakPolarHBondContact CD2-O 3.41Å; V71-I117 HydrophobicContact CG2-CD1 3.95Å; E113-I117 WeakPolarHBondContact O-CG1 3.37Å; E113-I117 PolarHBondContact O-N 3.47Å; I114-I117 PolarHBondContact O-N 2.77Å; I117-R119 VanDerWaalsContact C-N 3.3Å; I117-R119 PolarHBondContact O-N 2.76Å; I117-G120 PolarHBondContact O-N 3.37Å; I117-L121 HydrophobicContact CG2-CD1 3.92Å; I117-L121 HydrophobicContact CG2-CG 4.42Å; I117-L121 VanDerWaalsContact O-CG 3.26Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 2.96Å |
| 118 | I | 88.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 175.4 | -72.1 | 167.8 | 0 | 0 | 0 | 110.5 | I8 C11 R12 L15 I114 H115 L121 Q122 | I8-I118 HydrophobicContact CG1-CG2 4.42Å; I8-I118 HydrophobicContact CG2-CG2 4.39Å; C11-I118 HydrophobicContact CB-CD1 3.66Å; C11-I118 HydrophobicContact CB-CG1 3.5Å; C11-I118 VanDerWaalsContact CB-CG1 3.5Å; R12-I118 HydrophobicContact CG-CD1 4.32Å; L15-I118 HydrophobicContact CD1-CD1 3.88Å; I114-I118 HydrophobicContact CG2-CD1 4.42Å; I114-I118 VanDerWaalsContact O-CG1 3.32Å; I114-I118 WeakPolarHBondContact O-CG1 3.39Å; I114-I118 PolarHBondContact O-N 3.39Å; H115-I118 WeakPolarHBondContact O-CB 3.31Å; H115-I118 PolarHBondContact O-N 3.27Å; I118-L121 PolarHBondContact O-N 3.49Å; I118-Q122 WeakPolarHBondContact O-CG 3.34Å; I118-Q122 PolarHBondContact O-N 3.26Å |
| 119 | R | 83.3 | Confident | 74.8 | Confident | 12 Ų | 12 | 32 Ų | 32 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.6 | -53.5 | 174.6 | -168.6 | -179.8 | 73.7 | 84.8 | -13.5 | 111.1 | H115 E116 I117 L121 Q122 L123 M141 A144 | H115-R119 PolarHBondContact O-N 3.36Å; E116-R119 WeakPolarHBondContact O-CB 3.18Å; E116-R119 PolarHBondContact O-N 2.88Å; E116-R119 IonicContact OE1-CZ 2.6Å; E116-R119 IonicContact OE1-NE 3.3Å; E116-R119 PolarHBondContact OE1-NE 3.27Å; E116-R119 IonicContact OE1-NH2 3.37Å; E116-R119 PolarHBondContact OE1-NH2 3.04Å; E116-R119 IonicContact OE2-NE 2.7Å; E116-R119 PolarHBondContact OE2-NE 3.37Å; I117-R119 VanDerWaalsContact C-N 3.3Å; I117-R119 PolarHBondContact O-N 2.76Å; R119-L121 VanDerWaalsContact C-N 3.29Å; R119-L121 PolarHBondContact O-N 3.29Å; R119-Q122 PolarHBondContact O-N 2.98Å; R119-L123 PolarHBondContact O-N 3.27Å; R119-M141 VanDerWaalsContact NH1-CG 3.35Å; R119-M141 PolarHBondContact NH1-SD 2.87Å; R119-M141 PolarHBondContact NH2-SD 3.3Å; R119-A144 HydrophobicContact CG-CB 3.73Å |
| 120 | G | 80.9 | Confident | 72.5 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E116 I117 Q122 | E116-G120 PolarHBondContact O-N 3.19Å; I117-G120 PolarHBondContact O-N 3.37Å; G120-Q122 VanDerWaalsContact C-N 3.27Å; G120-Q122 PolarHBondContact O-N 3.37Å |
| 121 | L | 86.8 | Confident | 70.1 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.1 | -21.9 | 175.3 | -70.3 | 167.1 | 0 | 0 | 0 | 113.5 | V4 I7 I8 V48 R51 L64 I117 I118 R119 | V4-L121 HydrophobicContact CG1-CB 4.49Å; V4-L121 WeakPolarHBondContact CG1-O 3.22Å; V4-L121 WeakPolarHBondContact CG2-O 3.41Å; I7-L121 HydrophobicContact CB-CD1 4.07Å; I7-L121 HydrophobicContact CB-CD2 4.37Å; I7-L121 HydrophobicContact CD1-CD2 4.02Å; I7-L121 HydrophobicContact CG2-CD1 3.49Å; I7-L121 VanDerWaalsContact CG2-CD1 3.49Å; I7-L121 HydrophobicContact CG2-CD2 3.96Å; I7-L121 HydrophobicContact CG2-CG 4.39Å; I8-L121 HydrophobicContact CG1-CB 4.31Å; I8-L121 HydrophobicContact CG1-CD1 4.12Å; V48-L121 HydrophobicContact CG2-CD1 4.28Å; R51-L121 HydrophobicContact CB-CD2 4.39Å; R51-L121 HydrophobicContact CG-CD2 3.86Å; L64-L121 HydrophobicContact CD1-CD2 3.97Å; L64-L121 HydrophobicContact CD1-CG 4.49Å; L64-L121 HydrophobicContact CD2-CD2 4.37Å; L64-L121 HydrophobicContact CD2-CG 4.05Å; I117-L121 HydrophobicContact CG2-CD1 3.92Å; I117-L121 HydrophobicContact CG2-CG 4.42Å; I117-L121 VanDerWaalsContact O-CG 3.26Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 2.96Å; I118-L121 PolarHBondContact O-N 3.49Å; R119-L121 VanDerWaalsContact C-N 3.29Å; R119-L121 PolarHBondContact O-N 3.29Å |
| 122 | Q | 83.5 | Confident | 67.9 | Low | 89 Ų | 89 | 37 Ų | 37 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -92.6 | -8.9 | -177.9 | -73 | -174.7 | -112.7 | 0 | 0 | 114 | I8 I118 R119 G120 T124 | I8-Q122 HydrophobicContact CD1-CG 3.55Å; I118-Q122 WeakPolarHBondContact O-CG 3.34Å; I118-Q122 PolarHBondContact O-N 3.26Å; R119-Q122 PolarHBondContact O-N 2.98Å; G120-Q122 VanDerWaalsContact C-N 3.27Å; G120-Q122 PolarHBondContact O-N 3.37Å; Q122-T124 PolarHBondContact O-N 3.03Å |
| 123 | L | 74.7 | Confident | 66.3 | Low | 28 Ų | 28 | 36 Ų | 36 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | trans | -69.7 | 125.8 | 173.7 | -57.1 | 171.1 | 0 | 0 | 0 | 108.9 | H60 R119 | H60-L123 WeakPolarHBondContact CD2-CD1 3.35Å; H60-L123 WeakPolarHBondContact NE2-CD1 3.49Å; R119-L123 PolarHBondContact O-N 3.27Å | ||
| 124 | T | 64.9 | Low | 64.5 | Low | 90 Ų | 90 | 37.1 Ų | 37.1 | 55% | 0.552 | 19% | 0.194 | S | C | * | . | trans | -141.1 | 122.7 | -173.4 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | Q122 | Q122-T124 PolarHBondContact O-N 3.03Š| ||
| 125 | E | 55.4 | Low | 62.7 | Low | 167 Ų | 167 | 38.3 Ų | 38.3 | 78% | 0.78 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 61 | 173.4 | -169.9 | -64.3 | 176.3 | -164.7 | 0 | 0 | 112 | D127 | E125-D127 PolarHBondContact O-N 2.95Š|
| 126 | T | 44.1 | Very low | 61.5 | Low | 52 Ų | 52 | 39 Ų | 39 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | trans | -66.7 | 123.2 | -177.2 | 45 | 0 | 0 | 0 | 0 | 109.8 | S128 E130 Q1017 | T126-S128 PolarHBondContact O-N 3.43Å; T126-S128 VanDerWaalsContact O-N 3.15Å; T126-E130 WeakPolarHBondContact CA-OE1 3.42Å; T126-Q1017 PolarHBondContact OG1-NE2 2.95Å | ||
| 127 | D | 40.1 | Very low | 60.2 | Low | 39 Ų | 39 | 37.8 Ų | 37.8 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | trans | -57.8 | 123.8 | 151.2 | -69 | -45 | 0 | 0 | 0 | 105 | E125 S129 E130 H140 | E125-D127 PolarHBondContact O-N 2.95Å; D127-S129 PolarHBondContact O-N 3.12Å; D127-E130 HydrophobicContact CB-CG 3.81Å; D127-E130 PolarHBondContact N-OE1 2.7Å; D127-E130 WeakPolarHBondContact O-CG 3.38Å; D127-E130 PolarHBondContact O-N 3.41Å; D127-H140 IonicContact OD1-CD2 3.76Å | ||
| 128 | S | 39.9 | Very low | 58.9 | Low | 59 Ų | 59 | 37.9 Ų | 37.9 | 41% | 0.413 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 47.8 | -179.4 | 45.2 | 0 | 0 | 0 | 0 | 111.3 | T126 N1065 | T126-S128 PolarHBondContact O-N 3.43Å; T126-S128 VanDerWaalsContact O-N 3.15Å; S128-N1065 PolarHBondContact O-ND2 3.05Å |
| 129 | S | 42 | Very low | 58 | Low | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -173.7 | -23.5 | -146.9 | 159.5 | 0 | 0 | 0 | 0 | 111.1 | D127 L131 F132 D133 A137 | D127-S129 PolarHBondContact O-N 3.12Å; S129-L131 PolarHBondContact O-N 2.98Å; S129-F132 PolarHBondContact O-N 3.16Å; S129-F132 VanDerWaalsContact O-N 3.08Å; S129-D133 PolarHBondContact O-N 3.01Å; S129-D133 VanDerWaalsContact O-N 3.14Å; S129-D133 PolarHBondContact OG-O 3.21Å; S129-A137 WeakPolarHBondContact OG-CA 3.35Å; S129-A137 WeakPolarHBondContact OG-CB 3.37Å; S129-A137 PolarHBondContact OG-N 2.97Å |
| 130 | E | 39.7 | Very low | 57.2 | Low | 59 Ų | 59 | 40.1 Ų | 40.1 | 28% | 0.276 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -16.8 | -174.1 | -83.7 | -171.2 | -150.3 | 0 | 0 | 117.4 | I57 H60 T126 D127 | I57-E130 WeakPolarHBondContact CG2-OE2 3.25Å; H60-E130 IonicContact CE1-OE1 3.54Å; H60-E130 PolarHBondContact CE1-OE1 3.49Å; H60-E130 IonicContact NE2-OE1 3.18Å; T126-E130 WeakPolarHBondContact CA-OE1 3.42Å; D127-E130 HydrophobicContact CB-CG 3.81Å; D127-E130 PolarHBondContact N-OE1 2.7Å; D127-E130 WeakPolarHBondContact O-CG 3.38Å; D127-E130 PolarHBondContact O-N 3.41Å |
| 131 | L | 41.1 | Very low | 56.5 | Low | 43 Ų | 43 | 43.2 Ų | 43.2 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 1 | 171.2 | -142.1 | 113.3 | 0 | 0 | 0 | 116.7 | S129 E1072 | S129-L131 PolarHBondContact O-N 2.98Å; L131-E1072 WeakPolarHBondContact CD2-OE1 3.27Å; L131-E1072 WeakPolarHBondContact CD2-OE2 3.19Å |
| 132 | F | 42.7 | Very low | 56.1 | Low | 45 Ų | 45 | 44.2 Ų | 44.2 | 20% | 0.197 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | -7.5 | -171.8 | -59.4 | -54.2 | 0 | 0 | 0 | 116 | S129 P265 Q1068 E1072 | S129-F132 PolarHBondContact O-N 3.16Å; S129-F132 VanDerWaalsContact O-N 3.08Å; F132-P265 WeakPolarHBondContact O-CB 3.33Å; F132-Q1068 HydrophobicContact CB-CG 4.25Å; F132-Q1068 HydrophobicContact CD1-CB 4.47Å; F132-Q1068 HydrophobicContact CD1-CG 3.47Å; F132-Q1068 VanDerWaalsContact CD1-CG 3.47Å; F132-Q1068 HydrophobicContact CD2-CB 3.8Å; F132-Q1068 HydrophobicContact CD2-CG 3.69Å; F132-Q1068 HydrophobicContact CE1-CB 4.5Å; F132-Q1068 HydrophobicContact CE1-CG 3.58Å; F132-Q1068 HydrophobicContact CE2-CB 3.79Å; F132-Q1068 HydrophobicContact CE2-CG 3.75Å; F132-Q1068 HydrophobicContact CG-CB 4.13Å; F132-Q1068 HydrophobicContact CG-CG 3.53Å; F132-Q1068 HydrophobicContact CZ-CB 4.14Å; F132-Q1068 HydrophobicContact CZ-CG 3.68Å; F132-E1072 HydrophobicContact CZ-CB 4.22Å; F132-E1072 WeakPolarHBondContact CZ-OE2 3.34Å |
| 133 | D | 50.7 | Low | 56 | Low | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | trans | -118 | 61.4 | 166.5 | -163 | 3.2 | 0 | 0 | 0 | 108.7 | S129 D135 L136 A137 P265 R268 | S129-D133 PolarHBondContact O-N 3.01Å; S129-D133 VanDerWaalsContact O-N 3.14Å; S129-D133 PolarHBondContact OG-O 3.21Å; D133-D135 PolarHBondContact O-N 3.11Å; D133-L136 HydrophobicContact CB-CB 4Å; D133-L136 VanDerWaalsContact CG-CB 3.43Å; D133-L136 CarbonylContact O-C 3.56Å; D133-L136 WeakPolarHBondContact O-CA 3.16Å; D133-L136 PolarHBondContact O-N 3.28Å; D133-L136 WeakPolarHBondContact OD2-CB 3.44Å; D133-L136 WeakPolarHBondContact OD2-CD2 3.33Å; D133-A137 PolarHBondContact O-N 3.43Å; D133-P265 HydrophobicContact CB-CB 3.72Å; D133-P265 HydrophobicContact CB-CG 3.74Å; D133-R268 IonicContact OD1-CZ 3.8Å; D133-R268 VanDerWaalsContact OD1-CZ 3.26Å; D133-R268 IonicContact OD1-NE 3.79Å; D133-R268 IonicContact OD1-NH1 2.75Å; D133-R268 PolarHBondContact OD1-NH1 3.4Å; D133-R268 IonicContact OD1-NH2 3.99Å; D133-R268 IonicContact OD2-CZ 3.67Å; D133-R268 IonicContact OD2-NH1 2.76Å; D133-R268 PolarHBondContact OD2-NH1 3.35Å; D133-R268 IonicContact OD2-NH2 3.57Å; D133-R268 PolarHBondContact OD2-NH2 2.69Å | ||
| 134 | D | 49.9 | Very low | 55.9 | Low | 35 Ų | 35 | 41 Ų | 41 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -31.2 | -47.5 | 177.6 | -86.9 | 44.5 | 0 | 0 | 0 | 114.4 | A138 R271 V452 | D134-A138 WeakPolarHBondContact O-CB 3.41Å; D134-A138 PolarHBondContact O-N 3.18Å; D134-R271 HydrophobicContact CB-CG 3.97Å; D134-R271 WeakPolarHBondContact OD2-CD 3.46Å; D134-V452 WeakPolarHBondContact OD1-CG2 3.44Å |
| 135 | D | 53 | Low | 56.4 | Low | 25 Ų | 25 | 37.2 Ų | 37.2 | 13% | 0.134 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -82.1 | -26 | -176.3 | -68.4 | -31.8 | 0 | 0 | 0 | 112.9 | D133 M139 L186 R271 | D133-D135 PolarHBondContact O-N 3.11Å; D135-M139 WeakPolarHBondContact O-CB 3.45Å; D135-M139 PolarHBondContact O-N 3.04Å; D135-L186 WeakPolarHBondContact OD1-CD2 3.31Å; D135-R271 WeakPolarHBondContact OD1-CG 3.45Å; D135-R271 IonicContact OD1-CZ 2.63Å; D135-R271 IonicContact OD1-NE 3.19Å; D135-R271 PolarHBondContact OD1-NE 3.03Å |
| 136 | L | 58.5 | Low | 58 | Low | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -75.4 | -42.7 | 167.7 | -173.4 | 60.5 | 0 | 0 | 0 | 111.2 | D133 A138 M139 H140 | D133-L136 HydrophobicContact CB-CB 4Å; D133-L136 VanDerWaalsContact CG-CB 3.43Å; D133-L136 CarbonylContact O-C 3.56Å; D133-L136 WeakPolarHBondContact O-CA 3.16Å; D133-L136 PolarHBondContact O-N 3.28Å; D133-L136 WeakPolarHBondContact OD2-CB 3.44Å; D133-L136 WeakPolarHBondContact OD2-CD2 3.33Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 3.45Å; L136-M139 HydrophobicContact CD1-CE 4.48Å; L136-M139 PolarHBondContact O-N 2.97Å; L136-H140 WeakPolarHBondContact CD1-NE2 3.45Å; L136-H140 WeakPolarHBondContact O-CB 3.38Å; L136-H140 PolarHBondContact O-N 2.86Å |
| 137 | A | 55.2 | Low | 59.9 | Low | 11 Ų | 11 | 30 Ų | 30 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58 | -49.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S129 D133 M139 H140 M141 | S129-A137 WeakPolarHBondContact OG-CA 3.35Å; S129-A137 WeakPolarHBondContact OG-CB 3.37Å; S129-A137 PolarHBondContact OG-N 2.97Å; D133-A137 PolarHBondContact O-N 3.43Å; A137-M139 PolarHBondContact O-N 3.22Å; A137-H140 PolarHBondContact O-N 3.31Å; A137-M141 WeakPolarHBondContact O-CB 3.48Å; A137-M141 WeakPolarHBondContact O-CG 3.39Å; A137-M141 PolarHBondContact O-N 3.14Å |
| 138 | A | 61.5 | Low | 61.8 | Low | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.3 | -27.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D134 L136 N142 L186 | D134-A138 WeakPolarHBondContact O-CB 3.41Å; D134-A138 PolarHBondContact O-N 3.18Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 3.45Å; A138-N142 VanDerWaalsContact O-CB 3.31Å; A138-N142 WeakPolarHBondContact O-CB 3.28Å; A138-N142 PolarHBondContact O-N 3.2Å; A138-N142 PolarHBondContact O-ND2 3.21Å; A138-L186 HydrophobicContact CB-CD1 3.93Å |
| 139 | M | 69.6 | Low | 64 | Low | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -43.7 | 172.1 | -173.4 | -178.5 | -25.4 | 0 | 0 | 110.4 | D135 L136 A137 N142 K143 L183 L186 N187 | D135-M139 WeakPolarHBondContact O-CB 3.45Å; D135-M139 PolarHBondContact O-N 3.04Å; L136-M139 HydrophobicContact CD1-CE 4.48Å; L136-M139 PolarHBondContact O-N 2.97Å; A137-M139 PolarHBondContact O-N 3.22Å; M139-N142 PolarHBondContact O-N 3.08Å; M139-K143 WeakPolarHBondContact O-CB 3.43Å; M139-K143 PolarHBondContact O-N 2.78Å; M139-L183 HydrophobicContact CB-CD1 4.27Å; M139-L183 HydrophobicContact CG-CD1 3.58Å; M139-L183 HydrophobicContact CG-CG 4.11Å; M139-L183 WeakPolarHBondContact O-CD1 3.3Å; M139-L186 HydrophobicContact CB-CD1 4.09Å; M139-N187 WeakPolarHBondContact CE-ND2 3.36Å |
| 140 | H | 67.2 | Low | 66.3 | Low | 58 Ų | 58 | 28.1 Ų | 28.1 | 27% | 0.269 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65 | -40.1 | 171 | -68.1 | -30.1 | 0 | 0 | 0 | 112.2 | D127 L136 A137 K143 A144 S246 | D127-H140 IonicContact OD1-CD2 3.76Å; L136-H140 WeakPolarHBondContact CD1-NE2 3.45Å; L136-H140 WeakPolarHBondContact O-CB 3.38Å; L136-H140 PolarHBondContact O-N 2.86Å; A137-H140 PolarHBondContact O-N 3.31Å; H140-K143 PolarHBondContact O-N 3.13Å; H140-A144 WeakPolarHBondContact O-CB 3.46Å; H140-A144 PolarHBondContact O-N 3Å; H140-S246 PolarHBondContact ND1-OG 2.98Å |
| 141 | M | 66.9 | Low | 68.6 | Low | 68 Ų | 68 | 30.3 Ų | 30.3 | 34% | 0.335 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.8 | -48.5 | 174.1 | -67 | -142.5 | -173 | 0 | 0 | 112 | R119 A137 A144 A145 | R119-M141 VanDerWaalsContact NH1-CG 3.35Å; R119-M141 PolarHBondContact NH1-SD 2.87Å; R119-M141 PolarHBondContact NH2-SD 3.3Å; A137-M141 WeakPolarHBondContact O-CB 3.48Å; A137-M141 WeakPolarHBondContact O-CG 3.39Å; A137-M141 PolarHBondContact O-N 3.14Å; M141-A144 PolarHBondContact O-N 3.01Å; M141-A145 WeakPolarHBondContact O-CB 3.31Å; M141-A145 PolarHBondContact O-N 2.85Å |
| 142 | N | 76.6 | Confident | 70.7 | Confident | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.144 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.4 | -36.4 | 177.1 | -78.8 | -78.6 | 0 | 0 | 0 | 111.6 | A138 M139 A145 F146 N182 L183 | A138-N142 VanDerWaalsContact O-CB 3.31Å; A138-N142 WeakPolarHBondContact O-CB 3.28Å; A138-N142 PolarHBondContact O-N 3.2Å; A138-N142 PolarHBondContact O-ND2 3.21Å; M139-N142 PolarHBondContact O-N 3.08Å; N142-A145 PolarHBondContact O-N 3.18Å; N142-F146 VanDerWaalsContact O-CB 3.24Å; N142-F146 WeakPolarHBondContact O-CB 3.26Å; N142-F146 PolarHBondContact O-N 3Å; N142-N182 WeakPolarHBondContact OD1-CB 3.43Å; N142-N182 PolarHBondContact OD1-ND2 3.08Å; N142-L183 HydrophobicContact CB-CB 4.47Å; N142-L183 HydrophobicContact CB-CD1 4.02Å |
| 143 | K | 82.3 | Confident | 72.9 | Confident | 22 Ų | 22 | 27.9 Ų | 27.9 | 10% | 0.096 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.6 | -40.8 | 175.6 | -175.8 | 59.4 | 171.8 | 71.4 | 0 | 112.2 | M139 H140 F146 D147 L183 C242 K243 | M139-K143 WeakPolarHBondContact O-CB 3.43Å; M139-K143 PolarHBondContact O-N 2.78Å; H140-K143 PolarHBondContact O-N 3.13Å; K143-F146 HydrophobicContact CD-CD1 4.49Å; K143-F146 WeakPolarHBondContact O-CB 3.28Å; K143-F146 PolarHBondContact O-N 3.37Å; K143-D147 IonicContact NZ-OD1 3.79Å; K143-D147 PolarHBondContact NZ-OD1 2.63Å; K143-D147 IonicContact NZ-OD2 2.67Å; K143-D147 PolarHBondContact NZ-OD2 3.12Å; K143-D147 WeakPolarHBondContact O-CB 3.35Å; K143-D147 PolarHBondContact O-N 3.47Å; K143-L183 HydrophobicContact CB-CD1 3.91Å; K143-C242 HydrophobicContact CD-CB 4.09Å; K143-C242 WeakPolarHBondContact CD-O 3.41Å; K143-C242 VanDerWaalsContact CE-C 3.46Å; K143-C242 WeakPolarHBondContact CE-O 3.37Å; K143-K243 VanDerWaalsContact CE-CA 3.48Å |
| 144 | A | 73.5 | Confident | 74.8 | Confident | 28 Ų | 28 | 28.7 Ų | 28.7 | 23% | 0.231 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.9 | -32.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | R119 H140 M141 F146 D147 S148 | R119-A144 HydrophobicContact CG-CB 3.73Å; H140-A144 WeakPolarHBondContact O-CB 3.46Å; H140-A144 PolarHBondContact O-N 3Å; M141-A144 PolarHBondContact O-N 3.01Å; A144-F146 VanDerWaalsContact C-N 3.34Å; A144-D147 PolarHBondContact O-N 2.72Å; A144-S148 VanDerWaalsContact O-CB 3.27Å; A144-S148 WeakPolarHBondContact O-CB 3.43Å; A144-S148 PolarHBondContact O-N 3.37Å; A144-S148 PolarHBondContact O-OG 3.37Å |
| 145 | A | 74.4 | Confident | 76.5 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.9 | -27.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M141 N142 S148 R149 | M141-A145 WeakPolarHBondContact O-CB 3.31Å; M141-A145 PolarHBondContact O-N 2.85Å; N142-A145 PolarHBondContact O-N 3.18Å; A145-S148 PolarHBondContact O-OG 3.45Å; A145-R149 PolarHBondContact O-NH1 2.85Å |
| 146 | F | 88.3 | Confident | 78.2 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.2 | -54.9 | 167.3 | 173.2 | -82.6 | 0 | 0 | 0 | 110.2 | N142 K143 A144 S148 R149 L150 V176 A180 L238 C242 | N142-F146 VanDerWaalsContact O-CB 3.24Å; N142-F146 WeakPolarHBondContact O-CB 3.26Å; N142-F146 PolarHBondContact O-N 3Å; K143-F146 HydrophobicContact CD-CD1 4.49Å; K143-F146 WeakPolarHBondContact O-CB 3.28Å; K143-F146 PolarHBondContact O-N 3.37Å; A144-F146 VanDerWaalsContact C-N 3.34Å; F146-S148 PolarHBondContact O-N 3.17Å; F146-R149 PolarHBondContact O-N 2.74Å; F146-L150 HydrophobicContact CE1-CD1 3.89Å; F146-L150 HydrophobicContact CE1-CD2 3.93Å; F146-L150 HydrophobicContact CE1-CG 4.34Å; F146-L150 HydrophobicContact CZ-CD1 3.89Å; F146-L150 WeakPolarHBondContact O-CB 3.32Å; F146-L150 PolarHBondContact O-N 3.44Å; F146-V176 HydrophobicContact CD2-CG1 3.58Å; F146-V176 HydrophobicContact CE2-CG1 3.49Å; F146-V176 VanDerWaalsContact CE2-CG1 3.49Å; F146-V176 HydrophobicContact CG-CG1 4.42Å; F146-V176 HydrophobicContact CZ-CG1 4.27Å; F146-A180 HydrophobicContact CD2-CB 3.97Å; F146-A180 HydrophobicContact CE2-CB 4.01Å; F146-L238 HydrophobicContact CE2-CD2 3.79Å; F146-L238 HydrophobicContact CE2-CG 3.93Å; F146-L238 HydrophobicContact CZ-CD2 4.36Å; F146-L238 HydrophobicContact CZ-CG 4.16Å; F146-C242 HydrophobicContact CE1-CB 4.46Å; F146-C242 HydrophobicContact CZ-CB 4.44Å |
| 147 | D | 84.1 | Confident | 79.6 | Confident | 67 Ų | 67 | 28.8 Ų | 28.8 | 36% | 0.358 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.7 | -37.1 | -175.9 | -72.2 | -22.6 | 0 | 0 | 0 | 113.2 | K143 A144 R149 L150 | K143-D147 IonicContact NZ-OD1 3.79Å; K143-D147 PolarHBondContact NZ-OD1 2.63Å; K143-D147 IonicContact NZ-OD2 2.67Å; K143-D147 PolarHBondContact NZ-OD2 3.12Å; K143-D147 WeakPolarHBondContact O-CB 3.35Å; K143-D147 PolarHBondContact O-N 3.47Å; A144-D147 PolarHBondContact O-N 2.72Å; D147-R149 PolarHBondContact O-N 3.3Å; D147-L150 PolarHBondContact O-N 3.39Å |
| 148 | S | 81 | Confident | 81 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -32.8 | 179.7 | 70.6 | 0 | 0 | 0 | 0 | 112.3 | H115 A144 A145 F146 | H115-S148 PolarHBondContact CD2-O 2.74Å; A144-S148 VanDerWaalsContact O-CB 3.27Å; A144-S148 WeakPolarHBondContact O-CB 3.43Å; A144-S148 PolarHBondContact O-N 3.37Å; A144-S148 PolarHBondContact O-OG 3.37Å; A145-S148 PolarHBondContact O-OG 3.45Å; F146-S148 PolarHBondContact O-N 3.17Å |
| 149 | R | 86.3 | Confident | 81.8 | Confident | 20 Ų | 20 | 33.4 Ų | 33.4 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -93.7 | -25.4 | 179.5 | -64 | 177.8 | 178.3 | 102.4 | -3.9 | 113.5 | S112 H115 A145 F146 D147 Q151 F152 V153 V176 | S112-R149 PolarHBondContact OG-NH2 2.76Å; H115-R149 HydrophobicContact CB-CG 4.09Å; A145-R149 PolarHBondContact O-NH1 2.85Å; F146-R149 PolarHBondContact O-N 2.74Å; D147-R149 PolarHBondContact O-N 3.3Å; R149-Q151 VanDerWaalsContact C-N 3.32Å; R149-Q151 PolarHBondContact O-N 3.1Å; R149-F152 PolarHBondContact O-N 3.06Å; R149-F152 VanDerWaalsContact O-N 3.08Å; R149-V153 PolarHBondContact O-N 2.71Å; R149-V153 VanDerWaalsContact O-N 3.13Å; R149-V176 HydrophobicContact CB-CG2 3.46Å; R149-V176 VanDerWaalsContact CB-CG2 3.46Å |
| 150 | L | 89.8 | Confident | 81.9 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.5 | -43.6 | -173.5 | -177.9 | 69.5 | 0 | 0 | 0 | 113.6 | F146 D147 V153 S154 L235 S239 | F146-L150 HydrophobicContact CE1-CD1 3.89Å; F146-L150 HydrophobicContact CE1-CD2 3.93Å; F146-L150 HydrophobicContact CE1-CG 4.34Å; F146-L150 HydrophobicContact CZ-CD1 3.89Å; F146-L150 WeakPolarHBondContact O-CB 3.32Å; F146-L150 PolarHBondContact O-N 3.44Å; D147-L150 PolarHBondContact O-N 3.39Å; L150-V153 PolarHBondContact O-N 3.08Å; L150-S154 WeakPolarHBondContact O-CB 3.44Å; L150-S154 PolarHBondContact O-N 3.31Å; L150-S154 PolarHBondContact O-OG 3.45Å; L150-L235 HydrophobicContact CD1-CD1 4.24Å; L150-L235 HydrophobicContact CD1-CD2 3.86Å; L150-L235 HydrophobicContact CD1-CG 3.78Å; L150-S239 WeakPolarHBondContact CD2-OG 3.33Å |
| 151 | Q | 87.4 | Confident | 81.9 | Confident | 104 Ų | 104 | 38.6 Ų | 38.6 | 49% | 0.486 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 179.1 | -173.7 | 66.2 | 59.1 | 0 | 0 | 111.6 | R149 V153 S154 D155 | R149-Q151 VanDerWaalsContact C-N 3.32Å; R149-Q151 PolarHBondContact O-N 3.1Å; Q151-V153 VanDerWaalsContact C-N 3.3Å; Q151-V153 PolarHBondContact O-N 2.87Å; Q151-S154 WeakPolarHBondContact O-CB 3.48Å; Q151-S154 PolarHBondContact O-N 3.47Å; Q151-S154 VanDerWaalsContact O-N 3.09Å; Q151-D155 PolarHBondContact NE2-OD1 2.94Å; Q151-D155 PolarHBondContact O-N 3.49Å |
| 152 | F | 85.4 | Confident | 81.8 | Confident | 37 Ų | 37 | 36.6 Ų | 36.6 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -39.2 | 179.9 | -179.6 | -92.3 | 0 | 0 | 0 | 111.7 | R149 W156 V164 A168 A172 | R149-F152 PolarHBondContact O-N 3.06Å; R149-F152 VanDerWaalsContact O-N 3.08Å; F152-W156 WeakPolarHBondContact O-CB 3.16Å; F152-W156 PolarHBondContact O-N 3.5Å; F152-V164 HydrophobicContact CE1-CG1 4.36Å; F152-V164 HydrophobicContact CE2-CG1 3.88Å; F152-V164 HydrophobicContact CZ-CG1 3.67Å; F152-A168 HydrophobicContact CE1-CB 4.48Å; F152-A168 HydrophobicContact CZ-CB 4.23Å; F152-A172 HydrophobicContact CD1-CB 3.6Å; F152-A172 HydrophobicContact CE1-CB 3.8Å |
| 153 | V | 89.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | R149 L150 Q151 W156 I157 A172 L173 V176 L235 | R149-V153 PolarHBondContact O-N 2.71Å; R149-V153 VanDerWaalsContact O-N 3.13Å; L150-V153 PolarHBondContact O-N 3.08Å; Q151-V153 VanDerWaalsContact C-N 3.3Å; Q151-V153 PolarHBondContact O-N 2.87Å; V153-W156 PolarHBondContact O-N 2.78Å; V153-I157 HydrophobicContact CG1-CD1 3.87Å; V153-I157 WeakPolarHBondContact O-CD1 3.41Å; V153-I157 VanDerWaalsContact O-CG1 3.26Å; V153-I157 WeakPolarHBondContact O-CG1 3.26Å; V153-I157 PolarHBondContact O-N 3.27Å; V153-A172 HydrophobicContact CG2-CB 3.79Å; V153-L173 HydrophobicContact CG1-CB 4.04Å; V153-L173 HydrophobicContact CG1-CD1 3.71Å; V153-L173 HydrophobicContact CG1-CG 4.43Å; V153-L173 HydrophobicContact CG2-CB 4.36Å; V153-V176 HydrophobicContact CG2-CG2 3.89Å; V153-L235 HydrophobicContact CB-CD2 4.4Å; V153-L235 HydrophobicContact CG1-CD1 4.45Å; V153-L235 HydrophobicContact CG1-CD2 3.8Å |
| 154 | S | 90.4 | Very high | 79.7 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 176.7 | -57 | 0 | 0 | 0 | 0 | 111.6 | L150 Q151 W156 I157 S158 | L150-S154 WeakPolarHBondContact O-CB 3.44Å; L150-S154 PolarHBondContact O-N 3.31Å; L150-S154 PolarHBondContact O-OG 3.45Å; Q151-S154 WeakPolarHBondContact O-CB 3.48Å; Q151-S154 PolarHBondContact O-N 3.47Å; Q151-S154 VanDerWaalsContact O-N 3.09Å; S154-W156 PolarHBondContact O-N 3.34Å; S154-I157 PolarHBondContact O-N 3.15Å; S154-S158 PolarHBondContact O-N 2.64Å; S154-S158 PolarHBondContact O-OG 2.82Å |
| 155 | D | 86.6 | Confident | 79.3 | Confident | 79 Ų | 79 | 38.4 Ų | 38.4 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 176 | -60.9 | -18.3 | 0 | 0 | 0 | 110.9 | Q151 S158 D159 | Q151-D155 PolarHBondContact NE2-OD1 2.94Å; Q151-D155 PolarHBondContact O-N 3.49Å; D155-S158 PolarHBondContact O-N 3.36Å; D155-D159 PolarHBondContact O-N 2.93Å |
| 156 | W | 87.5 | Confident | 79.3 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -30.7 | 177.1 | 177.4 | 81 | 0 | 0 | 0 | 114.1 | F152 V153 S154 V164 A165 I211 R214 | F152-W156 WeakPolarHBondContact O-CB 3.16Å; F152-W156 PolarHBondContact O-N 3.5Å; V153-W156 PolarHBondContact O-N 2.78Å; S154-W156 PolarHBondContact O-N 3.34Å; W156-V164 HydrophobicContact CB-CG1 4.14Å; W156-V164 HydrophobicContact CG-CG1 4.42Å; W156-A165 PolarHBondContact NE1-O 2.88Å; W156-I211 HydrophobicContact CH2-CD1 4.14Å; W156-I211 HydrophobicContact CH2-CG1 3.82Å; W156-I211 HydrophobicContact CZ2-CG1 4.21Å; W156-R214 VanDerWaalsContact CZ2-NH1 3.29Å; W156-R214 PolarHBondContact O-NH1 3.03Å; W156-R214 PolarHBondContact O-NH2 2.96Å |
| 157 | I | 87.8 | Confident | 78.4 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.4 | -42.2 | 171.5 | -70.5 | 161.2 | 0 | 0 | 0 | 110 | V153 S154 D159 R214 A228 L231 L235 | V153-I157 HydrophobicContact CG1-CD1 3.87Å; V153-I157 WeakPolarHBondContact O-CD1 3.41Å; V153-I157 VanDerWaalsContact O-CG1 3.26Å; V153-I157 WeakPolarHBondContact O-CG1 3.26Å; V153-I157 PolarHBondContact O-N 3.27Å; S154-I157 PolarHBondContact O-N 3.15Å; I157-D159 PolarHBondContact O-N 3.09Å; I157-R214 PolarHBondContact O-NH2 2.91Å; I157-A228 HydrophobicContact CG2-CB 4.04Å; I157-A228 WeakPolarHBondContact CG2-O 3.19Å; I157-L231 HydrophobicContact CD1-CB 4.09Å; I157-L231 HydrophobicContact CG1-CB 4.41Å; I157-L231 HydrophobicContact CG2-CB 4.06Å; I157-L235 HydrophobicContact CD1-CD2 3.86Å |
| 158 | S | 85.2 | Confident | 77.8 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 59% | 0.594 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -70.8 | -24.4 | -178.8 | -64.9 | 0 | 0 | 0 | 0 | 114.7 | S154 D155 S160 | S154-S158 PolarHBondContact O-N 2.64Å; S154-S158 PolarHBondContact O-OG 2.82Å; D155-S158 PolarHBondContact O-N 3.36Å; S158-S160 PolarHBondContact O-N 2.94Å; S158-S160 VanDerWaalsContact O-N 3.16Å |
| 159 | D | 77.3 | Confident | 77.8 | Confident | 27 Ų | 27 | 37.7 Ų | 37.7 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | trans | -77.1 | 96.1 | 179.7 | -175.5 | -2.2 | 0 | 0 | 0 | 112.6 | D155 I157 N161 C162 S163 V164 R214 | D155-D159 PolarHBondContact O-N 2.93Å; I157-D159 PolarHBondContact O-N 3.09Å; D159-N161 VanDerWaalsContact C-N 3.28Å; D159-N161 PolarHBondContact O-N 3.07Å; D159-N161 PolarHBondContact OD1-N 2.95Å; D159-C162 PolarHBondContact O-N 3.44Å; D159-C162 PolarHBondContact OD1-N 3.29Å; D159-S163 VanDerWaalsContact OD2-CA 3.32Å; D159-S163 WeakPolarHBondContact OD2-CA 3.21Å; D159-S163 WeakPolarHBondContact OD2-CB 3.45Å; D159-S163 PolarHBondContact OD2-N 3Å; D159-S163 PolarHBondContact OD2-OG 3.48Å; D159-V164 PolarHBondContact OD2-N 2.98Å; D159-R214 PolarHBondContact O-NH2 3.22Å | ||
| 160 | S | 72.2 | Confident | 77.6 | Confident | 44 Ų | 44 | 38.2 Ų | 38.2 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -41.6 | 175 | -42.1 | 0 | 0 | 0 | 0 | 112.4 | S158 C162 N220 N225 | S158-S160 PolarHBondContact O-N 2.94Å; S158-S160 VanDerWaalsContact O-N 3.16Å; S160-C162 VanDerWaalsContact C-N 3.31Å; S160-C162 PolarHBondContact O-N 3.43Å; S160-N220 WeakPolarHBondContact CB-OD1 3.41Å; S160-N220 PolarHBondContact O-OD1 3.38Å; S160-N225 PolarHBondContact OG-OD1 2.95Å |
| 161 | N | 67.5 | Low | 77.1 | Confident | 126 Ų | 126 | 39 Ų | 39 | 67% | 0.674 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.1 | -171.6 | -68.9 | -42.8 | 0 | 0 | 0 | 113.9 | D159 S163 N220 | D159-N161 VanDerWaalsContact C-N 3.28Å; D159-N161 PolarHBondContact O-N 3.07Å; D159-N161 PolarHBondContact OD1-N 2.95Å; N161-S163 VanDerWaalsContact C-N 3.31Å; N161-S163 PolarHBondContact O-N 3.03Å; N161-N220 PolarHBondContact OD1-ND2 2.94Å |
| 162 | C | 64.9 | Low | 76.9 | Confident | 27 Ų | 27 | 34.3 Ų | 34.3 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | trans | 57.2 | 39 | 178.5 | -134.7 | 0 | 0 | 0 | 0 | 113.9 | D159 S160 V164 | D159-C162 PolarHBondContact O-N 3.44Å; D159-C162 PolarHBondContact OD1-N 3.29Å; S160-C162 VanDerWaalsContact C-N 3.31Å; S160-C162 PolarHBondContact O-N 3.43Å; C162-V164 VanDerWaalsContact C-N 3.27Å | ||
| 163 | S | 57.7 | Low | 77.2 | Confident | 82 Ų | 82 | 32.6 Ų | 32.6 | 57% | 0.573 | 20% | 0.196 | S | C | * | . | trans | -66.9 | -29.3 | 170.5 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | D159 N161 | D159-S163 VanDerWaalsContact OD2-CA 3.32Å; D159-S163 WeakPolarHBondContact OD2-CA 3.21Å; D159-S163 WeakPolarHBondContact OD2-CB 3.45Å; D159-S163 PolarHBondContact OD2-N 3Å; D159-S163 PolarHBondContact OD2-OG 3.48Å; N161-S163 VanDerWaalsContact C-N 3.31Å; N161-S163 PolarHBondContact O-N 3.03Å | ||
| 164 | V | 58 | Low | 77.1 | Confident | 29 Ų | 29 | 35 Ų | 35 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -79.3 | 120.1 | 163 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | F152 W156 D159 C162 M166 | F152-V164 HydrophobicContact CE1-CG1 4.36Å; F152-V164 HydrophobicContact CE2-CG1 3.88Å; F152-V164 HydrophobicContact CZ-CG1 3.67Å; W156-V164 HydrophobicContact CB-CG1 4.14Å; W156-V164 HydrophobicContact CG-CG1 4.42Å; D159-V164 PolarHBondContact OD2-N 2.98Å; C162-V164 VanDerWaalsContact C-N 3.27Å; V164-M166 PolarHBondContact O-N 2.69Å |
| 165 | A | 63.8 | Low | 76.9 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | trans | -43.9 | 130.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A19 E22 W156 A168 G169 | A19-A165 WeakPolarHBondContact O-CB 3.45Å; E22-A165 HydrophobicContact CB-CB 4.04Å; E22-A165 WeakPolarHBondContact OE2-CA 3.5Å; E22-A165 VanDerWaalsContact OE2-CB 3.29Å; E22-A165 WeakPolarHBondContact OE2-CB 3.4Å; W156-A165 PolarHBondContact NE1-O 2.88Å; A165-A168 HydrophobicContact CB-CB 3.85Å; A165-A168 PolarHBondContact O-N 3.28Å; A165-G169 PolarHBondContact O-N 3.47Å | ||
| 166 | M | 74.1 | Confident | 77.1 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 16% | 0.158 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -47.1 | -172.6 | -176.2 | -179.7 | 55 | 0 | 0 | 111.5 | E22 V164 G169 E170 R214 R215 | E22-M166 PolarHBondContact OE2-N 3.17Å; V164-M166 PolarHBondContact O-N 2.69Å; M166-G169 PolarHBondContact O-N 3.17Å; M166-E170 WeakPolarHBondContact O-CB 3.23Å; M166-E170 PolarHBondContact O-N 3.39Å; M166-R214 HydrophobicContact SD-CB 4.34Å; M166-R215 HydrophobicContact CE-CG 3.71Å; M166-R215 HydrophobicContact SD-CG 3.5Å; M166-R215 WeakPolarHBondContact SD-CG 3.45Å |
| 167 | T | 70.7 | Confident | 77.3 | Confident | 24 Ų | 24 | 32.5 Ų | 32.5 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.2 | -33.7 | 179.5 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | D104 K171 | D104-T167 PolarHBondContact OD1-OG1 3.34Å; T167-K171 PolarHBondContact O-N 3.05Å; T167-K171 VanDerWaalsContact O-N 3.08Å |
| 168 | A | 70.8 | Confident | 77.2 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.2 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F152 A165 A172 | F152-A168 HydrophobicContact CE1-CB 4.48Å; F152-A168 HydrophobicContact CZ-CB 4.23Å; A165-A168 HydrophobicContact CB-CB 3.85Å; A165-A168 PolarHBondContact O-N 3.28Å; A168-A172 WeakPolarHBondContact O-CB 3.43Å; A168-A172 PolarHBondContact O-N 3.47Å |
| 169 | G | 80.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A165 M166 A172 L173 | A165-G169 PolarHBondContact O-N 3.47Å; M166-G169 PolarHBondContact O-N 3.17Å; G169-A172 PolarHBondContact O-N 2.89Å; G169-L173 PolarHBondContact O-N 3.45Å |
| 170 | E | 82.7 | Confident | 77.8 | Confident | 30 Ų | 30 | 32 Ų | 32 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.6 | -50.1 | 173.6 | 175.1 | 172.9 | -173.9 | 0 | 0 | 111.7 | M166 L173 N174 I211 R215 | M166-E170 WeakPolarHBondContact O-CB 3.23Å; M166-E170 PolarHBondContact O-N 3.39Å; E170-L173 PolarHBondContact O-N 2.91Å; E170-N174 PolarHBondContact O-N 2.91Å; E170-N174 PolarHBondContact O-ND2 3.19Å; E170-I211 HydrophobicContact CB-CD1 3.9Å; E170-I211 HydrophobicContact CG-CD1 3.6Å; E170-R215 IonicContact OE1-NH2 3.84Å; E170-R215 PolarHBondContact OE1-NH2 3.46Å; E170-R215 IonicContact OE2-CZ 3.37Å; E170-R215 IonicContact OE2-NH2 3.76Å; E170-R215 PolarHBondContact OE2-NH2 3.23Å |
| 171 | K | 79.5 | Confident | 78.5 | Confident | 47 Ų | 47 | 32.5 Ų | 32.5 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69 | -35.6 | 176.9 | -77 | -164 | 165.8 | -158.3 | 0 | 113.3 | S108 T167 N174 Q175 E467 | S108-K171 VanDerWaalsContact CB-CD 3.41Å; S108-K171 WeakPolarHBondContact OG-CB 3.24Å; S108-K171 WeakPolarHBondContact OG-CD 3.38Å; T167-K171 PolarHBondContact O-N 3.05Å; T167-K171 VanDerWaalsContact O-N 3.08Å; K171-N174 PolarHBondContact O-N 3Å; K171-Q175 VanDerWaalsContact O-CG 3.31Å; K171-Q175 WeakPolarHBondContact O-CG 3.49Å; K171-Q175 PolarHBondContact O-N 3.13Å; K171-E467 IonicContact NZ-OE1 3.86Å; K171-E467 PolarHBondContact NZ-OE1 2.96Å; K171-E467 IonicContact NZ-OE2 3.35Å |
| 172 | A | 84 | Confident | 79.1 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | F152 V153 A168 G169 Q175 V176 | F152-A172 HydrophobicContact CD1-CB 3.6Å; F152-A172 HydrophobicContact CE1-CB 3.8Å; V153-A172 HydrophobicContact CG2-CB 3.79Å; A168-A172 WeakPolarHBondContact O-CB 3.43Å; A168-A172 PolarHBondContact O-N 3.47Å; G169-A172 PolarHBondContact O-N 2.89Å; A172-Q175 PolarHBondContact O-N 3.36Å; A172-V176 WeakPolarHBondContact O-CG2 3.46Å; A172-V176 PolarHBondContact O-N 3.36Å |
| 173 | L | 90.6 | Very high | 79.8 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 172.6 | 175.6 | 65.9 | 0 | 0 | 0 | 110.8 | V153 G169 E170 Q175 V176 L177 A207 L235 | V153-L173 HydrophobicContact CG1-CB 4.04Å; V153-L173 HydrophobicContact CG1-CD1 3.71Å; V153-L173 HydrophobicContact CG1-CG 4.43Å; V153-L173 HydrophobicContact CG2-CB 4.36Å; G169-L173 PolarHBondContact O-N 3.45Å; E170-L173 PolarHBondContact O-N 2.91Å; L173-Q175 PolarHBondContact O-N 3.01Å; L173-V176 CarbonylContact O-C 3.59Å; L173-V176 WeakPolarHBondContact O-CA 3.38Å; L173-V176 WeakPolarHBondContact O-CB 3.45Å; L173-V176 PolarHBondContact O-N 2.99Å; L173-L177 HydrophobicContact CD1-CD1 4.19Å; L173-L177 HydrophobicContact CD1-CD2 4.17Å; L173-L177 HydrophobicContact CD1-CG 3.95Å; L173-L177 HydrophobicContact CD2-CD1 4.5Å; L173-L177 HydrophobicContact CG-CD1 4.02Å; L173-L177 HydrophobicContact CG-CG 4.16Å; L173-L177 WeakPolarHBondContact O-CG 3.33Å; L173-L177 PolarHBondContact O-N 3.41Å; L173-A207 HydrophobicContact CD2-CB 3.19Å; L173-L235 HydrophobicContact CD1-CD1 4.17Å |
| 174 | N | 88.2 | Confident | 80.9 | Confident | 50 Ų | 50 | 25.2 Ų | 25.2 | 27% | 0.267 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.2 | -35.5 | 179.1 | -68 | -17.6 | 0 | 0 | 0 | 112 | E170 K171 N178 | E170-N174 PolarHBondContact O-N 2.91Å; E170-N174 PolarHBondContact O-ND2 3.19Å; K171-N174 PolarHBondContact O-N 3Å; N174-N178 WeakPolarHBondContact O-CB 3.42Å; N174-N178 PolarHBondContact O-N 3.15Å |
| 175 | Q | 84.8 | Confident | 81.7 | Confident | 43 Ų | 43 | 27.6 Ų | 27.6 | 20% | 0.201 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 172.1 | -71.2 | 173.2 | 5.7 | 0 | 0 | 112.9 | K171 A172 L173 S179 | K171-Q175 VanDerWaalsContact O-CG 3.31Å; K171-Q175 WeakPolarHBondContact O-CG 3.49Å; K171-Q175 PolarHBondContact O-N 3.13Å; A172-Q175 PolarHBondContact O-N 3.36Å; L173-Q175 PolarHBondContact O-N 3.01Å; Q175-S179 WeakPolarHBondContact O-CB 3.4Å; Q175-S179 PolarHBondContact O-N 3.36Å; Q175-S179 PolarHBondContact O-OG 3.34Å |
| 176 | V | 90.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 173.1 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | F146 R149 V153 A172 L173 S179 A180 L235 | F146-V176 HydrophobicContact CD2-CG1 3.58Å; F146-V176 HydrophobicContact CE2-CG1 3.49Å; F146-V176 VanDerWaalsContact CE2-CG1 3.49Å; F146-V176 HydrophobicContact CG-CG1 4.42Å; F146-V176 HydrophobicContact CZ-CG1 4.27Å; R149-V176 HydrophobicContact CB-CG2 3.46Å; R149-V176 VanDerWaalsContact CB-CG2 3.46Å; V153-V176 HydrophobicContact CG2-CG2 3.89Å; A172-V176 WeakPolarHBondContact O-CG2 3.46Å; A172-V176 PolarHBondContact O-N 3.36Å; L173-V176 CarbonylContact O-C 3.59Å; L173-V176 WeakPolarHBondContact O-CA 3.38Å; L173-V176 WeakPolarHBondContact O-CB 3.45Å; L173-V176 PolarHBondContact O-N 2.99Å; V176-S179 PolarHBondContact O-N 2.76Å; V176-A180 PolarHBondContact O-N 2.92Å; V176-L235 HydrophobicContact CG1-CD1 4.22Å |
| 177 | L | 92.4 | Very high | 81.5 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 178.2 | -62 | -177.7 | 0 | 0 | 0 | 111.9 | L173 A180 K181 C200 L203 N204 L238 | L173-L177 HydrophobicContact CD1-CD1 4.19Å; L173-L177 HydrophobicContact CD1-CD2 4.17Å; L173-L177 HydrophobicContact CD1-CG 3.95Å; L173-L177 HydrophobicContact CD2-CD1 4.5Å; L173-L177 HydrophobicContact CG-CD1 4.02Å; L173-L177 HydrophobicContact CG-CG 4.16Å; L173-L177 WeakPolarHBondContact O-CG 3.33Å; L173-L177 PolarHBondContact O-N 3.41Å; L177-A180 PolarHBondContact O-N 2.95Å; L177-K181 WeakPolarHBondContact O-CG 3.29Å; L177-K181 PolarHBondContact O-N 3.41Å; L177-C200 HydrophobicContact CB-CB 4.4Å; L177-C200 HydrophobicContact CD2-CB 4.08Å; L177-L203 HydrophobicContact CD1-CB 4.3Å; L177-L203 HydrophobicContact CD2-CB 3.85Å; L177-L203 HydrophobicContact CD2-CD1 3.86Å; L177-N204 HydrophobicContact CD1-CB 4.08Å; L177-L238 HydrophobicContact CD2-CD2 3.85Å |
| 178 | N | 86.6 | Confident | 81.2 | Confident | 93 Ų | 93 | 35.1 Ų | 35.1 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 174.3 | -73.6 | -8.6 | 0 | 0 | 0 | 112 | N174 A180 K181 N182 | N174-N178 WeakPolarHBondContact O-CB 3.42Å; N174-N178 PolarHBondContact O-N 3.15Å; N178-A180 VanDerWaalsContact C-N 3.32Å; N178-A180 PolarHBondContact O-N 2.99Å; N178-K181 PolarHBondContact O-N 3.14Å; N178-N182 WeakPolarHBondContact O-CB 3.44Å; N178-N182 PolarHBondContact O-N 3.03Å; N178-N182 PolarHBondContact O-OD1 2.89Å |
| 179 | S | 84.6 | Confident | 80.4 | Confident | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 175 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | Q175 V176 L183 | Q175-S179 WeakPolarHBondContact O-CB 3.4Å; Q175-S179 PolarHBondContact O-N 3.36Å; Q175-S179 PolarHBondContact O-OG 3.34Å; V176-S179 PolarHBondContact O-N 2.76Å; S179-L183 WeakPolarHBondContact O-CB 3.35Å; S179-L183 PolarHBondContact O-N 3.04Å |
| 180 | A | 89.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.2 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F146 V176 L177 N178 L183 A184 I196 L238 | F146-A180 HydrophobicContact CD2-CB 3.97Å; F146-A180 HydrophobicContact CE2-CB 4.01Å; V176-A180 PolarHBondContact O-N 2.92Å; L177-A180 PolarHBondContact O-N 2.95Å; N178-A180 VanDerWaalsContact C-N 3.32Å; N178-A180 PolarHBondContact O-N 2.99Å; A180-L183 WeakPolarHBondContact O-CB 3.37Å; A180-L183 PolarHBondContact O-N 2.99Å; A180-A184 PolarHBondContact O-N 3.45Å; A180-I196 HydrophobicContact CB-CG2 4.1Å; A180-I196 WeakPolarHBondContact O-CG2 3.3Å; A180-L238 HydrophobicContact CB-CD1 4.07Å; A180-L238 HydrophobicContact CB-CD2 4.05Å; A180-L238 HydrophobicContact CB-CG 4.29Å |
| 181 | K | 87.4 | Confident | 79.2 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 173.2 | -74.9 | -178.2 | 176.8 | -174 | 0 | 111.6 | L177 N178 A184 N185 C200 D201 | L177-K181 WeakPolarHBondContact O-CG 3.29Å; L177-K181 PolarHBondContact O-N 3.41Å; N178-K181 PolarHBondContact O-N 3.14Å; K181-A184 PolarHBondContact O-N 3.34Å; K181-N185 WeakPolarHBondContact O-CB 3.4Å; K181-N185 PolarHBondContact O-N 3.29Å; K181-N185 PolarHBondContact O-ND2 3.05Å; K181-N185 PolarHBondContact O-OD1 3.32Å; K181-C200 HydrophobicContact CD-CB 4.37Å; K181-C200 HydrophobicContact CG-CB 4.05Å; K181-D201 WeakPolarHBondContact CE-OD1 3.43Å; K181-D201 IonicContact NZ-OD1 2.64Å; K181-D201 PolarHBondContact NZ-OD1 3.42Å |
| 182 | N | 79.8 | Confident | 79 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 42% | 0.422 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 172.4 | -72 | -7.3 | 0 | 0 | 0 | 111.4 | N142 N178 A184 N185 L186 | N142-N182 WeakPolarHBondContact OD1-CB 3.43Å; N142-N182 PolarHBondContact OD1-ND2 3.08Å; N178-N182 WeakPolarHBondContact O-CB 3.44Å; N178-N182 PolarHBondContact O-N 3.03Å; N178-N182 PolarHBondContact O-OD1 2.89Å; N182-A184 VanDerWaalsContact C-N 3.3Å; N182-A184 PolarHBondContact O-N 3.41Å; N182-N185 PolarHBondContact O-N 3.04Å; N182-N185 VanDerWaalsContact O-N 3.1Å; N182-L186 WeakPolarHBondContact O-CG 3.41Å; N182-L186 PolarHBondContact O-N 3.27Å |
| 183 | L | 79.2 | Confident | 78.7 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.9 | -44.3 | 176.2 | -161.7 | 93.9 | 0 | 0 | 0 | 112.2 | M139 N142 K143 S179 A180 C242 L245 | M139-L183 HydrophobicContact CB-CD1 4.27Å; M139-L183 HydrophobicContact CG-CD1 3.58Å; M139-L183 HydrophobicContact CG-CG 4.11Å; M139-L183 WeakPolarHBondContact O-CD1 3.3Å; N142-L183 HydrophobicContact CB-CB 4.47Å; N142-L183 HydrophobicContact CB-CD1 4.02Å; K143-L183 HydrophobicContact CB-CD1 3.91Å; S179-L183 WeakPolarHBondContact O-CB 3.35Å; S179-L183 PolarHBondContact O-N 3.04Å; A180-L183 WeakPolarHBondContact O-CB 3.37Å; A180-L183 PolarHBondContact O-N 2.99Å; L183-C242 HydrophobicContact CD2-CB 3.68Å; L183-L245 HydrophobicContact CD2-CB 4.38Å; L183-L245 HydrophobicContact CD2-CD2 3.81Å; L183-L245 HydrophobicContact CG-CD2 3.99Å |
| 184 | A | 81.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A180 K181 N182 L186 N187 Q188 S193 I196 I197 | A180-A184 PolarHBondContact O-N 3.45Å; K181-A184 PolarHBondContact O-N 3.34Å; N182-A184 VanDerWaalsContact C-N 3.3Å; N182-A184 PolarHBondContact O-N 3.41Å; A184-L186 PolarHBondContact O-N 3.37Å; A184-N187 CarbonylContact O-C 3.33Å; A184-N187 PolarHBondContact O-N 3.22Å; A184-Q188 PolarHBondContact O-N 3.2Å; A184-S193 WeakPolarHBondContact O-CB 3.26Å; A184-S193 PolarHBondContact O-OG 2.9Å; A184-I196 HydrophobicContact CB-CB 4.08Å; A184-I196 HydrophobicContact CB-CG2 3.77Å; A184-I197 HydrophobicContact CB-CD1 4.23Å; A184-I197 HydrophobicContact CB-CG1 3.95Å |
| 185 | N | 74.9 | Confident | 78.3 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.7 | -17.9 | -180 | -71.6 | -18.4 | 0 | 0 | 0 | 113.9 | K181 N182 Q188 | K181-N185 WeakPolarHBondContact O-CB 3.4Å; K181-N185 PolarHBondContact O-N 3.29Å; K181-N185 PolarHBondContact O-ND2 3.05Å; K181-N185 PolarHBondContact O-OD1 3.32Å; N182-N185 PolarHBondContact O-N 3.04Å; N182-N185 VanDerWaalsContact O-N 3.1Å; N185-Q188 VanDerWaalsContact O-CG 3.24Å; N185-Q188 WeakPolarHBondContact O-CG 3.41Å; N185-Q188 PolarHBondContact O-NE2 3.05Å |
| 186 | L | 66.8 | Low | 78.6 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.6 | 170.9 | -58.5 | 171.6 | 0 | 0 | 0 | 112.5 | D135 A138 M139 N182 A184 R271 | D135-L186 WeakPolarHBondContact OD1-CD2 3.31Å; A138-L186 HydrophobicContact CB-CD1 3.93Å; M139-L186 HydrophobicContact CB-CD1 4.09Å; N182-L186 WeakPolarHBondContact O-CG 3.41Å; N182-L186 PolarHBondContact O-N 3.27Å; A184-L186 PolarHBondContact O-N 3.37Å; L186-R271 VanDerWaalsContact CD2-NH2 3.35Å |
| 187 | N | 66.1 | Low | 78.5 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | trans | -127.8 | 51.6 | -176.3 | -81.5 | -48.5 | 0 | 0 | 0 | 111.5 | M139 A184 T189 S190 S193 L245 | M139-N187 WeakPolarHBondContact CE-ND2 3.36Å; A184-N187 CarbonylContact O-C 3.33Å; A184-N187 PolarHBondContact O-N 3.22Å; N187-T189 PolarHBondContact O-N 3.42Å; N187-S190 PolarHBondContact O-N 3.28Å; N187-S193 VanDerWaalsContact O-CB 3.3Å; N187-S193 WeakPolarHBondContact O-CB 3.41Å; N187-S193 PolarHBondContact O-OG 3.49Å; N187-L245 HydrophobicContact CB-CD1 4.18Å; N187-L245 HydrophobicContact CB-CD2 4.43Å | ||
| 188 | Q | 65 | Low | 78.5 | Confident | 143 Ų | 143 | 58.1 Ų | 58.1 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.9 | -170.2 | -58.8 | 179.4 | 25.6 | 0 | 0 | 114.8 | A184 N185 | A184-Q188 PolarHBondContact O-N 3.2Å; N185-Q188 VanDerWaalsContact O-CG 3.24Å; N185-Q188 WeakPolarHBondContact O-CG 3.41Å; N185-Q188 PolarHBondContact O-NE2 3.05Å |
| 189 | T | 53.7 | Low | 78.9 | Confident | 140 Ų | 140 | 53.9 Ų | 53.9 | 86% | 0.859 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -19.9 | 176.9 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | N187 | N187-T189 PolarHBondContact O-N 3.42Š|
| 190 | S | 64.9 | Low | 79.4 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -79 | 146.1 | -174.3 | 103.1 | 0 | 0 | 0 | 0 | 113 | N187 N192 S193 L245 | N187-S190 PolarHBondContact O-N 3.28Å; S190-N192 VanDerWaalsContact C-N 3.3Å; S190-N192 PolarHBondContact O-N 3.25Å; S190-N192 PolarHBondContact OG-N 3.44Å; S190-S193 PolarHBondContact O-N 2.94Å; S190-S193 WeakPolarHBondContact OG-CB 3.49Å; S190-S193 PolarHBondContact OG-N 3.02Å; S190-S193 PolarHBondContact OG-OG 3.04Å; S190-L245 WeakPolarHBondContact OG-CD1 3.39Å |
| 191 | S | 72.1 | Confident | 79.5 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 69% | 0.685 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 171.5 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | S193 K194 A195 | S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.32Å; S191-K194 PolarHBondContact O-N 3.18Å; S191-A195 PolarHBondContact O-N 2.67Å; S191-A195 VanDerWaalsContact O-N 3.16Å |
| 192 | N | 75.4 | Confident | 79.9 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -35.2 | -178.9 | -65.3 | -6.6 | 0 | 0 | 0 | 111.7 | S190 K194 A195 I196 L245 | S190-N192 VanDerWaalsContact C-N 3.3Å; S190-N192 PolarHBondContact O-N 3.25Å; S190-N192 PolarHBondContact OG-N 3.44Å; N192-K194 PolarHBondContact O-N 3.15Å; N192-A195 PolarHBondContact O-N 2.97Å; N192-I196 WeakPolarHBondContact O-CB 3.19Å; N192-I196 VanDerWaalsContact O-CG1 3.24Å; N192-I196 WeakPolarHBondContact O-CG1 3.42Å; N192-I196 PolarHBondContact O-N 3.18Å; N192-L245 HydrophobicContact CB-CD1 4.03Å |
| 193 | S | 78.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | A184 N187 S190 S191 I196 I197 | A184-S193 WeakPolarHBondContact O-CB 3.26Å; A184-S193 PolarHBondContact O-OG 2.9Å; N187-S193 VanDerWaalsContact O-CB 3.3Å; N187-S193 WeakPolarHBondContact O-CB 3.41Å; N187-S193 PolarHBondContact O-OG 3.49Å; S190-S193 PolarHBondContact O-N 2.94Å; S190-S193 WeakPolarHBondContact OG-CB 3.49Å; S190-S193 PolarHBondContact OG-N 3.02Å; S190-S193 PolarHBondContact OG-OG 3.04Å; S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.32Å; S193-I196 PolarHBondContact O-N 3.32Å; S193-I197 WeakPolarHBondContact O-CG1 3.06Å; S193-I197 PolarHBondContact O-N 2.92Å; S193-I197 VanDerWaalsContact O-N 3.09Å |
| 194 | K | 82.3 | Confident | 81.2 | Confident | 149 Ų | 149 | 55.5 Ų | 55.5 | 65% | 0.648 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.8 | -39.3 | 175.4 | -66.1 | 178.2 | -178.7 | 174 | 0 | 111.6 | S191 N192 H198 | S191-K194 PolarHBondContact O-N 3.18Å; N192-K194 PolarHBondContact O-N 3.15Å; K194-H198 PolarHBondContact O-N 2.91Å |
| 195 | A | 89 | Confident | 81.8 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S191 N192 L199 L241 | S191-A195 PolarHBondContact O-N 2.67Å; S191-A195 VanDerWaalsContact O-N 3.16Å; N192-A195 PolarHBondContact O-N 2.97Å; A195-L199 WeakPolarHBondContact O-CB 3.34Å; A195-L199 PolarHBondContact O-N 3.46Å; A195-L241 HydrophobicContact CB-CD1 4.24Å |
| 196 | I | 89.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61 | -48.5 | 175.9 | -75.2 | 162.8 | 0 | 0 | 0 | 111 | A180 A184 N192 S193 L199 C200 L238 L241 L245 | A180-I196 HydrophobicContact CB-CG2 4.1Å; A180-I196 WeakPolarHBondContact O-CG2 3.3Å; A184-I196 HydrophobicContact CB-CB 4.08Å; A184-I196 HydrophobicContact CB-CG2 3.77Å; N192-I196 WeakPolarHBondContact O-CB 3.19Å; N192-I196 VanDerWaalsContact O-CG1 3.24Å; N192-I196 WeakPolarHBondContact O-CG1 3.42Å; N192-I196 PolarHBondContact O-N 3.18Å; S193-I196 PolarHBondContact O-N 3.32Å; I196-L199 PolarHBondContact O-N 3.2Å; I196-C200 PolarHBondContact O-N 2.83Å; I196-C200 PolarHBondContact O-SG 3Å; I196-L238 HydrophobicContact CB-CD1 4.41Å; I196-L238 HydrophobicContact CG1-CD1 4.32Å; I196-L238 HydrophobicContact CG2-CD1 3.98Å; I196-L241 HydrophobicContact CD1-CB 4.1Å; I196-L241 HydrophobicContact CG1-CB 3.69Å; I196-L241 HydrophobicContact CG1-CD1 4.3Å; I196-L245 HydrophobicContact CD1-CB 4.37Å; I196-L245 HydrophobicContact CD1-CD2 3.96Å |
| 197 | I | 89.7 | Confident | 83.8 | Confident | 58 Ų | 58 | 59 Ų | 59 | 30% | 0.297 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -52 | -179.5 | -67.7 | 166.4 | 0 | 0 | 0 | 110.4 | A184 S193 L199 C200 D201 | A184-I197 HydrophobicContact CB-CD1 4.23Å; A184-I197 HydrophobicContact CB-CG1 3.95Å; S193-I197 WeakPolarHBondContact O-CG1 3.06Å; S193-I197 PolarHBondContact O-N 2.92Å; S193-I197 VanDerWaalsContact O-N 3.09Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-L199 PolarHBondContact O-N 3.34Å; I197-C200 WeakPolarHBondContact O-CB 3.44Å; I197-C200 PolarHBondContact O-N 3.45Å; I197-C200 VanDerWaalsContact O-N 3.11Å; I197-D201 PolarHBondContact O-N 2.76Å; I197-D201 VanDerWaalsContact O-N 3.11Å |
| 198 | H | 92.2 | Very high | 85 | Confident | 121 Ų | 121 | 60.6 Ų | 60.6 | 56% | 0.56 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | 178.6 | -174.7 | -66.4 | 0 | 0 | 0 | 112.5 | K194 C200 D201 E202 | K194-H198 PolarHBondContact O-N 2.91Å; H198-C200 VanDerWaalsContact C-N 3.29Å; H198-C200 PolarHBondContact O-N 3.35Å; H198-D201 PolarHBondContact O-N 3.1Å; H198-E202 IonicContact CE1-OE1 3.68Å; H198-E202 PolarHBondContact O-N 3.44Å |
| 199 | L | 94.5 | Very high | 86.2 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.9 | -30.2 | 178.5 | -173.5 | 62.3 | 0 | 0 | 0 | 112.1 | A195 I196 I197 E202 L203 K234 Q237 L238 L241 | A195-L199 WeakPolarHBondContact O-CB 3.34Å; A195-L199 PolarHBondContact O-N 3.46Å; I196-L199 PolarHBondContact O-N 3.2Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-L199 PolarHBondContact O-N 3.34Å; L199-E202 WeakPolarHBondContact CD1-OE2 3.34Å; L199-L203 HydrophobicContact CG-CD1 4.29Å; L199-L203 VanDerWaalsContact O-CB 3.31Å; L199-L203 WeakPolarHBondContact O-CB 3.47Å; L199-L203 WeakPolarHBondContact O-CD1 3.34Å; L199-L203 VanDerWaalsContact O-CG 3.22Å; L199-L203 WeakPolarHBondContact O-CG 3.49Å; L199-L203 PolarHBondContact O-N 3.15Å; L199-K234 HydrophobicContact CD1-CB 4.02Å; L199-K234 HydrophobicContact CD1-CD 4.2Å; L199-K234 HydrophobicContact CD1-CG 4Å; L199-Q237 HydrophobicContact CD2-CB 4.08Å; L199-Q237 HydrophobicContact CD2-CG 3.81Å; L199-L238 HydrophobicContact CD2-CB 3.83Å; L199-L238 HydrophobicContact CD2-CD1 4.22Å; L199-L238 HydrophobicContact CG-CB 4.43Å; L199-L241 HydrophobicContact CD2-CD1 3.94Å |
| 200 | C | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 173.2 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | L177 K181 I196 I197 H198 L203 N204 | L177-C200 HydrophobicContact CB-CB 4.4Å; L177-C200 HydrophobicContact CD2-CB 4.08Å; K181-C200 HydrophobicContact CD-CB 4.37Å; K181-C200 HydrophobicContact CG-CB 4.05Å; I196-C200 PolarHBondContact O-N 2.83Å; I196-C200 PolarHBondContact O-SG 3Å; I197-C200 WeakPolarHBondContact O-CB 3.44Å; I197-C200 PolarHBondContact O-N 3.45Å; I197-C200 VanDerWaalsContact O-N 3.11Å; H198-C200 VanDerWaalsContact C-N 3.29Å; H198-C200 PolarHBondContact O-N 3.35Å; C200-L203 PolarHBondContact O-N 2.9Å; C200-N204 PolarHBondContact O-N 3.27Å; C200-N204 VanDerWaalsContact O-N 3.08Å |
| 201 | D | 92.7 | Very high | 88.9 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.1 | -46.1 | 176.2 | -65.4 | -37 | 0 | 0 | 0 | 111.1 | K181 I197 H198 L203 N204 D205 | K181-D201 WeakPolarHBondContact CE-OD1 3.43Å; K181-D201 IonicContact NZ-OD1 2.64Å; K181-D201 PolarHBondContact NZ-OD1 3.42Å; I197-D201 PolarHBondContact O-N 2.76Å; I197-D201 VanDerWaalsContact O-N 3.11Å; H198-D201 PolarHBondContact O-N 3.1Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact O-N 3.32Å; D201-N204 WeakPolarHBondContact O-CB 3.35Å; D201-N204 PolarHBondContact O-N 3.4Å; D201-D205 PolarHBondContact O-N 3.43Å; D201-D205 VanDerWaalsContact O-N 3.17Å |
| 202 | E | 94.7 | Very high | 89.6 | Confident | 59 Ų | 59 | 50.2 Ų | 50.2 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.3 | -45 | 171.6 | -70.9 | -176.5 | 138.5 | 0 | 0 | 112.5 | H198 L199 N204 D205 Y206 K234 | H198-E202 IonicContact CE1-OE1 3.68Å; H198-E202 PolarHBondContact O-N 3.44Å; L199-E202 WeakPolarHBondContact CD1-OE2 3.34Å; E202-N204 VanDerWaalsContact C-N 3.3Å; E202-N204 PolarHBondContact O-N 3.17Å; E202-D205 PolarHBondContact O-N 2.78Å; E202-Y206 WeakPolarHBondContact O-CD2 3.25Å; E202-Y206 PolarHBondContact O-N 2.74Å; E202-K234 VanDerWaalsContact CD-NZ 3.27Å; E202-K234 IonicContact OE1-NZ 2.67Å; E202-K234 PolarHBondContact OE1-NZ 3.04Å; E202-K234 IonicContact OE2-NZ 2.69Å; E202-K234 PolarHBondContact OE2-NZ 2.84Å |
| 203 | L | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -36.5 | 179.7 | -82.8 | 168.4 | 0 | 0 | 0 | 112.3 | L177 L199 C200 D201 A207 L231 K234 L235 L238 | L177-L203 HydrophobicContact CD1-CB 4.3Å; L177-L203 HydrophobicContact CD2-CB 3.85Å; L177-L203 HydrophobicContact CD2-CD1 3.86Å; L199-L203 HydrophobicContact CG-CD1 4.29Å; L199-L203 VanDerWaalsContact O-CB 3.31Å; L199-L203 WeakPolarHBondContact O-CB 3.47Å; L199-L203 WeakPolarHBondContact O-CD1 3.34Å; L199-L203 VanDerWaalsContact O-CG 3.22Å; L199-L203 WeakPolarHBondContact O-CG 3.49Å; L199-L203 PolarHBondContact O-N 3.15Å; C200-L203 PolarHBondContact O-N 2.9Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact O-N 3.32Å; L203-A207 WeakPolarHBondContact O-CB 3.48Å; L203-A207 PolarHBondContact O-N 3.04Å; L203-L231 HydrophobicContact CD2-CD2 3.79Å; L203-L231 WeakPolarHBondContact O-CD2 3.3Å; L203-K234 HydrophobicContact CD2-CB 3.52Å; L203-K234 HydrophobicContact CG-CB 4.05Å; L203-L235 HydrophobicContact CD1-CD1 4.38Å; L203-L238 HydrophobicContact CD1-CB 4.08Å; L203-L238 HydrophobicContact CD1-CD2 3.65Å; L203-L238 HydrophobicContact CD1-CG 4.43Å |
| 204 | N | 93.2 | Very high | 90.4 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.4 | 173 | 80.9 | 0 | 0 | 0 | 111.5 | L177 C200 D201 E202 A207 Q208 | L177-N204 HydrophobicContact CD1-CB 4.08Å; C200-N204 PolarHBondContact O-N 3.27Å; C200-N204 VanDerWaalsContact O-N 3.08Å; D201-N204 WeakPolarHBondContact O-CB 3.35Å; D201-N204 PolarHBondContact O-N 3.4Å; E202-N204 VanDerWaalsContact C-N 3.3Å; E202-N204 PolarHBondContact O-N 3.17Å; N204-A207 WeakPolarHBondContact O-CB 3.46Å; N204-A207 PolarHBondContact O-N 3.21Å; N204-A207 VanDerWaalsContact O-N 3.11Å; N204-Q208 WeakPolarHBondContact O-CG 3.48Å; N204-Q208 PolarHBondContact O-N 3.27Å |
| 205 | D | 92.9 | Very high | 90.3 | Very high | 102 Ų | 102 | 49.9 Ų | 49.9 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.3 | -41.2 | -176.5 | -68.2 | -6.5 | 0 | 0 | 0 | 112.3 | D201 E202 A207 S209 | D201-D205 PolarHBondContact O-N 3.43Å; D201-D205 VanDerWaalsContact O-N 3.17Å; E202-D205 PolarHBondContact O-N 2.78Å; D205-A207 VanDerWaalsContact C-N 3.31Å; D205-A207 PolarHBondContact O-N 3.29Å; D205-S209 WeakPolarHBondContact O-CB 3.23Å; D205-S209 PolarHBondContact O-N 3.05Å; D205-S209 VanDerWaalsContact O-N 3.08Å; D205-S209 PolarHBondContact O-OG 3.19Å |
| 206 | Y | 93.2 | Very high | 90 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 33% | 0.333 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -36 | 170.8 | -76.7 | -66.9 | 0 | 0 | 0 | 112.1 | E202 S209 L210 I227 T230 K234 | E202-Y206 WeakPolarHBondContact O-CD2 3.25Å; E202-Y206 PolarHBondContact O-N 2.74Å; Y206-S209 WeakPolarHBondContact O-CB 3.36Å; Y206-S209 PolarHBondContact O-N 2.93Å; Y206-L210 PolarHBondContact O-N 3.06Å; Y206-I227 HydrophobicContact CD1-CG2 4.25Å; Y206-I227 VanDerWaalsContact O-CG2 3.27Å; Y206-I227 WeakPolarHBondContact O-CG2 3.43Å; Y206-T230 HydrophobicContact CD1-CG2 4.35Å; Y206-T230 HydrophobicContact CD2-CG2 4.49Å; Y206-T230 HydrophobicContact CE1-CG2 4.03Å; Y206-T230 HydrophobicContact CE2-CG2 4.23Å; Y206-K234 HydrophobicContact CD2-CD 4.11Å; Y206-K234 HydrophobicContact CE2-CD 3.94Å |
| 207 | A | 90.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71 | -44.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L173 L203 N204 D205 S209 L210 I211 L231 | L173-A207 HydrophobicContact CD2-CB 3.19Å; L203-A207 WeakPolarHBondContact O-CB 3.48Å; L203-A207 PolarHBondContact O-N 3.04Å; N204-A207 WeakPolarHBondContact O-CB 3.46Å; N204-A207 PolarHBondContact O-N 3.21Å; N204-A207 VanDerWaalsContact O-N 3.11Å; D205-A207 VanDerWaalsContact C-N 3.31Å; D205-A207 PolarHBondContact O-N 3.29Å; A207-S209 PolarHBondContact O-N 3.43Å; A207-L210 PolarHBondContact O-N 3.26Å; A207-L210 VanDerWaalsContact O-N 3.12Å; A207-I211 WeakPolarHBondContact O-CB 3.39Å; A207-I211 WeakPolarHBondContact O-CD1 3.49Å; A207-I211 WeakPolarHBondContact O-CG1 3.11Å; A207-I211 PolarHBondContact O-N 3.46Å; A207-L231 HydrophobicContact CB-CD2 4.14Å |
| 208 | Q | 90.9 | Very high | 88.8 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.7 | -36.5 | 173.2 | -69 | -60 | -30 | 0 | 0 | 111.2 | N204 I211 H212 | N204-Q208 WeakPolarHBondContact O-CG 3.48Å; N204-Q208 PolarHBondContact O-N 3.27Å; Q208-I211 PolarHBondContact O-N 3.03Å; Q208-H212 WeakPolarHBondContact O-CB 3.26Å; Q208-H212 PolarHBondContact O-N 2.98Å |
| 209 | S | 90.8 | Very high | 87.7 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 172.3 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | D205 Y206 A207 H212 L213 | D205-S209 WeakPolarHBondContact O-CB 3.23Å; D205-S209 PolarHBondContact O-N 3.05Å; D205-S209 VanDerWaalsContact O-N 3.08Å; D205-S209 PolarHBondContact O-OG 3.19Å; Y206-S209 WeakPolarHBondContact O-CB 3.36Å; Y206-S209 PolarHBondContact O-N 2.93Å; A207-S209 PolarHBondContact O-N 3.43Å; S209-H212 PolarHBondContact O-N 3.41Å; S209-L213 PolarHBondContact O-N 2.98Å |
| 210 | L | 88.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.5 | -179.4 | 60.1 | 0 | 0 | 0 | 112.2 | Y206 A207 H212 L213 R214 A224 I227 A228 L231 | Y206-L210 PolarHBondContact O-N 3.06Å; A207-L210 PolarHBondContact O-N 3.26Å; A207-L210 VanDerWaalsContact O-N 3.12Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-L213 PolarHBondContact O-N 3.47Å; L210-R214 HydrophobicContact CD1-CG 4.39Å; L210-R214 WeakPolarHBondContact O-CB 3.23Å; L210-R214 WeakPolarHBondContact O-CG 3.44Å; L210-R214 PolarHBondContact O-N 3.1Å; L210-A224 HydrophobicContact CD1-CB 4.15Å; L210-I227 HydrophobicContact CB-CG2 3.9Å; L210-A228 HydrophobicContact CD1-CB 4.48Å; L210-A228 HydrophobicContact CD2-CB 4.21Å; L210-L231 HydrophobicContact CB-CD1 3.99Å; L210-L231 HydrophobicContact CD2-CD1 3.58Å; L210-L231 HydrophobicContact CG-CD1 4.42Å |
| 211 | I | 86.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.1 | -70 | 158.9 | 0 | 0 | 0 | 110 | W156 E170 A207 Q208 R214 R215 | W156-I211 HydrophobicContact CH2-CD1 4.14Å; W156-I211 HydrophobicContact CH2-CG1 3.82Å; W156-I211 HydrophobicContact CZ2-CG1 4.21Å; E170-I211 HydrophobicContact CB-CD1 3.9Å; E170-I211 HydrophobicContact CG-CD1 3.6Å; A207-I211 WeakPolarHBondContact O-CB 3.39Å; A207-I211 WeakPolarHBondContact O-CD1 3.49Å; A207-I211 WeakPolarHBondContact O-CG1 3.11Å; A207-I211 PolarHBondContact O-N 3.46Å; Q208-I211 PolarHBondContact O-N 3.03Å; I211-R214 PolarHBondContact O-N 3.43Å; I211-R215 HydrophobicContact CG2-CG 4.32Å; I211-R215 VanDerWaalsContact CG2-NE 3.26Å; I211-R215 WeakPolarHBondContact O-CB 3.44Å; I211-R215 VanDerWaalsContact O-CG 3.27Å; I211-R215 WeakPolarHBondContact O-CG 3.41Å; I211-R215 PolarHBondContact O-N 2.88Å |
| 212 | H | 87.3 | Confident | 85.8 | Confident | 131 Ų | 131 | 59.2 Ų | 59.2 | 61% | 0.606 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 174.4 | -175.7 | -91.8 | 0 | 0 | 0 | 112.4 | Q208 S209 L210 R215 S216 | Q208-H212 WeakPolarHBondContact O-CB 3.26Å; Q208-H212 PolarHBondContact O-N 2.98Å; S209-H212 PolarHBondContact O-N 3.41Å; L210-H212 VanDerWaalsContact C-N 3.34Å; H212-R215 PolarHBondContact O-N 2.96Å; H212-S216 WeakPolarHBondContact O-CB 3.16Å; H212-S216 PolarHBondContact O-N 3.08Å; H212-S216 PolarHBondContact O-OG 3.38Å |
| 213 | L | 85.7 | Confident | 85.5 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.6 | -72.5 | 171.4 | 0 | 0 | 0 | 112.6 | S209 L210 S216 G217 H218 G219 E223 A224 I227 | S209-L213 PolarHBondContact O-N 2.98Å; L210-L213 PolarHBondContact O-N 3.47Å; L213-S216 WeakPolarHBondContact CA-OG 3.48Å; L213-S216 PolarHBondContact O-OG 2.92Å; L213-G217 PolarHBondContact O-N 3.45Å; L213-H218 HydrophobicContact CD2-CB 4.19Å; L213-H218 CarbonylContact O-C 3.42Å; L213-H218 WeakPolarHBondContact O-CA 3.46Å; L213-H218 PolarHBondContact O-N 2.88Å; L213-G219 PolarHBondContact O-N 3.3Å; L213-E223 HydrophobicContact CD1-CB 4.46Å; L213-E223 HydrophobicContact CD1-CG 3.96Å; L213-A224 HydrophobicContact CB-CB 4.2Å; L213-A224 HydrophobicContact CD1-CB 4.01Å; L213-I227 HydrophobicContact CD1-CD1 3.76Å |
| 214 | R | 85.2 | Confident | 85.1 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.7 | -49.9 | 173.9 | -76.4 | 174.8 | 166.9 | 171.5 | -4.9 | 111.4 | W156 I157 D159 M166 L210 I211 S216 G217 | W156-R214 VanDerWaalsContact CZ2-NH1 3.29Å; W156-R214 PolarHBondContact O-NH1 3.03Å; W156-R214 PolarHBondContact O-NH2 2.96Å; I157-R214 PolarHBondContact O-NH2 2.91Å; D159-R214 PolarHBondContact O-NH2 3.22Å; M166-R214 HydrophobicContact SD-CB 4.34Å; L210-R214 HydrophobicContact CD1-CG 4.39Å; L210-R214 WeakPolarHBondContact O-CB 3.23Å; L210-R214 WeakPolarHBondContact O-CG 3.44Å; L210-R214 PolarHBondContact O-N 3.1Å; I211-R214 PolarHBondContact O-N 3.43Å; R214-S216 VanDerWaalsContact C-N 3.28Å; R214-S216 PolarHBondContact O-N 2.91Å; R214-G217 PolarHBondContact O-N 2.62Å |
| 215 | R | 80.2 | Confident | 84.9 | Confident | 141 Ų | 141 | 62.4 Ų | 62.4 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.7 | -31.4 | 177.7 | -71.7 | 178.3 | -172.5 | 170.2 | 8 | 113.4 | M166 E170 I211 H212 G217 | M166-R215 HydrophobicContact CE-CG 3.71Å; M166-R215 HydrophobicContact SD-CG 3.5Å; M166-R215 WeakPolarHBondContact SD-CG 3.45Å; E170-R215 IonicContact OE1-NH2 3.84Å; E170-R215 PolarHBondContact OE1-NH2 3.46Å; E170-R215 IonicContact OE2-CZ 3.37Å; E170-R215 IonicContact OE2-NH2 3.76Å; E170-R215 PolarHBondContact OE2-NH2 3.23Å; I211-R215 HydrophobicContact CG2-CG 4.32Å; I211-R215 VanDerWaalsContact CG2-NE 3.26Å; I211-R215 WeakPolarHBondContact O-CB 3.44Å; I211-R215 VanDerWaalsContact O-CG 3.27Å; I211-R215 WeakPolarHBondContact O-CG 3.41Å; I211-R215 PolarHBondContact O-N 2.88Å; H212-R215 PolarHBondContact O-N 2.96Å; R215-G217 VanDerWaalsContact C-N 3.3Å; R215-G217 PolarHBondContact O-N 3.46Å |
| 216 | S | 81.9 | Confident | 84.8 | Confident | 54 Ų | 54 | 63.7 Ų | 63.7 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 11.8 | 175.4 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | H212 L213 R214 H218 | H212-S216 WeakPolarHBondContact O-CB 3.16Å; H212-S216 PolarHBondContact O-N 3.08Å; H212-S216 PolarHBondContact O-OG 3.38Å; L213-S216 WeakPolarHBondContact CA-OG 3.48Å; L213-S216 PolarHBondContact O-OG 2.92Å; R214-S216 VanDerWaalsContact C-N 3.28Å; R214-S216 PolarHBondContact O-N 2.91Å; S216-H218 PolarHBondContact O-N 2.97Å; S216-H218 PolarHBondContact O-ND1 2.93Å |
| 217 | G | 76.2 | Confident | 84.8 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 2.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L213 R214 R215 | L213-G217 PolarHBondContact O-N 3.45Å; R214-G217 PolarHBondContact O-N 2.62Å; R215-G217 VanDerWaalsContact C-N 3.3Å; R215-G217 PolarHBondContact O-N 3.46Å |
| 218 | H | 78.5 | Confident | 84.8 | Confident | 123 Ų | 123 | 60.9 Ų | 60.9 | 57% | 0.569 | 34% | 0.338 | S | S | * | . | trans | -96.2 | 13.8 | -178 | -69.5 | 75.4 | 0 | 0 | 0 | 113 | L213 S216 N220 G221 A224 | L213-H218 HydrophobicContact CD2-CB 4.19Å; L213-H218 CarbonylContact O-C 3.42Å; L213-H218 WeakPolarHBondContact O-CA 3.46Å; L213-H218 PolarHBondContact O-N 2.88Å; S216-H218 PolarHBondContact O-N 2.97Å; S216-H218 PolarHBondContact O-ND1 2.93Å; H218-N220 PolarHBondContact O-N 3.21Å; H218-N220 VanDerWaalsContact O-N 3.1Å; H218-G221 PolarHBondContact O-N 3.13Å; H218-A224 WeakPolarHBondContact O-CB 3.32Å | ||
| 219 | G | 69.4 | Low | 84.8 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L213 A224 | L213-G219 PolarHBondContact O-N 3.3Å; G219-A224 VanDerWaalsContact O-CB 3.23Å; G219-A224 WeakPolarHBondContact O-CB 3.36Å |
| 220 | N | 75.4 | Confident | 85 | Confident | 95 Ų | 95 | 61.2 Ų | 61.2 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.9 | 174.8 | -74.5 | -6.1 | 0 | 0 | 0 | 113.8 | S160 N161 H218 N225 | S160-N220 WeakPolarHBondContact CB-OD1 3.41Å; S160-N220 PolarHBondContact O-OD1 3.38Å; N161-N220 PolarHBondContact OD1-ND2 2.94Å; H218-N220 PolarHBondContact O-N 3.21Å; H218-N220 VanDerWaalsContact O-N 3.1Å; N220-N225 PolarHBondContact O-ND2 2.95Å |
| 221 | G | 81 | Confident | 85.2 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -69 | 161.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H218 E223 A224 N225 | H218-G221 PolarHBondContact O-N 3.13Å; G221-E223 VanDerWaalsContact C-N 3.27Å; G221-E223 PolarHBondContact O-N 3Å; G221-A224 PolarHBondContact O-N 3.32Å; G221-N225 PolarHBondContact O-N 3.09Å; G221-N225 PolarHBondContact O-ND2 3.26Å |
| 222 | S | 85.9 | Confident | 85.6 | Confident | 112 Ų | 112 | 62.4 Ų | 62.4 | 78% | 0.783 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.6 | -37.9 | 175.5 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | H226 | S222-H226 WeakPolarHBondContact O-CB 3.45Å; S222-H226 PolarHBondContact O-N 3.27Å |
| 223 | E | 88.4 | Confident | 85.9 | Confident | 124 Ų | 124 | 60.8 Ų | 60.8 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.5 | -49.2 | 175 | -174 | 178.3 | -170.6 | 0 | 0 | 112.2 | L213 G221 N225 H226 I227 | L213-E223 HydrophobicContact CD1-CB 4.46Å; L213-E223 HydrophobicContact CD1-CG 3.96Å; G221-E223 VanDerWaalsContact C-N 3.27Å; G221-E223 PolarHBondContact O-N 3Å; E223-N225 VanDerWaalsContact C-N 3.34Å; E223-N225 PolarHBondContact O-N 2.71Å; E223-H226 WeakPolarHBondContact O-CB 3.48Å; E223-H226 PolarHBondContact O-N 3.35Å; E223-H226 VanDerWaalsContact O-N 3.07Å; E223-I227 HydrophobicContact CG-CD1 4.26Å; E223-I227 WeakPolarHBondContact O-CG1 3.28Å; E223-I227 PolarHBondContact O-N 3.4Å |
| 224 | A | 86.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L210 L213 H218 G219 G221 H226 I227 A228 | L210-A224 HydrophobicContact CD1-CB 4.15Å; L213-A224 HydrophobicContact CB-CB 4.2Å; L213-A224 HydrophobicContact CD1-CB 4.01Å; H218-A224 WeakPolarHBondContact O-CB 3.32Å; G219-A224 VanDerWaalsContact O-CB 3.23Å; G219-A224 WeakPolarHBondContact O-CB 3.36Å; G221-A224 PolarHBondContact O-N 3.32Å; A224-H226 VanDerWaalsContact C-N 3.35Å; A224-H226 PolarHBondContact O-N 3.03Å; A224-I227 PolarHBondContact O-N 3.43Å; A224-A228 WeakPolarHBondContact O-CB 3.47Å; A224-A228 PolarHBondContact O-N 2.68Å |
| 225 | N | 88.1 | Confident | 86.8 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -34 | 173.6 | -74.6 | -69.7 | 0 | 0 | 0 | 112.5 | S160 N220 G221 E223 N229 | S160-N225 PolarHBondContact OG-OD1 2.95Å; N220-N225 PolarHBondContact O-ND2 2.95Å; G221-N225 PolarHBondContact O-N 3.09Å; G221-N225 PolarHBondContact O-ND2 3.26Å; E223-N225 VanDerWaalsContact C-N 3.34Å; E223-N225 PolarHBondContact O-N 2.71Å; N225-N229 WeakPolarHBondContact O-CB 3.45Å; N225-N229 PolarHBondContact O-N 3.44Å; N225-N229 PolarHBondContact O-ND2 2.81Å |
| 226 | H | 91 | Very high | 87.4 | Confident | 128 Ų | 128 | 57.5 Ų | 57.5 | 59% | 0.593 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 174.9 | -179 | 56.4 | 0 | 0 | 0 | 111.9 | S222 E223 A224 N229 T230 | S222-H226 WeakPolarHBondContact O-CB 3.45Å; S222-H226 PolarHBondContact O-N 3.27Å; E223-H226 WeakPolarHBondContact O-CB 3.48Å; E223-H226 PolarHBondContact O-N 3.35Å; E223-H226 VanDerWaalsContact O-N 3.07Å; A224-H226 VanDerWaalsContact C-N 3.35Å; A224-H226 PolarHBondContact O-N 3.03Å; H226-N229 PolarHBondContact O-N 3.48Å; H226-T230 WeakPolarHBondContact O-CB 3.34Å; H226-T230 PolarHBondContact O-N 3.12Å; H226-T230 PolarHBondContact O-OG1 3Å |
| 227 | I | 92.2 | Very high | 88 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175 | -66.4 | 170.6 | 0 | 0 | 0 | 110.7 | Y206 L210 L213 E223 A224 N229 T230 L231 | Y206-I227 HydrophobicContact CD1-CG2 4.25Å; Y206-I227 VanDerWaalsContact O-CG2 3.27Å; Y206-I227 WeakPolarHBondContact O-CG2 3.43Å; L210-I227 HydrophobicContact CB-CG2 3.9Å; L213-I227 HydrophobicContact CD1-CD1 3.76Å; E223-I227 HydrophobicContact CG-CD1 4.26Å; E223-I227 WeakPolarHBondContact O-CG1 3.28Å; E223-I227 PolarHBondContact O-N 3.4Å; A224-I227 PolarHBondContact O-N 3.43Å; I227-N229 PolarHBondContact O-N 2.96Å; I227-T230 WeakPolarHBondContact O-CB 3.47Å; I227-T230 PolarHBondContact O-N 3.38Å; I227-T230 VanDerWaalsContact O-N 3.16Å; I227-L231 HydrophobicContact CG2-CD1 3.99Å; I227-L231 HydrophobicContact CG2-CG 4.42Å; I227-L231 WeakPolarHBondContact O-CB 3.44Å; I227-L231 WeakPolarHBondContact O-CG 3.48Å; I227-L231 PolarHBondContact O-N 3.49Å |
| 228 | A | 90.9 | Very high | 88.9 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I157 L210 A224 T230 L231 S232 | I157-A228 HydrophobicContact CG2-CB 4.04Å; I157-A228 WeakPolarHBondContact CG2-O 3.19Å; L210-A228 HydrophobicContact CD1-CB 4.48Å; L210-A228 HydrophobicContact CD2-CB 4.21Å; A224-A228 WeakPolarHBondContact O-CB 3.47Å; A224-A228 PolarHBondContact O-N 2.68Å; A228-T230 VanDerWaalsContact C-N 3.33Å; A228-T230 PolarHBondContact O-N 3.06Å; A228-L231 PolarHBondContact O-N 3.04Å; A228-S232 WeakPolarHBondContact O-CB 3.36Å; A228-S232 PolarHBondContact O-N 2.9Å |
| 229 | N | 92.1 | Very high | 89.5 | Confident | 106 Ų | 106 | 51.7 Ų | 51.7 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 173.5 | -77.2 | -53.4 | 0 | 0 | 0 | 112.1 | N225 H226 I227 S232 T233 | N225-N229 WeakPolarHBondContact O-CB 3.45Å; N225-N229 PolarHBondContact O-N 3.44Å; N225-N229 PolarHBondContact O-ND2 2.81Å; H226-N229 PolarHBondContact O-N 3.48Å; I227-N229 PolarHBondContact O-N 2.96Å; N229-S232 PolarHBondContact O-N 3.13Å; N229-T233 PolarHBondContact O-N 3.21Å; N229-T233 PolarHBondContact O-OG1 3.38Å |
| 230 | T | 93.9 | Very high | 90.5 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 177.9 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | Y206 H226 I227 A228 T233 K234 | Y206-T230 HydrophobicContact CD1-CG2 4.35Å; Y206-T230 HydrophobicContact CD2-CG2 4.49Å; Y206-T230 HydrophobicContact CE1-CG2 4.03Å; Y206-T230 HydrophobicContact CE2-CG2 4.23Å; H226-T230 WeakPolarHBondContact O-CB 3.34Å; H226-T230 PolarHBondContact O-N 3.12Å; H226-T230 PolarHBondContact O-OG1 3Å; I227-T230 WeakPolarHBondContact O-CB 3.47Å; I227-T230 PolarHBondContact O-N 3.38Å; I227-T230 VanDerWaalsContact O-N 3.16Å; A228-T230 VanDerWaalsContact C-N 3.33Å; A228-T230 PolarHBondContact O-N 3.06Å; T230-T233 PolarHBondContact O-N 3.17Å; T230-K234 HydrophobicContact CG2-CD 4.33Å; T230-K234 PolarHBondContact O-N 3.32Å |
| 231 | L | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.4 | -51.3 | 171.8 | -80.6 | 164.8 | 0 | 0 | 0 | 111.4 | I157 L203 A207 L210 I227 A228 T233 K234 L235 | I157-L231 HydrophobicContact CD1-CB 4.09Å; I157-L231 HydrophobicContact CG1-CB 4.41Å; I157-L231 HydrophobicContact CG2-CB 4.06Å; L203-L231 HydrophobicContact CD2-CD2 3.79Å; L203-L231 WeakPolarHBondContact O-CD2 3.3Å; A207-L231 HydrophobicContact CB-CD2 4.14Å; L210-L231 HydrophobicContact CB-CD1 3.99Å; L210-L231 HydrophobicContact CD2-CD1 3.58Å; L210-L231 HydrophobicContact CG-CD1 4.42Å; I227-L231 HydrophobicContact CG2-CD1 3.99Å; I227-L231 HydrophobicContact CG2-CG 4.42Å; I227-L231 WeakPolarHBondContact O-CB 3.44Å; I227-L231 WeakPolarHBondContact O-CG 3.48Å; I227-L231 PolarHBondContact O-N 3.49Å; A228-L231 PolarHBondContact O-N 3.04Å; L231-T233 VanDerWaalsContact C-N 3.29Å; L231-T233 PolarHBondContact O-N 3.49Å; L231-K234 PolarHBondContact O-N 2.84Å; L231-L235 WeakPolarHBondContact O-CB 3.42Å; L231-L235 PolarHBondContact O-N 3.31Å |
| 232 | S | 93.8 | Very high | 91.5 | Very high | 29 Ų | 29 | 54.8 Ų | 54.8 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 178.9 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | A228 N229 L235 N236 | A228-S232 WeakPolarHBondContact O-CB 3.36Å; A228-S232 PolarHBondContact O-N 2.9Å; N229-S232 PolarHBondContact O-N 3.13Å; S232-L235 PolarHBondContact O-N 3.02Å; S232-N236 WeakPolarHBondContact O-CB 3.48Å; S232-N236 PolarHBondContact O-N 3.45Å; S232-N236 PolarHBondContact O-ND2 3.31Å |
| 233 | T | 94.4 | Very high | 91.4 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 60% | 0.595 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.6 | -46.6 | 177.4 | -47.8 | 0 | 0 | 0 | 0 | 111.8 | N229 T230 L231 N236 Q237 | N229-T233 PolarHBondContact O-N 3.21Å; N229-T233 PolarHBondContact O-OG1 3.38Å; T230-T233 PolarHBondContact O-N 3.17Å; L231-T233 VanDerWaalsContact C-N 3.29Å; L231-T233 PolarHBondContact O-N 3.49Å; T233-N236 PolarHBondContact O-N 2.98Å; T233-Q237 PolarHBondContact O-N 3.45Å |
| 234 | K | 95.1 | Very high | 91 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.7 | -32.7 | 177.9 | -77.3 | 180 | 174.9 | -78.1 | 0 | 112.9 | L199 E202 L203 Y206 T230 L231 Q237 L238 | L199-K234 HydrophobicContact CD1-CB 4.02Å; L199-K234 HydrophobicContact CD1-CD 4.2Å; L199-K234 HydrophobicContact CD1-CG 4Å; E202-K234 VanDerWaalsContact CD-NZ 3.27Å; E202-K234 IonicContact OE1-NZ 2.67Å; E202-K234 PolarHBondContact OE1-NZ 3.04Å; E202-K234 IonicContact OE2-NZ 2.69Å; E202-K234 PolarHBondContact OE2-NZ 2.84Å; L203-K234 HydrophobicContact CD2-CB 3.52Å; L203-K234 HydrophobicContact CG-CB 4.05Å; Y206-K234 HydrophobicContact CD2-CD 4.11Å; Y206-K234 HydrophobicContact CE2-CD 3.94Å; T230-K234 HydrophobicContact CG2-CD 4.33Å; T230-K234 PolarHBondContact O-N 3.32Å; L231-K234 PolarHBondContact O-N 2.84Å; K234-Q237 WeakPolarHBondContact O-CB 3.18Å; K234-Q237 PolarHBondContact O-N 3.43Å; K234-L238 PolarHBondContact O-N 3.34Å |
| 235 | L | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68 | -38.8 | 175.1 | -167 | 75.7 | 0 | 0 | 0 | 111.1 | L150 V153 I157 L173 V176 L203 L231 S232 L238 S239 | L150-L235 HydrophobicContact CD1-CD1 4.24Å; L150-L235 HydrophobicContact CD1-CD2 3.86Å; L150-L235 HydrophobicContact CD1-CG 3.78Å; V153-L235 HydrophobicContact CB-CD2 4.4Å; V153-L235 HydrophobicContact CG1-CD1 4.45Å; V153-L235 HydrophobicContact CG1-CD2 3.8Å; I157-L235 HydrophobicContact CD1-CD2 3.86Å; L173-L235 HydrophobicContact CD1-CD1 4.17Å; V176-L235 HydrophobicContact CG1-CD1 4.22Å; L203-L235 HydrophobicContact CD1-CD1 4.38Å; L231-L235 WeakPolarHBondContact O-CB 3.42Å; L231-L235 PolarHBondContact O-N 3.31Å; S232-L235 PolarHBondContact O-N 3.02Å; L235-L238 PolarHBondContact O-N 3Å; L235-S239 WeakPolarHBondContact O-CB 3.4Å; L235-S239 PolarHBondContact O-N 3.36Å |
| 236 | N | 93.1 | Very high | 89.7 | Confident | 80 Ų | 80 | 50.4 Ų | 50.4 | 43% | 0.428 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 170.7 | -84 | -81 | 0 | 0 | 0 | 112.3 | S232 T233 S239 R240 | S232-N236 WeakPolarHBondContact O-CB 3.48Å; S232-N236 PolarHBondContact O-N 3.45Å; S232-N236 PolarHBondContact O-ND2 3.31Å; T233-N236 PolarHBondContact O-N 2.98Å; N236-S239 PolarHBondContact O-N 3.38Å; N236-R240 WeakPolarHBondContact O-CG 3.36Å; N236-R240 PolarHBondContact O-N 3.39Å; N236-R240 VanDerWaalsContact O-N 3.12Å |
| 237 | Q | 94 | Very high | 88.4 | Confident | 99 Ų | 99 | 49.6 Ų | 49.6 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 172 | -177.2 | -176.9 | -5.9 | 0 | 0 | 111.6 | L199 T233 K234 S239 R240 L241 | L199-Q237 HydrophobicContact CD2-CB 4.08Å; L199-Q237 HydrophobicContact CD2-CG 3.81Å; T233-Q237 PolarHBondContact O-N 3.45Å; K234-Q237 WeakPolarHBondContact O-CB 3.18Å; K234-Q237 PolarHBondContact O-N 3.43Å; Q237-S239 VanDerWaalsContact C-N 3.34Å; Q237-S239 PolarHBondContact O-N 2.95Å; Q237-R240 PolarHBondContact O-N 3.19Å; Q237-L241 HydrophobicContact CG-CD1 4.48Å; Q237-L241 PolarHBondContact O-N 3.33Å |
| 238 | L | 94.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 175.8 | -176.6 | 65.1 | 0 | 0 | 0 | 111.3 | F146 L177 A180 I196 L199 L203 K234 L235 R240 L241 C242 | F146-L238 HydrophobicContact CE2-CD2 3.79Å; F146-L238 HydrophobicContact CE2-CG 3.93Å; F146-L238 HydrophobicContact CZ-CD2 4.36Å; F146-L238 HydrophobicContact CZ-CG 4.16Å; L177-L238 HydrophobicContact CD2-CD2 3.85Å; A180-L238 HydrophobicContact CB-CD1 4.07Å; A180-L238 HydrophobicContact CB-CD2 4.05Å; A180-L238 HydrophobicContact CB-CG 4.29Å; I196-L238 HydrophobicContact CB-CD1 4.41Å; I196-L238 HydrophobicContact CG1-CD1 4.32Å; I196-L238 HydrophobicContact CG2-CD1 3.98Å; L199-L238 HydrophobicContact CD2-CB 3.83Å; L199-L238 HydrophobicContact CD2-CD1 4.22Å; L199-L238 HydrophobicContact CG-CB 4.43Å; L203-L238 HydrophobicContact CD1-CB 4.08Å; L203-L238 HydrophobicContact CD1-CD2 3.65Å; L203-L238 HydrophobicContact CD1-CG 4.43Å; K234-L238 PolarHBondContact O-N 3.34Å; L235-L238 PolarHBondContact O-N 3Å; L238-R240 VanDerWaalsContact C-N 3.27Å; L238-R240 PolarHBondContact O-N 3.01Å; L238-L241 PolarHBondContact O-N 3.21Å; L238-C242 WeakPolarHBondContact O-CB 3.42Å; L238-C242 PolarHBondContact O-N 2.83Å; L238-C242 PolarHBondContact O-SG 2.96Å |
| 239 | S | 92.6 | Very high | 84.2 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -30.6 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 113.3 | L150 L235 N236 Q237 K243 | L150-S239 WeakPolarHBondContact CD2-OG 3.33Å; L235-S239 WeakPolarHBondContact O-CB 3.4Å; L235-S239 PolarHBondContact O-N 3.36Å; N236-S239 PolarHBondContact O-N 3.38Å; Q237-S239 VanDerWaalsContact C-N 3.34Å; Q237-S239 PolarHBondContact O-N 2.95Å; S239-K243 WeakPolarHBondContact O-CB 3.48Å; S239-K243 PolarHBondContact O-N 2.69Å |
| 240 | R | 90.4 | Very high | 81.4 | Confident | 171 Ų | 171 | 56.8 Ų | 56.8 | 65% | 0.645 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.3 | -57.8 | 171.3 | -70 | 173.5 | -168.1 | 176.5 | 3.6 | 110 | N236 Q237 L238 C242 K243 D244 | N236-R240 WeakPolarHBondContact O-CG 3.36Å; N236-R240 PolarHBondContact O-N 3.39Å; N236-R240 VanDerWaalsContact O-N 3.12Å; Q237-R240 PolarHBondContact O-N 3.19Å; L238-R240 VanDerWaalsContact C-N 3.27Å; L238-R240 PolarHBondContact O-N 3.01Å; R240-C242 PolarHBondContact O-N 2.74Å; R240-C242 VanDerWaalsContact O-N 3.09Å; R240-K243 CarbonylContact O-C 3.51Å; R240-K243 VanDerWaalsContact O-CA 3.32Å; R240-K243 WeakPolarHBondContact O-CA 3.44Å; R240-K243 WeakPolarHBondContact O-CB 3.26Å; R240-K243 PolarHBondContact O-N 3.29Å; R240-D244 PolarHBondContact O-N 2.97Å |
| 241 | L | 88.6 | Confident | 78.5 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -52.9 | -39.8 | 179.2 | -67.6 | 172.7 | 0 | 0 | 0 | 113.1 | A195 I196 L199 Q237 L238 D244 L245 | A195-L241 HydrophobicContact CB-CD1 4.24Å; I196-L241 HydrophobicContact CD1-CB 4.1Å; I196-L241 HydrophobicContact CG1-CB 3.69Å; I196-L241 HydrophobicContact CG1-CD1 4.3Å; L199-L241 HydrophobicContact CD2-CD1 3.94Å; Q237-L241 HydrophobicContact CG-CD1 4.48Å; Q237-L241 PolarHBondContact O-N 3.33Å; L238-L241 PolarHBondContact O-N 3.21Å; L241-D244 PolarHBondContact O-N 3Å; L241-L245 VanDerWaalsContact O-CB 3.27Å; L241-L245 WeakPolarHBondContact O-CB 3.46Å; L241-L245 PolarHBondContact O-N 3.4Å |
| 242 | C | 87.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.7 | -29.5 | 175.3 | -68.9 | 0 | 0 | 0 | 0 | 113.5 | K143 F146 L183 L238 R240 S246 | K143-C242 HydrophobicContact CD-CB 4.09Å; K143-C242 WeakPolarHBondContact CD-O 3.41Å; K143-C242 VanDerWaalsContact CE-C 3.46Å; K143-C242 WeakPolarHBondContact CE-O 3.37Å; F146-C242 HydrophobicContact CE1-CB 4.46Å; F146-C242 HydrophobicContact CZ-CB 4.44Å; L183-C242 HydrophobicContact CD2-CB 3.68Å; L238-C242 WeakPolarHBondContact O-CB 3.42Å; L238-C242 PolarHBondContact O-N 2.83Å; L238-C242 PolarHBondContact O-SG 2.96Å; R240-C242 PolarHBondContact O-N 2.74Å; R240-C242 VanDerWaalsContact O-N 3.09Å; C242-S246 VanDerWaalsContact O-CB 3.27Å; C242-S246 WeakPolarHBondContact O-CB 3.47Å; C242-S246 PolarHBondContact O-N 2.97Å |
| 243 | K | 84.4 | Confident | 72.3 | Confident | 112 Ų | 112 | 66.1 Ų | 66.1 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73 | -45.6 | 171 | -176.3 | -174.3 | 173.4 | -172.8 | 0 | 110.7 | K143 S239 R240 S246 L247 | K143-K243 VanDerWaalsContact CE-CA 3.48Å; S239-K243 WeakPolarHBondContact O-CB 3.48Å; S239-K243 PolarHBondContact O-N 2.69Å; R240-K243 CarbonylContact O-C 3.51Å; R240-K243 VanDerWaalsContact O-CA 3.32Å; R240-K243 WeakPolarHBondContact O-CA 3.44Å; R240-K243 WeakPolarHBondContact O-CB 3.26Å; R240-K243 PolarHBondContact O-N 3.29Å; K243-S246 CarbonylContact O-C 3.49Å; K243-S246 PolarHBondContact O-N 3.32Å; K243-S246 VanDerWaalsContact O-N 3.1Å; K243-L247 HydrophobicContact CD-CD1 4.27Å; K243-L247 HydrophobicContact CG-CD1 3.88Å; K243-L247 HydrophobicContact CG-CG 4.22Å; K243-L247 WeakPolarHBondContact O-CB 3.32Å; K243-L247 WeakPolarHBondContact O-CG 3.44Å; K243-L247 PolarHBondContact O-N 2.97Å |
| 244 | D | 78.8 | Confident | 69 | Low | 59 Ų | 59 | 64.2 Ų | 64.2 | 32% | 0.316 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | -175.7 | -50.6 | -29.2 | 0 | 0 | 0 | 110.4 | R240 L241 S246 L247 R248 D249 | R240-D244 PolarHBondContact O-N 2.97Å; L241-D244 PolarHBondContact O-N 3Å; D244-S246 VanDerWaalsContact C-N 3.34Å; D244-S246 PolarHBondContact O-N 3.15Å; D244-L247 PolarHBondContact O-N 3.02Å; D244-R248 PolarHBondContact O-N 3.17Å; D244-D249 PolarHBondContact O-N 3.18Å |
| 245 | L | 77.4 | Confident | 65.8 | Low | 16 Ų | 16 | 69.2 Ų | 69.2 | 8% | 0.084 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 170.7 | -164.5 | 79.9 | 0 | 0 | 0 | 112.3 | L183 N187 S190 N192 I196 L241 | L183-L245 HydrophobicContact CD2-CB 4.38Å; L183-L245 HydrophobicContact CD2-CD2 3.81Å; L183-L245 HydrophobicContact CG-CD2 3.99Å; N187-L245 HydrophobicContact CB-CD1 4.18Å; N187-L245 HydrophobicContact CB-CD2 4.43Å; S190-L245 WeakPolarHBondContact OG-CD1 3.39Å; N192-L245 HydrophobicContact CB-CD1 4.03Å; I196-L245 HydrophobicContact CD1-CB 4.37Å; I196-L245 HydrophobicContact CD1-CD2 3.96Å; L241-L245 VanDerWaalsContact O-CB 3.27Å; L241-L245 WeakPolarHBondContact O-CB 3.46Å; L241-L245 PolarHBondContact O-N 3.4Å |
| 246 | S | 71.1 | Confident | 62.6 | Low | 11 Ų | 11 | 71.4 Ų | 71.4 | 8% | 0.077 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -80.7 | -16.2 | -179.4 | -173 | 0 | 0 | 0 | 0 | 114.5 | H140 C242 K243 D244 | H140-S246 PolarHBondContact ND1-OG 2.98Å; C242-S246 VanDerWaalsContact O-CB 3.27Å; C242-S246 WeakPolarHBondContact O-CB 3.47Å; C242-S246 PolarHBondContact O-N 2.97Å; K243-S246 CarbonylContact O-C 3.49Å; K243-S246 PolarHBondContact O-N 3.32Å; K243-S246 VanDerWaalsContact O-N 3.1Å; D244-S246 VanDerWaalsContact C-N 3.34Å; D244-S246 PolarHBondContact O-N 3.15Å |
| 247 | L | 63.2 | Low | 59.7 | Low | 110 Ų | 110 | 74.8 Ų | 74.8 | 58% | 0.576 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 2.2 | 175.2 | -75.3 | -175.8 | 0 | 0 | 0 | 113.2 | K243 D244 D249 | K243-L247 HydrophobicContact CD-CD1 4.27Å; K243-L247 HydrophobicContact CG-CD1 3.88Å; K243-L247 HydrophobicContact CG-CG 4.22Å; K243-L247 WeakPolarHBondContact O-CB 3.32Å; K243-L247 WeakPolarHBondContact O-CG 3.44Å; K243-L247 PolarHBondContact O-N 2.97Å; D244-L247 PolarHBondContact O-N 3.02Å; L247-D249 PolarHBondContact O-N 3.42Å |
| 248 | R | 53.6 | Low | 56.9 | Low | 74 Ų | 74 | 77.5 Ų | 77.5 | 28% | 0.279 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 23.6 | 174.8 | -38.5 | -170.9 | 81.1 | -76.6 | -32 | 114.8 | D244 T262 C263 | D244-R248 PolarHBondContact O-N 3.17Å; R248-T262 VanDerWaalsContact CZ-C 3.5Å; R248-T262 VanDerWaalsContact CZ-O 3.31Å; R248-T262 PolarHBondContact NH1-OG1 3.12Å; R248-T262 VanDerWaalsContact NH2-C 3.31Å; R248-T262 PolarHBondContact NH2-O 3.44Å; R248-T262 PolarHBondContact NH2-OG1 2.97Å; R248-C263 PolarHBondContact NH1-SG 3.46Å |
| 249 | D | 40.9 | Very low | 54.1 | Low | 59 Ų | 59 | 82.5 Ų | 82.5 | 32% | 0.316 | 48% | 0.476 | S | S | . | . | trans | 44.9 | 63.4 | 166.2 | -150.4 | -23.2 | 0 | 0 | 0 | 116.8 | D244 L247 T251 G252 | D244-D249 PolarHBondContact O-N 3.18Å; L247-D249 PolarHBondContact O-N 3.42Å; D249-T251 PolarHBondContact O-N 3.29Å; D249-T251 PolarHBondContact OD1-N 2.9Å; D249-T251 PolarHBondContact OD1-OG1 3.37Å; D249-G252 PolarHBondContact O-N 3.22Å | ||
| 250 | N | 34.6 | Very low | 51.4 | Low | 154 Ų | 154 | 88 Ų | 88 | 82% | 0.824 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 8.3 | 168.2 | -86.7 | -9.7 | 0 | 0 | 0 | 114.5 | ||
| 251 | T | 31.4 | Very low | 48.9 | Very low | 125 Ų | 125 | 83 Ų | 83 | 77% | 0.767 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -2.8 | -176 | 26.4 | 0 | 0 | 0 | 0 | 114.4 | D249 G253 | D249-T251 PolarHBondContact O-N 3.29Å; D249-T251 PolarHBondContact OD1-N 2.9Å; D249-T251 PolarHBondContact OD1-OG1 3.37Å; T251-G253 PolarHBondContact O-N 3.49Å; T251-G253 VanDerWaalsContact O-N 3.12Å |
| 252 | G | 31.8 | Very low | 46.7 | Very low | 37 Ų | 37 | 84.4 Ų | 84.4 | 38% | 0.381 | 49% | 0.492 | S | S | . | . | trans | -80.7 | 76.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | D249 G254 Q259 | D249-G252 PolarHBondContact O-N 3.22Å; G252-G254 PolarHBondContact O-N 3.04Å; G252-Q259 PolarHBondContact O-NE2 2.93Å | ||
| 253 | G | 26.3 | Very low | 44.5 | Very low | 91 Ų | 91 | 87.8 Ų | 87.8 | 94% | 0.938 | 52% | 0.515 | S | S | * | . | trans | -72 | 84 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T251 | T251-G253 PolarHBondContact O-N 3.49Å; T251-G253 VanDerWaalsContact O-N 3.12Å | ||
| 254 | G | 25.9 | Very low | 42.8 | Very low | 58 Ų | 58 | 83 Ų | 83 | 60% | 0.598 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -164.9 | 79.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | G252 | G252-G254 PolarHBondContact O-N 3.04Š|
| 255 | V | 27.7 | Very low | 41.4 | Very low | 142 Ų | 142 | 81.3 Ų | 81.3 | 86% | 0.861 | 49% | 0.487 | S | S | * | . | trans | 68.2 | 133.6 | 169.6 | -169.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 256 | G | 27.4 | Very low | 40.2 | Very low | 47 Ų | 47 | 82.3 Ų | 82.3 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -77.8 | -161.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q258 | G256-Q258 VanDerWaalsContact C-N 3.29Å; G256-Q258 PolarHBondContact O-N 3.31Å |
| 257 | D | 32.2 | Very low | 39.6 | Very low | 151 Ų | 151 | 83.5 Ų | 83.5 | 81% | 0.807 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 70.3 | -1.1 | 171.6 | -49.4 | -17.2 | 0 | 0 | 0 | 117.5 | H261 | D257-H261 PolarHBondContact O-NE2 3.35Š|
| 258 | Q | 35.7 | Very low | 39.6 | Very low | 157 Ų | 157 | 79.9 Ų | 79.9 | 73% | 0.734 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -126.9 | -15.1 | 172.9 | -65.8 | -168.4 | 9 | 0 | 0 | 117 | G256 H261 | G256-Q258 VanDerWaalsContact C-N 3.29Å; G256-Q258 PolarHBondContact O-N 3.31Å; Q258-H261 VanDerWaalsContact CA-NE2 3.34Å; Q258-H261 WeakPolarHBondContact CA-NE2 3.3Å; Q258-H261 PolarHBondContact O-CD2 2.84Å |
| 259 | Q | 34.1 | Very low | 40.4 | Very low | 105 Ų | 105 | 78.9 Ų | 78.9 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -71.6 | -41.6 | -173.7 | -91.7 | 162.2 | -36.8 | 0 | 0 | 114.3 | G252 H261 T262 | G252-Q259 PolarHBondContact O-NE2 2.93Å; Q259-H261 PolarHBondContact O-N 3.3Å; Q259-T262 PolarHBondContact O-OG1 3.37Å; Q259-T262 VanDerWaalsContact O-OG1 3.12Å |
| 260 | H | 35.8 | Very low | 41.8 | Very low | 141 Ų | 141 | 77.1 Ų | 77.1 | 65% | 0.653 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -67.3 | -28.2 | -171.9 | -74.3 | -64.9 | 0 | 0 | 0 | 115.4 | T262 | H260-T262 PolarHBondContact O-N 3.22Š|
| 261 | H | 38.7 | Very low | 43.4 | Very low | 64 Ų | 64 | 71.9 Ų | 71.9 | 30% | 0.296 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -57 | -24.1 | -176.2 | -52.1 | -45.6 | 0 | 0 | 0 | 113.6 | D257 Q258 Q259 F267 E917 | D257-H261 PolarHBondContact O-NE2 3.35Å; Q258-H261 VanDerWaalsContact CA-NE2 3.34Å; Q258-H261 WeakPolarHBondContact CA-NE2 3.3Å; Q258-H261 PolarHBondContact O-CD2 2.84Å; Q259-H261 PolarHBondContact O-N 3.3Å; H261-F267 WeakPolarHBondContact O-CB 3.29Å; H261-E917 WeakPolarHBondContact CE1-CG 3.36Å; H261-E917 IonicContact CE1-OE1 3.32Å; H261-E917 PolarHBondContact CE1-OE1 3.28Å; H261-E917 IonicContact CE1-OE2 2.67Å; H261-E917 PolarHBondContact CE1-OE2 2.92Å |
| 262 | T | 42.2 | Very low | 45.3 | Very low | 59 Ų | 59 | 66.5 Ų | 66.5 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -92.4 | -22.1 | -160.2 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | R248 Q259 H260 N264 R268 | R248-T262 VanDerWaalsContact CZ-C 3.5Å; R248-T262 VanDerWaalsContact CZ-O 3.31Å; R248-T262 PolarHBondContact NH1-OG1 3.12Å; R248-T262 VanDerWaalsContact NH2-C 3.31Å; R248-T262 PolarHBondContact NH2-O 3.44Å; R248-T262 PolarHBondContact NH2-OG1 2.97Å; Q259-T262 PolarHBondContact O-OG1 3.37Å; Q259-T262 VanDerWaalsContact O-OG1 3.12Å; H260-T262 PolarHBondContact O-N 3.22Å; T262-N264 PolarHBondContact O-N 2.96Å; T262-R268 PolarHBondContact O-NE 3.01Å; T262-R268 PolarHBondContact O-NH2 3.46Å |
| 263 | C | 42.5 | Very low | 47.6 | Very low | 71 Ų | 71 | 65 Ų | 65 | 48% | 0.48 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26.6 | 171.4 | -65 | 0 | 0 | 0 | 0 | 111.9 | R248 P265 | R248-C263 PolarHBondContact NH1-SG 3.46Å; C263-P265 VanDerWaalsContact O-CD 3.25Å; C263-P265 WeakPolarHBondContact O-CD 3.4Å |
| 264 | N | 47.6 | Very low | 50.2 | Low | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.064 | 35% | 0.354 | C | S | . | . | trans | -63.3 | 105.2 | -179.6 | 159.6 | 63.4 | 0 | 0 | 0 | 115.7 | T262 L266 F267 Q1064 | T262-N264 PolarHBondContact O-N 2.96Å; N264-L266 PolarHBondContact O-N 3.47Å; N264-L266 WeakPolarHBondContact OD1-CB 3.48Å; N264-L266 PolarHBondContact OD1-N 2.69Å; N264-F267 HydrophobicContact CB-CD2 4.47Å; N264-F267 WeakPolarHBondContact ND2-CD2 3.43Å; N264-F267 WeakPolarHBondContact ND2-CE2 3.28Å; N264-F267 PolarHBondContact O-N 3.26Å; N264-Q1064 PolarHBondContact ND2-NE2 3.2Å | ||
| 265 | P | 50.1 | Low | 52.6 | Low | 23 Ų | 23 | 61.2 Ų | 61.2 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -59.4 | -35.1 | 173.8 | -23.2 | 35.1 | 0 | 0 | 0 | 112.6 | F132 D133 C263 F267 R268 | F132-P265 WeakPolarHBondContact O-CB 3.33Å; D133-P265 HydrophobicContact CB-CB 3.72Å; D133-P265 HydrophobicContact CB-CG 3.74Å; C263-P265 VanDerWaalsContact O-CD 3.25Å; C263-P265 WeakPolarHBondContact O-CD 3.4Å; P265-F267 PolarHBondContact O-N 2.75Å; P265-F267 VanDerWaalsContact O-N 3.1Å; P265-R268 PolarHBondContact O-N 2.75Å; P265-R268 VanDerWaalsContact O-N 3.08Å |
| 266 | L | 51 | Low | 55.1 | Low | 37 Ų | 37 | 55.8 Ų | 55.8 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -65.4 | -12.3 | 177.5 | -144.5 | 154.7 | 0 | 0 | 0 | 112.3 | N264 L291 A927 | N264-L266 PolarHBondContact O-N 3.47Å; N264-L266 WeakPolarHBondContact OD1-CB 3.48Å; N264-L266 PolarHBondContact OD1-N 2.69Å; L266-L291 HydrophobicContact CD2-CD1 3.52Å; L266-L291 HydrophobicContact CD2-CD2 3.52Å; L266-L291 HydrophobicContact CD2-CG 4.15Å; L266-A927 HydrophobicContact CD1-CB 4.21Å |
| 267 | F | 59.6 | Low | 57.9 | Low | 36 Ų | 36 | 53.6 Ų | 53.6 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -106 | 7.6 | 176.5 | -72 | -87.8 | 0 | 0 | 0 | 114.3 | H261 N264 P265 P290 L291 V294 | H261-F267 WeakPolarHBondContact O-CB 3.29Å; N264-F267 HydrophobicContact CB-CD2 4.47Å; N264-F267 WeakPolarHBondContact ND2-CD2 3.43Å; N264-F267 WeakPolarHBondContact ND2-CE2 3.28Å; N264-F267 PolarHBondContact O-N 3.26Å; P265-F267 PolarHBondContact O-N 2.75Å; P265-F267 VanDerWaalsContact O-N 3.1Å; F267-P290 HydrophobicContact CE1-CB 4.03Å; F267-P290 HydrophobicContact CZ-CB 4.05Å; F267-L291 HydrophobicContact CD1-CD2 4.03Å; F267-L291 HydrophobicContact CE1-CD2 3.85Å; F267-L291 HydrophobicContact CG-CD2 4.47Å; F267-L291 HydrophobicContact CZ-CD2 4.13Å; F267-V294 HydrophobicContact CB-CG2 4.49Å; F267-V294 WeakPolarHBondContact O-CG2 3.5Å |
| 268 | R | 63.2 | Low | 60.1 | Low | 34 Ų | 34 | 50.3 Ų | 50.3 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -101.7 | 153.1 | 176.3 | -60.3 | -162.3 | -165.3 | 140.5 | 26.4 | 112.4 | D133 T262 P265 Q279 V294 | D133-R268 IonicContact OD1-CZ 3.8Å; D133-R268 VanDerWaalsContact OD1-CZ 3.26Å; D133-R268 IonicContact OD1-NE 3.79Å; D133-R268 IonicContact OD1-NH1 2.75Å; D133-R268 PolarHBondContact OD1-NH1 3.4Å; D133-R268 IonicContact OD1-NH2 3.99Å; D133-R268 IonicContact OD2-CZ 3.67Å; D133-R268 IonicContact OD2-NH1 2.76Å; D133-R268 PolarHBondContact OD2-NH1 3.35Å; D133-R268 IonicContact OD2-NH2 3.57Å; D133-R268 PolarHBondContact OD2-NH2 2.69Å; T262-R268 PolarHBondContact O-NE 3.01Å; T262-R268 PolarHBondContact O-NH2 3.46Å; P265-R268 PolarHBondContact O-N 2.75Å; P265-R268 VanDerWaalsContact O-N 3.08Å; R268-Q279 PolarHBondContact O-NE2 2.9Å; R268-Q279 PolarHBondContact O-OE1 3.46Å; R268-V294 WeakPolarHBondContact O-CG1 3.33Å |
| 269 | L | 69.8 | Low | 62.1 | Low | 54 Ų | 54 | 44.9 Ų | 44.9 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 124.2 | 176.3 | -179.7 | 67.4 | 0 | 0 | 0 | 109.6 | K276 E297 A298 | L269-K276 HydrophobicContact CD1-CD 4.44Å; L269-K276 HydrophobicContact CD1-CG 3.99Å; L269-E297 HydrophobicContact CD2-CG 4.45Å; L269-A298 HydrophobicContact CD1-CB 3.85Å |
| 270 | A | 70.2 | Confident | 64.6 | Low | 21 Ų | 21 | 39.9 Ų | 39.9 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 150.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G275 K276 Q279 | A270-G275 VanDerWaalsContact CB-C 3.43Å; A270-K276 HydrophobicContact CB-CG 4.41Å; A270-K276 WeakPolarHBondContact O-CE 3.35Å; A270-K276 WeakPolarHBondContact O-CG 3.43Å; A270-Q279 HydrophobicContact CB-CG 4.43Å |
| 271 | R | 68.7 | Low | 67 | Low | 44 Ų | 44 | 35.1 Ų | 35.1 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -70.4 | -49.9 | -179.5 | -70.2 | -178.8 | 158.5 | -156.8 | -34.7 | 113.7 | D134 D135 L186 D456 | D134-R271 HydrophobicContact CB-CG 3.97Å; D134-R271 WeakPolarHBondContact OD2-CD 3.46Å; D135-R271 WeakPolarHBondContact OD1-CG 3.45Å; D135-R271 IonicContact OD1-CZ 2.63Å; D135-R271 IonicContact OD1-NE 3.19Å; D135-R271 PolarHBondContact OD1-NE 3.03Å; L186-R271 VanDerWaalsContact CD2-NH2 3.35Å; R271-D456 IonicContact CZ-OD2 3.66Å; R271-D456 IonicContact NH1-OD1 2.63Å; R271-D456 PolarHBondContact NH1-OD1 3.43Å; R271-D456 IonicContact NH1-OD2 2.69Å; R271-D456 PolarHBondContact NH1-OD2 3.02Å; R271-D456 IonicContact NH2-OD2 3.41Å |
| 272 | T | 71.7 | Confident | 68.9 | Low | 12 Ų | 12 | 36.6 Ų | 36.6 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -79.5 | 154.1 | -174.5 | 58 | 0 | 0 | 0 | 0 | 111.6 | E274 G275 K276 A446 L449 | T272-E274 VanDerWaalsContact C-N 3.26Å; T272-E274 PolarHBondContact O-N 2.98Å; T272-G275 PolarHBondContact O-N 3.35Å; T272-G275 PolarHBondContact OG1-N 3.25Å; T272-K276 VanDerWaalsContact O-CG 3.3Å; T272-K276 WeakPolarHBondContact O-CG 3.28Å; T272-K276 PolarHBondContact O-N 3.2Å; T272-A446 WeakPolarHBondContact CA-O 3.45Å; T272-L449 WeakPolarHBondContact CG2-O 3.41Å |
| 273 | L | 80.5 | Confident | 70.9 | Confident | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -32.6 | 174.6 | -66.2 | 170.7 | 0 | 0 | 0 | 111.5 | K276 L277 L302 I309 W381 L384 A446 T447 | L273-K276 HydrophobicContact CD2-CD 4.31Å; L273-K276 PolarHBondContact O-N 3.09Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 PolarHBondContact O-N 3.32Å; L273-L302 HydrophobicContact CD2-CB 4.45Å; L273-L302 HydrophobicContact CD2-CG 4.38Å; L273-I309 HydrophobicContact CD1-CD1 3.42Å; L273-I309 VanDerWaalsContact CD1-CD1 3.42Å; L273-W381 HydrophobicContact CB-CZ3 3.99Å; L273-L384 HydrophobicContact CD1-CD1 4.2Å; L273-A446 PolarHBondContact N-O 3.4Å; L273-T447 HydrophobicContact CD1-CG2 4Å |
| 274 | E | 80.3 | Confident | 73 | Confident | 50 Ų | 50 | 30.7 Ų | 30.7 | 23% | 0.234 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 170.3 | -167.5 | 168.3 | -156.3 | 0 | 0 | 112.4 | T272 K276 L277 V278 W381 T447 S450 | T272-E274 VanDerWaalsContact C-N 3.26Å; T272-E274 PolarHBondContact O-N 2.98Å; E274-K276 VanDerWaalsContact C-N 3.31Å; E274-K276 PolarHBondContact O-N 3.41Å; E274-L277 WeakPolarHBondContact O-CB 3.42Å; E274-L277 PolarHBondContact O-N 2.95Å; E274-L277 VanDerWaalsContact O-N 3.12Å; E274-V278 WeakPolarHBondContact O-CG2 3.15Å; E274-V278 PolarHBondContact O-N 2.81Å; E274-W381 HydrophobicContact CB-CH2 3.58Å; E274-W381 HydrophobicContact CB-CZ2 3.93Å; E274-W381 HydrophobicContact CB-CZ3 4.26Å; E274-W381 HydrophobicContact CG-CH2 4.12Å; E274-W381 HydrophobicContact CG-CZ2 3.92Å; E274-T447 PolarHBondContact N-O 3.02Å; E274-T447 VanDerWaalsContact N-O 3.17Å; E274-S450 WeakPolarHBondContact OE2-CB 3.27Å |
| 275 | G | 75 | Confident | 74.6 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 19% | 0.186 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A270 T272 V278 Q279 | A270-G275 VanDerWaalsContact CB-C 3.43Å; T272-G275 PolarHBondContact O-N 3.35Å; T272-G275 PolarHBondContact OG1-N 3.25Å; G275-V278 PolarHBondContact O-N 3.07Å; G275-Q279 WeakPolarHBondContact O-CG 3.41Å; G275-Q279 PolarHBondContact O-N 3.34Å |
| 276 | K | 81.6 | Confident | 75.9 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 12% | 0.122 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 173.6 | -68.1 | 169.3 | -171.2 | -176.5 | 0 | 111.7 | L269 A270 T272 L273 E274 Q279 A280 A298 S301 L302 | L269-K276 HydrophobicContact CD1-CD 4.44Å; L269-K276 HydrophobicContact CD1-CG 3.99Å; A270-K276 HydrophobicContact CB-CG 4.41Å; A270-K276 WeakPolarHBondContact O-CE 3.35Å; A270-K276 WeakPolarHBondContact O-CG 3.43Å; T272-K276 VanDerWaalsContact O-CG 3.3Å; T272-K276 WeakPolarHBondContact O-CG 3.28Å; T272-K276 PolarHBondContact O-N 3.2Å; L273-K276 HydrophobicContact CD2-CD 4.31Å; L273-K276 PolarHBondContact O-N 3.09Å; E274-K276 VanDerWaalsContact C-N 3.31Å; E274-K276 PolarHBondContact O-N 3.41Å; K276-Q279 PolarHBondContact O-N 2.96Å; K276-A280 VanDerWaalsContact O-CB 3.26Å; K276-A280 WeakPolarHBondContact O-CB 3.42Å; K276-A280 PolarHBondContact O-N 3.15Å; K276-A298 HydrophobicContact CB-CB 4.23Å; K276-A298 WeakPolarHBondContact O-CB 3.29Å; K276-S301 PolarHBondContact NZ-OG 2.99Å; K276-L302 HydrophobicContact CB-CB 4.28Å; K276-L302 HydrophobicContact CB-CD1 4.46Å |
| 277 | L | 85.4 | Confident | 77.4 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 174.3 | -179 | 65.7 | 0 | 0 | 0 | 111.1 | L273 E274 A280 Q281 L302 L377 W381 V1117 | L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 PolarHBondContact O-N 3.32Å; E274-L277 WeakPolarHBondContact O-CB 3.42Å; E274-L277 PolarHBondContact O-N 2.95Å; E274-L277 VanDerWaalsContact O-N 3.12Å; L277-A280 PolarHBondContact O-N 3.17Å; L277-Q281 HydrophobicContact CD1-CG 4.43Å; L277-Q281 WeakPolarHBondContact O-CB 3.48Å; L277-Q281 VanDerWaalsContact O-CG 3.29Å; L277-Q281 WeakPolarHBondContact O-CG 3.43Å; L277-Q281 PolarHBondContact O-N 3.25Å; L277-L302 HydrophobicContact CB-CD1 3.71Å; L277-L302 HydrophobicContact CD1-CD1 4.05Å; L277-L302 HydrophobicContact CG-CD1 4.49Å; L277-L377 HydrophobicContact CD1-CB 3.74Å; L277-L377 HydrophobicContact CD1-CD1 4.49Å; L277-L377 HydrophobicContact CD1-CD2 4.47Å; L277-L377 HydrophobicContact CD1-CG 4.47Å; L277-W381 HydrophobicContact CD2-CB 3.74Å; L277-W381 HydrophobicContact CD2-CD2 3.71Å; L277-W381 HydrophobicContact CD2-CE3 4.32Å; L277-W381 HydrophobicContact CD2-CG 3.4Å; L277-W381 VanDerWaalsContact CD2-CG 3.4Å; L277-V1117 HydrophobicContact CD2-CG1 4.33Å |
| 278 | V | 79.7 | Confident | 78.4 | Confident | 82 Ų | 82 | 35.6 Ų | 35.6 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 177.1 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | E274 G275 Q281 R282 | E274-V278 WeakPolarHBondContact O-CG2 3.15Å; E274-V278 PolarHBondContact O-N 2.81Å; G275-V278 PolarHBondContact O-N 3.07Å; V278-Q281 PolarHBondContact O-N 2.96Å; V278-R282 VanDerWaalsContact O-CB 3.26Å; V278-R282 WeakPolarHBondContact O-CB 3.26Å; V278-R282 PolarHBondContact O-N 2.9Å |
| 279 | Q | 76.8 | Confident | 78.9 | Confident | 43 Ų | 43 | 34.5 Ų | 34.5 | 20% | 0.201 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 177 | -73.1 | -177.9 | -16 | 0 | 0 | 113 | R268 A270 G275 K276 R282 W283 A298 | R268-Q279 PolarHBondContact O-NE2 2.9Å; R268-Q279 PolarHBondContact O-OE1 3.46Å; A270-Q279 HydrophobicContact CB-CG 4.43Å; G275-Q279 WeakPolarHBondContact O-CG 3.41Å; G275-Q279 PolarHBondContact O-N 3.34Å; K276-Q279 PolarHBondContact O-N 2.96Å; Q279-R282 PolarHBondContact O-N 2.92Å; Q279-W283 PolarHBondContact O-N 3.3Å; Q279-W283 VanDerWaalsContact O-N 3.13Å; Q279-A298 HydrophobicContact CB-CB 3.96Å |
| 280 | A | 87.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.9 | -51.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | K276 L277 R282 W283 L284 A298 L377 | K276-A280 VanDerWaalsContact O-CB 3.26Å; K276-A280 WeakPolarHBondContact O-CB 3.42Å; K276-A280 PolarHBondContact O-N 3.15Å; L277-A280 PolarHBondContact O-N 3.17Å; A280-R282 VanDerWaalsContact C-N 3.31Å; A280-R282 PolarHBondContact O-N 2.63Å; A280-W283 PolarHBondContact O-N 2.88Å; A280-W283 VanDerWaalsContact O-N 3.14Å; A280-L284 VanDerWaalsContact O-CG 3.28Å; A280-L284 WeakPolarHBondContact O-CG 3.42Å; A280-L284 PolarHBondContact O-N 3.4Å; A280-A298 HydrophobicContact CB-CB 4.18Å; A280-L377 HydrophobicContact CB-CD1 3.77Å |
| 281 | Q | 85.8 | Confident | 78.8 | Confident | 40 Ų | 40 | 34.4 Ų | 34.4 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -37.4 | 178.1 | -71.7 | 178.7 | 19 | 0 | 0 | 113.1 | L277 V278 W283 L284 A285 V1117 | L277-Q281 HydrophobicContact CD1-CG 4.43Å; L277-Q281 WeakPolarHBondContact O-CB 3.48Å; L277-Q281 VanDerWaalsContact O-CG 3.29Å; L277-Q281 WeakPolarHBondContact O-CG 3.43Å; L277-Q281 PolarHBondContact O-N 3.25Å; V278-Q281 PolarHBondContact O-N 2.96Å; Q281-W283 VanDerWaalsContact C-N 3.3Å; Q281-W283 PolarHBondContact O-N 2.89Å; Q281-L284 PolarHBondContact O-N 3.4Å; Q281-L284 VanDerWaalsContact O-N 3.12Å; Q281-A285 PolarHBondContact O-N 3.45Å; Q281-V1117 VanDerWaalsContact NE2-CG2 3.31Å |
| 282 | R | 78.5 | Confident | 79.3 | Confident | 96 Ų | 96 | 35.6 Ų | 35.6 | 36% | 0.362 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.4 | -35.7 | 175.8 | -172.3 | 175 | -177 | 168.6 | 1.8 | 112.3 | V278 Q279 A280 L291 | V278-R282 VanDerWaalsContact O-CB 3.26Å; V278-R282 WeakPolarHBondContact O-CB 3.26Å; V278-R282 PolarHBondContact O-N 2.9Å; Q279-R282 PolarHBondContact O-N 2.92Å; A280-R282 VanDerWaalsContact C-N 3.31Å; A280-R282 PolarHBondContact O-N 2.63Å; R282-L291 HydrophobicContact CG-CD1 4.17Å |
| 283 | W | 83.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.3 | -39.3 | 169.4 | 166.8 | 49.8 | 0 | 0 | 0 | 112.6 | Q279 A280 Q281 A285 D286 P287 R292 L296 L351 F352 | Q279-W283 PolarHBondContact O-N 3.3Å; Q279-W283 VanDerWaalsContact O-N 3.13Å; A280-W283 PolarHBondContact O-N 2.88Å; A280-W283 VanDerWaalsContact O-N 3.14Å; Q281-W283 VanDerWaalsContact C-N 3.3Å; Q281-W283 PolarHBondContact O-N 2.89Å; W283-A285 PolarHBondContact O-N 2.9Å; W283-D286 CarbonylContact O-C 3.55Å; W283-D286 WeakPolarHBondContact O-CA 3.47Å; W283-D286 PolarHBondContact O-N 2.96Å; W283-P287 PolarHBondContact NE1-O 3.36Å; W283-P287 VanDerWaalsContact NE1-O 3.14Å; W283-P287 WeakPolarHBondContact O-CA 3.36Å; W283-R292 VanDerWaalsContact CD1-CA 3.41Å; W283-L296 HydrophobicContact CH2-CB 4.29Å; W283-L296 HydrophobicContact CH2-CD1 4.02Å; W283-L296 HydrophobicContact CZ3-CB 4.31Å; W283-L296 HydrophobicContact CZ3-CD1 4.32Å; W283-L351 HydrophobicContact CH2-CB 4.42Å; W283-L351 HydrophobicContact CH2-CD2 4.21Å; W283-L351 HydrophobicContact CH2-CG 4.42Å; W283-L351 HydrophobicContact CZ2-CB 4.48Å; W283-L351 HydrophobicContact CZ2-CD2 4.11Å; W283-L351 HydrophobicContact CZ2-CG 4.11Å; W283-F352 HydrophobicContact CH2-CB 4.31Å; W283-F352 HydrophobicContact CZ2-CB 4.01Å; W283-F352 HydrophobicContact CZ2-CD2 4.34Å |
| 284 | L | 86.8 | Confident | 79.6 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -20.1 | 178.2 | -61.8 | 168.1 | 0 | 0 | 0 | 112.7 | A280 Q281 L351 A370 I373 S374 L377 | A280-L284 VanDerWaalsContact O-CG 3.28Å; A280-L284 WeakPolarHBondContact O-CG 3.42Å; A280-L284 PolarHBondContact O-N 3.4Å; Q281-L284 PolarHBondContact O-N 3.4Å; Q281-L284 VanDerWaalsContact O-N 3.12Å; L284-L351 HydrophobicContact CD2-CD2 3.63Å; L284-A370 HydrophobicContact CB-CB 4.32Å; L284-A370 HydrophobicContact CD2-CB 4.16Å; L284-I373 HydrophobicContact CD1-CB 3.97Å; L284-I373 HydrophobicContact CD1-CG2 3.67Å; L284-I373 HydrophobicContact CD2-CB 3.95Å; L284-I373 HydrophobicContact CD2-CD1 3.69Å; L284-I373 HydrophobicContact CD2-CG1 4.46Å; L284-I373 HydrophobicContact CD2-CG2 4.05Å; L284-S374 WeakPolarHBondContact CD1-OG 3.43Å; L284-L377 HydrophobicContact CD1-CD1 3.59Å |
| 285 | A | 80.9 | Confident | 79.8 | Confident | 63 Ų | 63 | 38 Ų | 38 | 52% | 0.521 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -19.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q281 W283 | Q281-A285 PolarHBondContact O-N 3.45Å; W283-A285 PolarHBondContact O-N 2.9Å |
| 286 | D | 77.6 | Confident | 80.5 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 36% | 0.358 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -146.5 | 82 | 171.5 | 178.4 | 4 | 0 | 0 | 0 | 110.5 | W283 R288 G289 | W283-D286 CarbonylContact O-C 3.55Å; W283-D286 WeakPolarHBondContact O-CA 3.47Å; W283-D286 PolarHBondContact O-N 2.96Å; D286-R288 PolarHBondContact O-N 2.71Å; D286-R288 PolarHBondContact OD1-N 2.87Å; D286-G289 PolarHBondContact O-N 3.43Å; D286-G289 PolarHBondContact OD1-N 3.44Å; D286-G289 WeakPolarHBondContact OD2-CA 3.36Å |
| 287 | P | 83.6 | Confident | 80.6 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.5 | -172.1 | -26.6 | 37.1 | 0 | 0 | 0 | 115.6 | W283 L351 S355 A370 | W283-P287 PolarHBondContact NE1-O 3.36Å; W283-P287 VanDerWaalsContact NE1-O 3.14Å; W283-P287 WeakPolarHBondContact O-CA 3.36Å; P287-L351 HydrophobicContact CB-CD1 4.05Å; P287-L351 HydrophobicContact CB-CD2 4.18Å; P287-L351 HydrophobicContact CB-CG 4.21Å; P287-L351 HydrophobicContact CG-CD1 4.47Å; P287-L351 HydrophobicContact CG-CD2 4.32Å; P287-S355 WeakPolarHBondContact O-CB 3.34Å; P287-S355 PolarHBondContact O-OG 2.88Å; P287-A370 HydrophobicContact CG-CB 4.16Å |
| 288 | R | 80.7 | Confident | 80.7 | Confident | 65 Ų | 65 | 40.1 Ų | 40.1 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -24.2 | -178.2 | -72.5 | 179 | 172.1 | -88.8 | 5 | 112.9 | D286 R292 S355 Q357 | D286-R288 PolarHBondContact O-N 2.71Å; D286-R288 PolarHBondContact OD1-N 2.87Å; R288-R292 PolarHBondContact O-NH1 2.65Å; R288-S355 PolarHBondContact NH1-O 2.93Å; R288-Q357 PolarHBondContact NH1-O 3.25Å; R288-Q357 PolarHBondContact NH2-O 2.85Å |
| 289 | G | 72.3 | Confident | 81.2 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -58.7 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | D286 L291 R292 | D286-G289 PolarHBondContact O-N 3.43Å; D286-G289 PolarHBondContact OD1-N 3.44Å; D286-G289 WeakPolarHBondContact OD2-CA 3.36Å; G289-L291 PolarHBondContact O-N 3.49Å; G289-L291 VanDerWaalsContact O-N 3.09Å; G289-R292 WeakPolarHBondContact O-CB 3.47Å; G289-R292 WeakPolarHBondContact O-CG 3.43Å; G289-R292 PolarHBondContact O-N 3.18Å |
| 290 | P | 67.4 | Low | 81.8 | Confident | 43 Ų | 43 | 38.1 Ų | 38.1 | 28% | 0.279 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.3 | -168.9 | 23.4 | -34 | 0 | 0 | 0 | 113.6 | F267 R292 | F267-P290 HydrophobicContact CE1-CB 4.03Å; F267-P290 HydrophobicContact CZ-CB 4.05Å; P290-R292 PolarHBondContact O-N 3.19Å |
| 291 | L | 70.6 | Confident | 81.7 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 0.9 | -175.8 | -48.7 | -177.1 | 0 | 0 | 0 | 114.1 | L266 F267 R282 G289 H293 V294 G295 | L266-L291 HydrophobicContact CD2-CD1 3.52Å; L266-L291 HydrophobicContact CD2-CD2 3.52Å; L266-L291 HydrophobicContact CD2-CG 4.15Å; F267-L291 HydrophobicContact CD1-CD2 4.03Å; F267-L291 HydrophobicContact CE1-CD2 3.85Å; F267-L291 HydrophobicContact CG-CD2 4.47Å; F267-L291 HydrophobicContact CZ-CD2 4.13Å; R282-L291 HydrophobicContact CG-CD1 4.17Å; G289-L291 PolarHBondContact O-N 3.49Å; G289-L291 VanDerWaalsContact O-N 3.09Å; L291-H293 PolarHBondContact O-N 3.49Å; L291-H293 VanDerWaalsContact O-N 3.11Å; L291-V294 PolarHBondContact O-N 2.96Å; L291-G295 PolarHBondContact O-N 3.34Å |
| 292 | R | 79.8 | Confident | 81.8 | Confident | 69 Ų | 69 | 37.3 Ų | 37.3 | 26% | 0.26 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -54.7 | -33.2 | -172 | 63 | 174.2 | -174.1 | -98.9 | -13.1 | 115.4 | W283 R288 G289 P290 L296 F352 | W283-R292 VanDerWaalsContact CD1-CA 3.41Å; R288-R292 PolarHBondContact O-NH1 2.65Å; G289-R292 WeakPolarHBondContact O-CB 3.47Å; G289-R292 WeakPolarHBondContact O-CG 3.43Å; G289-R292 PolarHBondContact O-N 3.18Å; P290-R292 PolarHBondContact O-N 3.19Å; R292-L296 WeakPolarHBondContact O-CB 3.2Å; R292-L296 PolarHBondContact O-N 2.83Å; R292-L296 VanDerWaalsContact O-N 3.17Å; R292-F352 HydrophobicContact CB-CD2 4.29Å; R292-F352 HydrophobicContact CB-CE2 4.15Å; R292-F352 HydrophobicContact CG-CE2 3.92Å |
| 293 | H | 81 | Confident | 82.4 | Confident | 102 Ų | 102 | 32.8 Ų | 32.8 | 47% | 0.472 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.6 | -42.2 | 178.7 | -65.1 | -90.6 | 0 | 0 | 0 | 111.3 | L291 E297 F352 | L291-H293 PolarHBondContact O-N 3.49Å; L291-H293 VanDerWaalsContact O-N 3.11Å; H293-E297 PolarHBondContact O-N 3.43Å; H293-F352 AromaticContact CE1-CZ 3.66Å; H293-F352 AromaticContact ND1-CE2 3.96Å; H293-F352 AromaticContact ND1-CZ 3.63Å |
| 294 | V | 78.2 | Confident | 82.6 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.9 | -42.4 | 180 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | F267 R268 L291 L296 E297 A298 | F267-V294 HydrophobicContact CB-CG2 4.49Å; F267-V294 WeakPolarHBondContact O-CG2 3.5Å; R268-V294 WeakPolarHBondContact O-CG1 3.33Å; L291-V294 PolarHBondContact O-N 2.96Å; V294-L296 VanDerWaalsContact C-N 3.34Å; V294-L296 PolarHBondContact O-N 2.93Å; V294-E297 PolarHBondContact O-N 3.2Å; V294-A298 VanDerWaalsContact O-CB 3.25Å; V294-A298 WeakPolarHBondContact O-CB 3.35Å; V294-A298 PolarHBondContact O-N 3.41Å |
| 295 | G | 83.5 | Confident | 82.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L291 A298 C299 | L291-G295 PolarHBondContact O-N 3.34Å; G295-A298 PolarHBondContact O-N 3.04Å; G295-C299 PolarHBondContact O-N 2.99Å; G295-C299 PolarHBondContact O-SG 2.91Å |
| 296 | L | 88.8 | Confident | 82.6 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -46.7 | 173.8 | 179.3 | 63.5 | 0 | 0 | 0 | 111.7 | W283 R292 V294 A298 C299 R300 S348 F352 | W283-L296 HydrophobicContact CH2-CB 4.29Å; W283-L296 HydrophobicContact CH2-CD1 4.02Å; W283-L296 HydrophobicContact CZ3-CB 4.31Å; W283-L296 HydrophobicContact CZ3-CD1 4.32Å; R292-L296 WeakPolarHBondContact O-CB 3.2Å; R292-L296 PolarHBondContact O-N 2.83Å; R292-L296 VanDerWaalsContact O-N 3.17Å; V294-L296 VanDerWaalsContact C-N 3.34Å; V294-L296 PolarHBondContact O-N 2.93Å; L296-A298 VanDerWaalsContact C-N 3.3Å; L296-A298 PolarHBondContact O-N 3.38Å; L296-C299 WeakPolarHBondContact O-CB 3.22Å; L296-C299 PolarHBondContact O-N 2.9Å; L296-R300 PolarHBondContact O-N 3.14Å; L296-R300 VanDerWaalsContact O-N 3.15Å; L296-S348 WeakPolarHBondContact CD1-OG 3.2Å; L296-F352 HydrophobicContact CB-CD2 4.13Å; L296-F352 HydrophobicContact CD1-CB 4.33Å; L296-F352 HydrophobicContact CD2-CB 4Å; L296-F352 HydrophobicContact CD2-CD1 4.01Å; L296-F352 HydrophobicContact CD2-CD2 3.76Å; L296-F352 HydrophobicContact CD2-CE1 4.44Å; L296-F352 HydrophobicContact CD2-CE2 4.19Å; L296-F352 HydrophobicContact CD2-CG 3.66Å; L296-F352 HydrophobicContact CG-CD2 4.49Å |
| 297 | E | 85.4 | Confident | 83 | Confident | 83 Ų | 83 | 35.8 Ų | 35.8 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -70.6 | -29.2 | -179.9 | -159.8 | 56.1 | -149.7 | 0 | 0 | 111.9 | L269 H293 V294 R300 S301 | L269-E297 HydrophobicContact CD2-CG 4.45Å; H293-E297 PolarHBondContact O-N 3.43Å; V294-E297 PolarHBondContact O-N 3.2Å; E297-R300 PolarHBondContact O-N 2.95Å; E297-R300 WeakPolarHBondContact OE2-CD 3.19Å; E297-R300 IonicContact OE2-CZ 2.69Å; E297-R300 IonicContact OE2-NH1 3.12Å; E297-R300 PolarHBondContact OE2-NH1 3.12Å; E297-S301 WeakPolarHBondContact O-CB 3.4Å; E297-S301 PolarHBondContact O-N 3.3Å |
| 298 | A | 85.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L269 K276 Q279 A280 V294 G295 L296 R300 L302 | L269-A298 HydrophobicContact CD1-CB 3.85Å; K276-A298 HydrophobicContact CB-CB 4.23Å; K276-A298 WeakPolarHBondContact O-CB 3.29Å; Q279-A298 HydrophobicContact CB-CB 3.96Å; A280-A298 HydrophobicContact CB-CB 4.18Å; V294-A298 VanDerWaalsContact O-CB 3.25Å; V294-A298 WeakPolarHBondContact O-CB 3.35Å; V294-A298 PolarHBondContact O-N 3.41Å; G295-A298 PolarHBondContact O-N 3.04Å; L296-A298 VanDerWaalsContact C-N 3.3Å; L296-A298 PolarHBondContact O-N 3.38Å; A298-R300 PolarHBondContact O-N 3.07Å; A298-L302 WeakPolarHBondContact O-CB 3.5Å; A298-L302 PolarHBondContact O-N 3.36Å |
| 299 | C | 91.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.2 | -49.5 | 171.6 | -78.2 | 0 | 0 | 0 | 0 | 112.1 | G295 L296 A303 V344 | G295-C299 PolarHBondContact O-N 2.99Å; G295-C299 PolarHBondContact O-SG 2.91Å; L296-C299 WeakPolarHBondContact O-CB 3.22Å; L296-C299 PolarHBondContact O-N 2.9Å; C299-A303 WeakPolarHBondContact O-CB 3.14Å; C299-A303 PolarHBondContact O-N 3.05Å; C299-V344 HydrophobicContact CB-CG1 3.72Å |
| 300 | R | 89.2 | Confident | 83.3 | Confident | 82 Ų | 82 | 36.3 Ų | 36.3 | 31% | 0.309 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.8 | -49.9 | -179.8 | -67.1 | 169.4 | 178.6 | 167.8 | -6.7 | 112.5 | L296 E297 A298 L302 A303 Q304 E345 D349 | L296-R300 PolarHBondContact O-N 3.14Å; L296-R300 VanDerWaalsContact O-N 3.15Å; E297-R300 PolarHBondContact O-N 2.95Å; E297-R300 WeakPolarHBondContact OE2-CD 3.19Å; E297-R300 IonicContact OE2-CZ 2.69Å; E297-R300 IonicContact OE2-NH1 3.12Å; E297-R300 PolarHBondContact OE2-NH1 3.12Å; A298-R300 PolarHBondContact O-N 3.07Å; R300-L302 VanDerWaalsContact C-N 3.27Å; R300-L302 PolarHBondContact O-N 2.87Å; R300-A303 PolarHBondContact O-N 2.83Å; R300-Q304 WeakPolarHBondContact O-CB 3.29Å; R300-Q304 PolarHBondContact O-N 3.22Å; R300-E345 HydrophobicContact CG-CG 4.44Å; R300-D349 IonicContact CZ-OD1 2.88Å; R300-D349 IonicContact NE-OD1 2.7Å; R300-D349 PolarHBondContact NE-OD1 3.27Å; R300-D349 IonicContact NH2-OD1 3.23Å; R300-D349 PolarHBondContact NH2-OD1 2.98Å; R300-D349 IonicContact NH2-OD2 3.82Å |
| 301 | S | 85.2 | Confident | 83.7 | Confident | 23 Ų | 23 | 40.6 Ų | 40.6 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.4 | -30.8 | -177.8 | -165.7 | 0 | 0 | 0 | 0 | 112 | K276 E297 G305 | K276-S301 PolarHBondContact NZ-OG 2.99Å; E297-S301 WeakPolarHBondContact O-CB 3.4Å; E297-S301 PolarHBondContact O-N 3.3Å; S301-G305 PolarHBondContact O-N 3.19Å |
| 302 | L | 88.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.3 | -49.2 | 169.8 | -174.2 | 156.6 | 0 | 0 | 0 | 111.5 | L273 K276 L277 A298 R300 Q304 G305 A306 L377 I380 | L273-L302 HydrophobicContact CD2-CB 4.45Å; L273-L302 HydrophobicContact CD2-CG 4.38Å; K276-L302 HydrophobicContact CB-CB 4.28Å; K276-L302 HydrophobicContact CB-CD1 4.46Å; L277-L302 HydrophobicContact CB-CD1 3.71Å; L277-L302 HydrophobicContact CD1-CD1 4.05Å; L277-L302 HydrophobicContact CG-CD1 4.49Å; A298-L302 WeakPolarHBondContact O-CB 3.5Å; A298-L302 PolarHBondContact O-N 3.36Å; R300-L302 VanDerWaalsContact C-N 3.27Å; R300-L302 PolarHBondContact O-N 2.87Å; L302-Q304 PolarHBondContact O-N 3.31Å; L302-G305 PolarHBondContact O-N 2.96Å; L302-A306 VanDerWaalsContact O-CB 3.32Å; L302-A306 WeakPolarHBondContact O-CB 3.48Å; L302-A306 PolarHBondContact O-N 3.27Å; L302-L377 HydrophobicContact CD1-CD2 4.19Å; L302-L377 HydrophobicContact CD2-CD2 3.88Å; L302-I380 HydrophobicContact CD2-CB 4.49Å; L302-I380 HydrophobicContact CD2-CG2 3.81Å |
| 303 | A | 90.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C299 R300 R307 C341 E345 | C299-A303 WeakPolarHBondContact O-CB 3.14Å; C299-A303 PolarHBondContact O-N 3.05Å; R300-A303 PolarHBondContact O-N 2.83Å; A303-R307 WeakPolarHBondContact O-CG 2.79Å; A303-R307 PolarHBondContact O-N 3.21Å; A303-C341 HydrophobicContact CB-CB 3.97Å; A303-E345 HydrophobicContact CB-CG 3.77Å |
| 304 | Q | 86.7 | Confident | 81.8 | Confident | 130 Ų | 130 | 39.8 Ų | 39.8 | 61% | 0.607 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -65.9 | -44.8 | 174.5 | -172.7 | -179.6 | 8.1 | 0 | 0 | 112.1 | R300 L302 R307 S308 | R300-Q304 WeakPolarHBondContact O-CB 3.29Å; R300-Q304 PolarHBondContact O-N 3.22Å; L302-Q304 PolarHBondContact O-N 3.31Å; Q304-R307 PolarHBondContact O-N 3.04Å; Q304-S308 PolarHBondContact O-N 3.4Å |
| 305 | G | 81.7 | Confident | 80.3 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S301 L302 R307 S308 I309 | S301-G305 PolarHBondContact O-N 3.19Å; L302-G305 PolarHBondContact O-N 2.96Å; G305-R307 PolarHBondContact O-N 2.78Å; G305-S308 WeakPolarHBondContact O-CB 3.46Å; G305-S308 PolarHBondContact O-N 2.99Å; G305-S308 VanDerWaalsContact O-N 3.15Å; G305-I309 VanDerWaalsContact O-CG1 3.3Å; G305-I309 WeakPolarHBondContact O-CG1 3.41Å; G305-I309 PolarHBondContact O-N 3.35Å; G305-I309 VanDerWaalsContact O-N 3.17Å |
| 306 | A | 86.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.6 | -48.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L302 S308 I309 I310 I380 L384 | L302-A306 VanDerWaalsContact O-CB 3.32Å; L302-A306 WeakPolarHBondContact O-CB 3.48Å; L302-A306 PolarHBondContact O-N 3.27Å; A306-S308 VanDerWaalsContact C-N 3.34Å; A306-S308 PolarHBondContact O-N 2.98Å; A306-I309 WeakPolarHBondContact O-CB 3.33Å; A306-I309 PolarHBondContact O-N 3.1Å; A306-I310 WeakPolarHBondContact O-CG1 3.47Å; A306-I310 PolarHBondContact O-N 2.8Å; A306-I310 VanDerWaalsContact O-N 3.09Å; A306-I380 HydrophobicContact CB-CG2 3.58Å; A306-L384 HydrophobicContact CB-CD1 3.83Å; A306-L384 HydrophobicContact CB-CD2 4.16Å; A306-L384 HydrophobicContact CB-CG 4.32Å |
| 307 | R | 86.7 | Confident | 75.8 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 18% | 0.181 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -39 | 177.3 | -71.4 | -175.9 | -64.1 | -119.7 | -5.6 | 112.8 | A303 Q304 G305 I309 I310 M311 V338 C341 E345 | A303-R307 WeakPolarHBondContact O-CG 2.79Å; A303-R307 PolarHBondContact O-N 3.21Å; Q304-R307 PolarHBondContact O-N 3.04Å; G305-R307 PolarHBondContact O-N 2.78Å; R307-I309 VanDerWaalsContact C-N 3.29Å; R307-I309 PolarHBondContact O-N 3.49Å; R307-I310 PolarHBondContact O-N 2.95Å; R307-M311 WeakPolarHBondContact O-CB 3.31Å; R307-M311 VanDerWaalsContact O-CG 3.3Å; R307-M311 WeakPolarHBondContact O-CG 3.47Å; R307-M311 PolarHBondContact O-N 2.87Å; R307-V338 HydrophobicContact CG-CG1 4.41Å; R307-V338 HydrophobicContact CG-CG2 4.42Å; R307-C341 HydrophobicContact CG-CB 3.95Å; R307-E345 IonicContact CZ-OE1 2.68Å; R307-E345 IonicContact CZ-OE2 3.21Å; R307-E345 IonicContact NH1-OE1 3.01Å; R307-E345 IonicContact NH1-OE2 3.4Å; R307-E345 PolarHBondContact NH1-OE2 3.09Å; R307-E345 VanDerWaalsContact NH2-CD 3.31Å; R307-E345 IonicContact NH2-OE1 3.74Å; R307-E345 PolarHBondContact NH2-OE1 3.28Å; R307-E345 IonicContact NH2-OE2 2.78Å; R307-E345 PolarHBondContact NH2-OE2 3.02Å |
| 308 | S | 81.3 | Confident | 73.4 | Confident | 79 Ų | 79 | 55 Ų | 55 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61 | -39.1 | 177.1 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | Q304 G305 A306 S312 | Q304-S308 PolarHBondContact O-N 3.4Å; G305-S308 WeakPolarHBondContact O-CB 3.46Å; G305-S308 PolarHBondContact O-N 2.99Å; G305-S308 VanDerWaalsContact O-N 3.15Å; A306-S308 VanDerWaalsContact C-N 3.34Å; A306-S308 PolarHBondContact O-N 2.98Å; S308-S312 PolarHBondContact O-N 3.16Å; S308-S312 PolarHBondContact O-OG 2.72Å |
| 309 | I | 78.5 | Confident | 70.7 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | 178.4 | -62.2 | 168.2 | 0 | 0 | 0 | 111.4 | L273 G305 A306 R307 S312 S313 L384 L443 T447 | L273-I309 HydrophobicContact CD1-CD1 3.42Å; L273-I309 VanDerWaalsContact CD1-CD1 3.42Å; G305-I309 VanDerWaalsContact O-CG1 3.3Å; G305-I309 WeakPolarHBondContact O-CG1 3.41Å; G305-I309 PolarHBondContact O-N 3.35Å; G305-I309 VanDerWaalsContact O-N 3.17Å; A306-I309 WeakPolarHBondContact O-CB 3.33Å; A306-I309 PolarHBondContact O-N 3.1Å; R307-I309 VanDerWaalsContact C-N 3.29Å; R307-I309 PolarHBondContact O-N 3.49Å; I309-S312 PolarHBondContact O-N 3.23Å; I309-S312 PolarHBondContact O-OG 3Å; I309-S313 PolarHBondContact O-N 3.35Å; I309-S313 VanDerWaalsContact O-N 3.16Å; I309-S313 PolarHBondContact O-OG 2.92Å; I309-L384 HydrophobicContact CB-CD2 4Å; I309-L384 HydrophobicContact CD1-CD1 4.45Å; I309-L384 HydrophobicContact CD1-CD2 3.95Å; I309-L384 HydrophobicContact CG2-CD2 3.9Å; I309-L443 HydrophobicContact CB-CD1 4.02Å; I309-L443 HydrophobicContact CD1-CD1 3.48Å; I309-L443 VanDerWaalsContact CD1-CD1 3.48Å; I309-L443 HydrophobicContact CG1-CD1 3.37Å; I309-L443 HydrophobicContact CG2-CD1 3.51Å; I309-L443 HydrophobicContact CG2-CD2 4.11Å; I309-L443 HydrophobicContact CG2-CG 4.47Å; I309-T447 HydrophobicContact CD1-CG2 3.91Å |
| 310 | I | 81.9 | Confident | 68.1 | Low | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.046 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 178.6 | -66.1 | 162.8 | 0 | 0 | 0 | 110 | A306 R307 S312 S313 D314 N334 C337 V338 L387 | A306-I310 WeakPolarHBondContact O-CG1 3.47Å; A306-I310 PolarHBondContact O-N 2.8Å; A306-I310 VanDerWaalsContact O-N 3.09Å; R307-I310 PolarHBondContact O-N 2.95Å; I310-S312 PolarHBondContact O-N 3.41Å; I310-S313 WeakPolarHBondContact O-CB 3.43Å; I310-S313 PolarHBondContact O-N 3.2Å; I310-S313 VanDerWaalsContact O-N 3.14Å; I310-D314 PolarHBondContact O-N 2.81Å; I310-N334 HydrophobicContact CG2-CB 3.69Å; I310-C337 HydrophobicContact CD1-CB 3.87Å; I310-V338 HydrophobicContact CD1-CG2 4.27Å; I310-V338 HydrophobicContact CG2-CG2 4.24Å; I310-L387 HydrophobicContact CG1-CD1 3.95Å |
| 311 | M | 76.6 | Confident | 65.3 | Low | 133 Ų | 133 | 68.2 Ų | 68.2 | 66% | 0.655 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.7 | -37.6 | 177.8 | -72.9 | 177.6 | 171.4 | 0 | 0 | 113.3 | R307 S313 | R307-M311 WeakPolarHBondContact O-CB 3.31Å; R307-M311 VanDerWaalsContact O-CG 3.3Å; R307-M311 WeakPolarHBondContact O-CG 3.47Å; R307-M311 PolarHBondContact O-N 2.87Å; M311-S313 VanDerWaalsContact C-N 3.29Å; M311-S313 PolarHBondContact O-N 2.82Å |
| 312 | S | 68.5 | Low | 62.9 | Low | 64 Ų | 64 | 73.8 Ų | 73.8 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.2 | -31.5 | 176 | 71.2 | 0 | 0 | 0 | 0 | 112 | S308 I309 I310 S315 | S308-S312 PolarHBondContact O-N 3.16Å; S308-S312 PolarHBondContact O-OG 2.72Å; I309-S312 PolarHBondContact O-N 3.23Å; I309-S312 PolarHBondContact O-OG 3Å; I310-S312 PolarHBondContact O-N 3.41Å; S312-S315 PolarHBondContact O-OG 3.3Å |
| 313 | S | 64.3 | Low | 60.6 | Low | 26 Ų | 26 | 77.5 Ų | 77.5 | 18% | 0.182 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | I309 I310 M311 S315 | I309-S313 PolarHBondContact O-N 3.35Å; I309-S313 VanDerWaalsContact O-N 3.16Å; I309-S313 PolarHBondContact O-OG 2.92Å; I310-S313 WeakPolarHBondContact O-CB 3.43Å; I310-S313 PolarHBondContact O-N 3.2Å; I310-S313 VanDerWaalsContact O-N 3.14Å; M311-S313 VanDerWaalsContact C-N 3.29Å; M311-S313 PolarHBondContact O-N 2.82Å; S313-S315 PolarHBondContact O-N 3.04Å |
| 314 | D | 57.8 | Low | 58.2 | Low | 94 Ų | 94 | 82.8 Ų | 82.8 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.8 | -178.7 | -145.4 | 47.6 | 0 | 0 | 0 | 112.9 | I310 G316 K331 | I310-D314 PolarHBondContact O-N 2.81Å; D314-G316 PolarHBondContact O-N 2.7Å; D314-K331 IonicContact OD2-NZ 2.92Å |
| 315 | S | 47.5 | Very low | 56.1 | Low | 101 Ų | 101 | 83 Ų | 83 | 71% | 0.706 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -4.2 | -175 | 73 | 0 | 0 | 0 | 0 | 115.7 | S312 S313 | S312-S315 PolarHBondContact O-OG 3.3Å; S313-S315 PolarHBondContact O-N 3.04Å |
| 316 | G | 40.9 | Very low | 54.4 | Low | 61 Ų | 61 | 85.4 Ų | 85.4 | 63% | 0.629 | 50% | 0.501 | S | S | * | . | trans | -96.9 | -22.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | D314 V318 | D314-G316 PolarHBondContact O-N 2.7Å; G316-V318 PolarHBondContact O-N 3.38Å | ||
| 317 | D | 36.8 | Very low | 52.8 | Low | 145 Ų | 145 | 88.5 Ų | 88.5 | 78% | 0.775 | 52% | 0.523 | S | S | * | . | trans | -87.7 | 107.4 | -171.1 | -82.9 | -28.7 | 0 | 0 | 0 | 112.5 | ||||
| 318 | V | 34.7 | Very low | 51.3 | Low | 124 Ų | 124 | 89.6 Ų | 89.6 | 75% | 0.752 | 54% | 0.535 | S | S | * | . | trans | -59.5 | 132.4 | 151.1 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | G316 D320 | G316-V318 PolarHBondContact O-N 3.38Å; V318-D320 PolarHBondContact O-N 3.11Å | ||
| 319 | P | 29.7 | Very low | 50.3 | Low | 111 Ų | 111 | 92.7 Ų | 92.7 | 72% | 0.721 | 54% | 0.541 | S | S | * | . | trans | -68.1 | 92.7 | -175.1 | 26.3 | -34.8 | 0 | 0 | 0 | 111.8 | N321 | P319-N321 PolarHBondContact O-N 3.49Š| ||
| 320 | D | 35.9 | Very low | 49.8 | Very low | 112 Ų | 112 | 93.5 Ų | 93.5 | 60% | 0.599 | 55% | 0.545 | S | S | * | . | trans | -68.3 | 83.1 | 168.9 | -142.8 | 19.7 | 0 | 0 | 0 | 107.3 | V318 N322 R545 | V318-D320 PolarHBondContact O-N 3.11Å; D320-N322 PolarHBondContact O-N 3.05Å; D320-R545 IonicContact OD2-CZ 3.94Å; D320-R545 IonicContact OD2-NE 2.74Å; D320-R545 IonicContact OD2-NH2 3.67Å; D320-R545 PolarHBondContact OD2-NH2 3.04Å | ||
| 321 | N | 32.2 | Very low | 49.6 | Very low | 136 Ų | 136 | 97.5 Ų | 97.5 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 43.7 | -157.2 | -171.4 | 46 | 0 | 0 | 0 | 115.3 | P319 | P319-N321 PolarHBondContact O-N 3.49Š|
| 322 | N | 34.7 | Very low | 49.8 | Very low | 140 Ų | 140 | 97.5 Ų | 97.5 | 75% | 0.749 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.4 | 25.6 | -173.4 | -101.7 | -34.9 | 0 | 0 | 0 | 115 | D320 | D320-N322 PolarHBondContact O-N 3.05Š|
| 323 | N | 39.8 | Very low | 50.5 | Low | 79 Ų | 79 | 96.4 Ų | 96.4 | 42% | 0.422 | 55% | 0.552 | S | S | . | * | trans | -149.4 | 64.2 | 174.4 | -98.9 | -47.3 | 0 | 0 | 0 | 113.4 | N325 | N323-N325 PolarHBondContact O-N 3.01Å; N323-N325 VanDerWaalsContact O-N 3.11Å | ||
| 324 | N | 39 | Very low | 51.5 | Low | 111 Ų | 111 | 95.6 Ų | 95.6 | 59% | 0.594 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.2 | -8.9 | -169.2 | -64.3 | -11.3 | 0 | 0 | 0 | 116 | T328 | N324-T328 PolarHBondContact O-OG1 3.19Å |
| 325 | N | 43.8 | Very low | 53 | Low | 135 Ų | 135 | 95.6 Ų | 95.6 | 72% | 0.722 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -86.9 | -40.9 | -172.7 | -68.9 | 11.9 | 0 | 0 | 0 | 113.3 | N323 E329 | N323-N325 PolarHBondContact O-N 3.01Å; N323-N325 VanDerWaalsContact O-N 3.11Å; N325-E329 PolarHBondContact O-N 3.48Å |
| 326 | S | 45 | Very low | 55 | Low | 70 Ų | 70 | 92.6 Ų | 92.6 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -79.4 | -32.4 | -175.8 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | T328 D330 | S326-T328 VanDerWaalsContact C-N 3.34Å; S326-D330 PolarHBondContact O-N 3.44Å |
| 327 | S | 52.7 | Low | 57.4 | Low | 65 Ų | 65 | 89.7 Ų | 89.7 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -34.5 | 176 | 46.2 | 0 | 0 | 0 | 0 | 112 | K331 | S327-K331 VanDerWaalsContact O-CB 3.24Å; S327-K331 WeakPolarHBondContact O-CB 3.38Å; S327-K331 PolarHBondContact O-N 2.96Å |
| 328 | T | 55.6 | Low | 60 | Low | 72 Ų | 72 | 84.4 Ų | 84.4 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.5 | -47.9 | 178.5 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | N324 S326 K331 E332 | N324-T328 PolarHBondContact O-OG1 3.19Å; S326-T328 VanDerWaalsContact C-N 3.34Å; T328-K331 PolarHBondContact O-N 3.29Å; T328-E332 WeakPolarHBondContact O-CG 3.29Å; T328-E332 PolarHBondContact O-N 3.17Å |
| 329 | E | 59.6 | Low | 62.8 | Low | 144 Ų | 144 | 85 Ų | 85 | 67% | 0.673 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.7 | -47.1 | 177 | -73 | -171.2 | 176 | 0 | 0 | 112.6 | N325 K331 E332 T333 | N325-E329 PolarHBondContact O-N 3.48Å; E329-K331 VanDerWaalsContact C-N 3.29Å; E329-K331 PolarHBondContact O-N 2.93Å; E329-E332 PolarHBondContact O-N 3.14Å; E329-T333 WeakPolarHBondContact O-CG2 3.06Å; E329-T333 PolarHBondContact O-N 3.41Å; E329-T333 PolarHBondContact O-OG1 3.19Å |
| 330 | D | 68.3 | Low | 65.8 | Low | 31 Ų | 31 | 80.3 Ų | 80.3 | 17% | 0.166 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 179 | -86.8 | -23.1 | 0 | 0 | 0 | 111.1 | S326 T333 N334 K386 R390 | S326-D330 PolarHBondContact O-N 3.44Å; D330-T333 PolarHBondContact O-N 2.83Å; D330-T333 PolarHBondContact O-OG1 3.15Å; D330-N334 VanDerWaalsContact O-CG 3.29Å; D330-N334 PolarHBondContact O-N 2.89Å; D330-K386 IonicContact OD1-NZ 2.63Å; D330-K386 PolarHBondContact OD1-NZ 3.06Å; D330-R390 IonicContact OD2-CZ 3.67Å; D330-R390 IonicContact OD2-NE 2.74Å; D330-R390 IonicContact OD2-NH1 3.42Å; D330-R390 PolarHBondContact OD2-NH1 3.44Å |
| 331 | K | 77.4 | Confident | 68.6 | Low | 93 Ų | 93 | 75 Ų | 75 | 40% | 0.404 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 174.6 | -176.3 | 167.3 | -172.2 | 113.2 | 0 | 113.1 | D314 S327 T328 E329 T333 N334 D335 | D314-K331 IonicContact OD2-NZ 2.92Å; S327-K331 VanDerWaalsContact O-CB 3.24Å; S327-K331 WeakPolarHBondContact O-CB 3.38Å; S327-K331 PolarHBondContact O-N 2.96Å; T328-K331 PolarHBondContact O-N 3.29Å; E329-K331 VanDerWaalsContact C-N 3.29Å; E329-K331 PolarHBondContact O-N 2.93Å; K331-T333 PolarHBondContact O-N 2.94Å; K331-N334 WeakPolarHBondContact O-CB 3.45Å; K331-N334 PolarHBondContact O-N 3.4Å; K331-D335 PolarHBondContact O-N 3.31Å |
| 332 | E | 81.4 | Confident | 71.6 | Confident | 133 Ų | 133 | 73 Ų | 73 | 62% | 0.621 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.6 | -38 | 175.8 | -74.1 | -179.9 | -170.7 | 0 | 0 | 111.6 | T328 E329 A336 | T328-E332 WeakPolarHBondContact O-CG 3.29Å; T328-E332 PolarHBondContact O-N 3.17Å; E329-E332 PolarHBondContact O-N 3.14Å; E332-A336 WeakPolarHBondContact O-CB 3.13Å; E332-A336 PolarHBondContact O-N 3.38Å |
| 333 | T | 84.2 | Confident | 74.4 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 26% | 0.258 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.3 | -32.4 | 174.3 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | E329 D330 K331 C337 | E329-T333 WeakPolarHBondContact O-CG2 3.06Å; E329-T333 PolarHBondContact O-N 3.41Å; E329-T333 PolarHBondContact O-OG1 3.19Å; D330-T333 PolarHBondContact O-N 2.83Å; D330-T333 PolarHBondContact O-OG1 3.15Å; K331-T333 PolarHBondContact O-N 2.94Å; T333-C337 VanDerWaalsContact O-CB 3.3Å; T333-C337 WeakPolarHBondContact O-CB 3.38Å; T333-C337 PolarHBondContact O-N 3.11Å; T333-C337 VanDerWaalsContact O-N 3.09Å |
| 334 | N | 85.4 | Confident | 77.1 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.048 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.8 | -49.5 | 173.7 | -75.7 | -15.2 | 0 | 0 | 0 | 111 | I310 D330 K331 A336 C337 V338 | I310-N334 HydrophobicContact CG2-CB 3.69Å; D330-N334 VanDerWaalsContact O-CG 3.29Å; D330-N334 PolarHBondContact O-N 2.89Å; K331-N334 WeakPolarHBondContact O-CB 3.45Å; K331-N334 PolarHBondContact O-N 3.4Å; N334-A336 PolarHBondContact O-N 2.97Å; N334-C337 WeakPolarHBondContact O-CB 3.47Å; N334-C337 PolarHBondContact O-N 2.97Å; N334-C337 VanDerWaalsContact O-N 3.11Å; N334-V338 WeakPolarHBondContact O-CG2 3.44Å; N334-V338 PolarHBondContact O-N 3.37Å |
| 335 | D | 87.9 | Confident | 79.6 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | -179.5 | -70.9 | -25.4 | 0 | 0 | 0 | 111.1 | K331 C337 V338 E339 | K331-D335 PolarHBondContact O-N 3.31Å; D335-C337 VanDerWaalsContact C-N 3.3Å; D335-C337 PolarHBondContact O-N 2.87Å; D335-V338 PolarHBondContact O-N 2.71Å; D335-V338 VanDerWaalsContact O-N 3.15Å; D335-E339 PolarHBondContact O-N 2.76Å |
| 336 | A | 90.9 | Very high | 82 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 31% | 0.314 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.1 | -32.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | E332 N334 A340 Y379 | E332-A336 WeakPolarHBondContact O-CB 3.13Å; E332-A336 PolarHBondContact O-N 3.38Å; N334-A336 PolarHBondContact O-N 2.97Å; A336-A340 WeakPolarHBondContact O-CB 3.46Å; A336-A340 PolarHBondContact O-N 2.92Å; A336-Y379 HydrophobicContact CB-CE1 4.45Å |
| 337 | C | 90.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.7 | -31.4 | 174.5 | -169.9 | 0 | 0 | 0 | 0 | 112.4 | I310 T333 N334 D335 A340 C341 Y379 T383 | I310-C337 HydrophobicContact CD1-CB 3.87Å; T333-C337 VanDerWaalsContact O-CB 3.3Å; T333-C337 WeakPolarHBondContact O-CB 3.38Å; T333-C337 PolarHBondContact O-N 3.11Å; T333-C337 VanDerWaalsContact O-N 3.09Å; N334-C337 WeakPolarHBondContact O-CB 3.47Å; N334-C337 PolarHBondContact O-N 2.97Å; N334-C337 VanDerWaalsContact O-N 3.11Å; D335-C337 VanDerWaalsContact C-N 3.3Å; D335-C337 PolarHBondContact O-N 2.87Å; C337-A340 PolarHBondContact O-N 3.45Å; C337-C341 PolarHBondContact O-N 3.09Å; C337-C341 PolarHBondContact O-SG 3.3Å; C337-Y379 HydrophobicContact CB-CE1 4.25Å; C337-T383 HydrophobicContact CB-CG2 3.88Å |
| 338 | V | 91.6 | Very high | 86.2 | Confident | 34 Ų | 34 | 57 Ų | 57 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 171.1 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | R307 I310 N334 D335 A340 C341 E342 | R307-V338 HydrophobicContact CG-CG1 4.41Å; R307-V338 HydrophobicContact CG-CG2 4.42Å; I310-V338 HydrophobicContact CD1-CG2 4.27Å; I310-V338 HydrophobicContact CG2-CG2 4.24Å; N334-V338 WeakPolarHBondContact O-CG2 3.44Å; N334-V338 PolarHBondContact O-N 3.37Å; D335-V338 PolarHBondContact O-N 2.71Å; D335-V338 VanDerWaalsContact O-N 3.15Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 3.34Å; V338-C341 WeakPolarHBondContact O-CB 3.31Å; V338-C341 PolarHBondContact O-N 3.02Å; V338-C341 VanDerWaalsContact O-N 3.12Å; V338-E342 PolarHBondContact O-N 3.29Å; V338-E342 VanDerWaalsContact O-N 3.09Å |
| 339 | E | 93.2 | Very high | 88 | Confident | 137 Ų | 137 | 57 Ų | 57 | 64% | 0.64 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.2 | -42.3 | 173.3 | -170.3 | -172.9 | 173.7 | 0 | 0 | 111.4 | D335 C341 E342 H343 | D335-E339 PolarHBondContact O-N 2.76Å; E339-C341 VanDerWaalsContact C-N 3.31Å; E339-C341 PolarHBondContact O-N 2.99Å; E339-E342 PolarHBondContact O-N 3.25Å; E339-H343 WeakPolarHBondContact O-CB 3.21Å; E339-H343 PolarHBondContact O-N 3.48Å |
| 340 | A | 93.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A336 C337 V338 H343 V344 Y379 I380 | A336-A340 WeakPolarHBondContact O-CB 3.46Å; A336-A340 PolarHBondContact O-N 2.92Å; C337-A340 PolarHBondContact O-N 3.45Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 3.34Å; A340-H343 WeakPolarHBondContact O-CB 3.4Å; A340-H343 PolarHBondContact O-N 3.49Å; A340-V344 WeakPolarHBondContact O-CG2 3.5Å; A340-V344 PolarHBondContact O-N 2.99Å; A340-Y379 HydrophobicContact CB-CD1 3.88Å; A340-Y379 HydrophobicContact CB-CE1 4.34Å; A340-I380 HydrophobicContact CB-CD1 4.17Å; A340-I380 HydrophobicContact CB-CG1 3.82Å |
| 341 | C | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 174.9 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | A303 R307 C337 V338 E339 H343 V344 E345 I380 | A303-C341 HydrophobicContact CB-CB 3.97Å; R307-C341 HydrophobicContact CG-CB 3.95Å; C337-C341 PolarHBondContact O-N 3.09Å; C337-C341 PolarHBondContact O-SG 3.3Å; V338-C341 WeakPolarHBondContact O-CB 3.31Å; V338-C341 PolarHBondContact O-N 3.02Å; V338-C341 VanDerWaalsContact O-N 3.12Å; E339-C341 VanDerWaalsContact C-N 3.31Å; E339-C341 PolarHBondContact O-N 2.99Å; C341-H343 VanDerWaalsContact C-N 3.3Å; C341-H343 PolarHBondContact O-N 2.82Å; C341-V344 PolarHBondContact O-N 2.75Å; C341-E345 PolarHBondContact O-N 2.86Å; C341-I380 HydrophobicContact CB-CD1 4.47Å |
| 342 | E | 94.3 | Very high | 91.1 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.9 | -34.2 | 174.1 | -60.2 | -171.3 | -175.3 | 0 | 0 | 112.6 | V338 E339 R346 | V338-E342 PolarHBondContact O-N 3.29Å; V338-E342 VanDerWaalsContact O-N 3.09Å; E339-E342 PolarHBondContact O-N 3.25Å; E342-R346 WeakPolarHBondContact O-CB 3.42Å; E342-R346 PolarHBondContact O-N 3.08Å; E342-R346 VanDerWaalsContact O-N 3.08Å; E342-R346 IonicContact OE2-NH2 3.11Å; E342-R346 PolarHBondContact OE2-NH2 2.76Å |
| 343 | H | 95.2 | Very high | 91.4 | Very high | 65 Ų | 65 | 50.4 Ų | 50.4 | 30% | 0.301 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.8 | -171.6 | 104 | 0 | 0 | 0 | 111.2 | E339 A340 C341 V347 S376 | E339-H343 WeakPolarHBondContact O-CB 3.21Å; E339-H343 PolarHBondContact O-N 3.48Å; A340-H343 WeakPolarHBondContact O-CB 3.4Å; A340-H343 PolarHBondContact O-N 3.49Å; C341-H343 VanDerWaalsContact C-N 3.3Å; C341-H343 PolarHBondContact O-N 2.82Å; H343-V347 VanDerWaalsContact O-CB 3.25Å; H343-V347 WeakPolarHBondContact O-CB 3.36Å; H343-V347 VanDerWaalsContact O-CG2 3.22Å; H343-V347 WeakPolarHBondContact O-CG2 3.43Å; H343-V347 PolarHBondContact O-N 2.82Å; H343-S376 PolarHBondContact CD2-OG 3.33Å |
| 344 | V | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.7 | -55.6 | 177.2 | 164.8 | 0 | 0 | 0 | 0 | 110.8 | C299 A340 C341 V347 S348 I373 L377 I380 | C299-V344 HydrophobicContact CB-CG1 3.72Å; A340-V344 WeakPolarHBondContact O-CG2 3.5Å; A340-V344 PolarHBondContact O-N 2.99Å; C341-V344 PolarHBondContact O-N 2.75Å; V344-V347 PolarHBondContact O-N 2.76Å; V344-S348 VanDerWaalsContact O-CB 3.23Å; V344-S348 WeakPolarHBondContact O-CB 3.39Å; V344-S348 PolarHBondContact O-N 2.67Å; V344-S348 PolarHBondContact O-OG 3.47Å; V344-I373 HydrophobicContact CG1-CG2 4.24Å; V344-I373 HydrophobicContact CG2-CG2 4.38Å; V344-L377 HydrophobicContact CG1-CD2 3.87Å; V344-L377 HydrophobicContact CG1-CG 4.39Å; V344-L377 HydrophobicContact CG2-CD2 3.95Å; V344-L377 HydrophobicContact CG2-CG 3.99Å; V344-I380 HydrophobicContact CG2-CD1 3.72Å |
| 345 | E | 93 | Very high | 91.3 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | -176.3 | -66.4 | 170.5 | 142.2 | 0 | 0 | 112.3 | R300 A303 R307 C341 V347 S348 D349 | R300-E345 HydrophobicContact CG-CG 4.44Å; A303-E345 HydrophobicContact CB-CG 3.77Å; R307-E345 IonicContact CZ-OE1 2.68Å; R307-E345 IonicContact CZ-OE2 3.21Å; R307-E345 IonicContact NH1-OE1 3.01Å; R307-E345 IonicContact NH1-OE2 3.4Å; R307-E345 PolarHBondContact NH1-OE2 3.09Å; R307-E345 VanDerWaalsContact NH2-CD 3.31Å; R307-E345 IonicContact NH2-OE1 3.74Å; R307-E345 PolarHBondContact NH2-OE1 3.28Å; R307-E345 IonicContact NH2-OE2 2.78Å; R307-E345 PolarHBondContact NH2-OE2 3.02Å; C341-E345 PolarHBondContact O-N 2.86Å; E345-V347 VanDerWaalsContact C-N 3.26Å; E345-V347 PolarHBondContact O-N 3.05Å; E345-S348 WeakPolarHBondContact CA-OG 3.2Å; E345-S348 PolarHBondContact O-N 3.05Å; E345-S348 PolarHBondContact O-OG 3.12Å; E345-D349 PolarHBondContact O-N 2.76Å; E345-D349 VanDerWaalsContact O-N 3.07Å |
| 346 | R | 93.6 | Very high | 90.8 | Very high | 134 Ų | 134 | 48.4 Ų | 48.4 | 51% | 0.506 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.9 | -29.1 | -175.8 | -158.8 | -168.9 | -46.9 | 110 | -8.8 | 112.4 | E342 | E342-R346 WeakPolarHBondContact O-CB 3.42Å; E342-R346 PolarHBondContact O-N 3.08Å; E342-R346 VanDerWaalsContact O-N 3.08Å; E342-R346 IonicContact OE2-NH2 3.11Å; E342-R346 PolarHBondContact OE2-NH2 2.76Å |
| 347 | V | 93.6 | Very high | 90.2 | Very high | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -93.5 | -30.6 | 179.2 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | H343 V344 E345 R350 L351 L369 I373 | H343-V347 VanDerWaalsContact O-CB 3.25Å; H343-V347 WeakPolarHBondContact O-CB 3.36Å; H343-V347 VanDerWaalsContact O-CG2 3.22Å; H343-V347 WeakPolarHBondContact O-CG2 3.43Å; H343-V347 PolarHBondContact O-N 2.82Å; V344-V347 PolarHBondContact O-N 2.76Å; E345-V347 VanDerWaalsContact C-N 3.26Å; E345-V347 PolarHBondContact O-N 3.05Å; V347-R350 PolarHBondContact O-N 3.32Å; V347-L351 PolarHBondContact O-N 3.01Å; V347-L369 HydrophobicContact CG1-CB 4.43Å; V347-L369 HydrophobicContact CG1-CD2 3.75Å; V347-I373 HydrophobicContact CB-CD1 4.47Å; V347-I373 HydrophobicContact CB-CG1 3.96Å; V347-I373 HydrophobicContact CG1-CD1 3.98Å; V347-I373 HydrophobicContact CG1-CG1 3.62Å |
| 348 | S | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 173.4 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | L296 V344 E345 R350 L351 F352 | L296-S348 WeakPolarHBondContact CD1-OG 3.2Å; V344-S348 VanDerWaalsContact O-CB 3.23Å; V344-S348 WeakPolarHBondContact O-CB 3.39Å; V344-S348 PolarHBondContact O-N 2.67Å; V344-S348 PolarHBondContact O-OG 3.47Å; E345-S348 WeakPolarHBondContact CA-OG 3.2Å; E345-S348 PolarHBondContact O-N 3.05Å; E345-S348 PolarHBondContact O-OG 3.12Å; S348-R350 VanDerWaalsContact C-N 3.25Å; S348-R350 PolarHBondContact O-N 3.14Å; S348-L351 PolarHBondContact O-N 3.46Å; S348-F352 WeakPolarHBondContact O-CB 3.39Å; S348-F352 PolarHBondContact O-N 3.06Å |
| 349 | D | 91.8 | Very high | 87.8 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 174.3 | -78.7 | -2.5 | 0 | 0 | 0 | 111.5 | R300 E345 S353 | R300-D349 IonicContact CZ-OD1 2.88Å; R300-D349 IonicContact NE-OD1 2.7Å; R300-D349 PolarHBondContact NE-OD1 3.27Å; R300-D349 IonicContact NH2-OD1 3.23Å; R300-D349 PolarHBondContact NH2-OD1 2.98Å; R300-D349 IonicContact NH2-OD2 3.82Å; E345-D349 PolarHBondContact O-N 2.76Å; E345-D349 VanDerWaalsContact O-N 3.07Å; D349-S353 WeakPolarHBondContact O-CB 3.44Å; D349-S353 PolarHBondContact O-N 3.41Å; D349-S353 VanDerWaalsContact O-N 3.07Å; D349-S353 PolarHBondContact O-OG 3.17Å |
| 350 | R | 90.5 | Very high | 86 | Confident | 160 Ų | 160 | 58.6 Ų | 58.6 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.2 | -42.6 | 175 | -174.3 | 176.8 | 178.4 | 179.9 | -1.2 | 112.4 | V347 S348 S353 M354 | V347-R350 PolarHBondContact O-N 3.32Å; S348-R350 VanDerWaalsContact C-N 3.25Å; S348-R350 PolarHBondContact O-N 3.14Å; R350-S353 PolarHBondContact O-OG 3.25Å; R350-M354 WeakPolarHBondContact O-CB 3.2Å; R350-M354 PolarHBondContact O-N 2.97Å; R350-M354 VanDerWaalsContact O-N 3.12Å |
| 351 | L | 90.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.9 | 177.5 | 59 | 0 | 0 | 0 | 111 | W283 L284 P287 V347 S348 M354 S355 Q366 L369 A370 I373 | W283-L351 HydrophobicContact CH2-CB 4.42Å; W283-L351 HydrophobicContact CH2-CD2 4.21Å; W283-L351 HydrophobicContact CH2-CG 4.42Å; W283-L351 HydrophobicContact CZ2-CB 4.48Å; W283-L351 HydrophobicContact CZ2-CD2 4.11Å; W283-L351 HydrophobicContact CZ2-CG 4.11Å; L284-L351 HydrophobicContact CD2-CD2 3.63Å; P287-L351 HydrophobicContact CB-CD1 4.05Å; P287-L351 HydrophobicContact CB-CD2 4.18Å; P287-L351 HydrophobicContact CB-CG 4.21Å; P287-L351 HydrophobicContact CG-CD1 4.47Å; P287-L351 HydrophobicContact CG-CD2 4.32Å; V347-L351 PolarHBondContact O-N 3.01Å; S348-L351 PolarHBondContact O-N 3.46Å; L351-M354 CarbonylContact O-C 3.57Å; L351-M354 PolarHBondContact O-N 2.69Å; L351-S355 WeakPolarHBondContact O-CB 3.46Å; L351-S355 PolarHBondContact O-N 3.29Å; L351-S355 PolarHBondContact O-OG 3.2Å; L351-Q366 HydrophobicContact CD1-CB 4.16Å; L351-Q366 HydrophobicContact CD1-CG 4.47Å; L351-L369 HydrophobicContact CB-CB 4.5Å; L351-L369 HydrophobicContact CD1-CB 4.22Å; L351-A370 HydrophobicContact CD2-CB 3.89Å; L351-I373 HydrophobicContact CB-CD1 4.06Å; L351-I373 HydrophobicContact CD2-CD1 3.7Å |
| 352 | F | 89 | Confident | 82.9 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 17% | 0.171 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | -179.6 | -178.4 | -87 | 0 | 0 | 0 | 113 | W283 R292 H293 L296 S348 M354 S355 S356 | W283-F352 HydrophobicContact CH2-CB 4.31Å; W283-F352 HydrophobicContact CZ2-CB 4.01Å; W283-F352 HydrophobicContact CZ2-CD2 4.34Å; R292-F352 HydrophobicContact CB-CD2 4.29Å; R292-F352 HydrophobicContact CB-CE2 4.15Å; R292-F352 HydrophobicContact CG-CE2 3.92Å; H293-F352 AromaticContact CE1-CZ 3.66Å; H293-F352 AromaticContact ND1-CE2 3.96Å; H293-F352 AromaticContact ND1-CZ 3.63Å; L296-F352 HydrophobicContact CB-CD2 4.13Å; L296-F352 HydrophobicContact CD1-CB 4.33Å; L296-F352 HydrophobicContact CD2-CB 4Å; L296-F352 HydrophobicContact CD2-CD1 4.01Å; L296-F352 HydrophobicContact CD2-CD2 3.76Å; L296-F352 HydrophobicContact CD2-CE1 4.44Å; L296-F352 HydrophobicContact CD2-CE2 4.19Å; L296-F352 HydrophobicContact CD2-CG 3.66Å; L296-F352 HydrophobicContact CG-CD2 4.49Å; S348-F352 WeakPolarHBondContact O-CB 3.39Å; S348-F352 PolarHBondContact O-N 3.06Å; F352-M354 PolarHBondContact O-N 3.31Å; F352-S355 PolarHBondContact O-N 2.94Å; F352-S355 PolarHBondContact O-OG 3.33Å; F352-S356 WeakPolarHBondContact O-CB 3.32Å; F352-S356 PolarHBondContact O-N 2.8Å; F352-S356 VanDerWaalsContact O-N 3.11Å; F352-S356 PolarHBondContact O-OG 3.05Å |
| 353 | S | 87.8 | Confident | 81.4 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.1 | -22.5 | 175.9 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | D349 R350 Q357 | D349-S353 WeakPolarHBondContact O-CB 3.44Å; D349-S353 PolarHBondContact O-N 3.41Å; D349-S353 VanDerWaalsContact O-N 3.07Å; D349-S353 PolarHBondContact O-OG 3.17Å; R350-S353 PolarHBondContact O-OG 3.25Å; S353-Q357 PolarHBondContact O-NE2 3.31Å |
| 354 | M | 85.3 | Confident | 80.2 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -87.6 | -35.6 | 175.4 | -172.7 | 170.6 | 177.6 | 0 | 0 | 113 | R350 L351 F352 S356 Q357 N362 N365 Q366 L369 | R350-M354 WeakPolarHBondContact O-CB 3.2Å; R350-M354 PolarHBondContact O-N 2.97Å; R350-M354 VanDerWaalsContact O-N 3.12Å; L351-M354 CarbonylContact O-C 3.57Å; L351-M354 PolarHBondContact O-N 2.69Å; F352-M354 PolarHBondContact O-N 3.31Å; M354-S356 VanDerWaalsContact C-N 3.3Å; M354-Q357 PolarHBondContact O-N 2.96Å; M354-N362 HydrophobicContact CE-CB 3.66Å; M354-N365 HydrophobicContact CE-CB 3.55Å; M354-Q366 HydrophobicContact CE-CG 4.11Å; M354-Q366 HydrophobicContact CG-CG 4.08Å; M354-Q366 PolarHBondContact O-NE2 3.29Å; M354-Q366 HydrophobicContact SD-CG 4.32Å; M354-L369 HydrophobicContact SD-CD1 3.77Å |
| 355 | S | 83.2 | Confident | 79.5 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -73.7 | -23.3 | 176.4 | 73.6 | 0 | 0 | 0 | 0 | 112.7 | P287 R288 L351 F352 Q357 | P287-S355 WeakPolarHBondContact O-CB 3.34Å; P287-S355 PolarHBondContact O-OG 2.88Å; R288-S355 PolarHBondContact NH1-O 2.93Å; L351-S355 WeakPolarHBondContact O-CB 3.46Å; L351-S355 PolarHBondContact O-N 3.29Å; L351-S355 PolarHBondContact O-OG 3.2Å; F352-S355 PolarHBondContact O-N 2.94Å; F352-S355 PolarHBondContact O-OG 3.33Å; S355-Q357 PolarHBondContact O-N 2.67Å |
| 356 | S | 77.9 | Confident | 79 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.5 | 171.5 | -58.3 | 0 | 0 | 0 | 0 | 114.4 | F352 M354 | F352-S356 WeakPolarHBondContact O-CB 3.32Å; F352-S356 PolarHBondContact O-N 2.8Å; F352-S356 VanDerWaalsContact O-N 3.11Å; F352-S356 PolarHBondContact O-OG 3.05Å; M354-S356 VanDerWaalsContact C-N 3.3Å |
| 357 | Q | 78.3 | Confident | 78.5 | Confident | 114 Ų | 114 | 73.2 Ų | 73.2 | 53% | 0.533 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -94.4 | 148.4 | -179 | -65.1 | 175.8 | 32.5 | 0 | 0 | 111.6 | R288 S353 M354 S355 | R288-Q357 PolarHBondContact NH1-O 3.25Å; R288-Q357 PolarHBondContact NH2-O 2.85Å; S353-Q357 PolarHBondContact O-NE2 3.31Å; M354-Q357 PolarHBondContact O-N 2.96Å; S355-Q357 PolarHBondContact O-N 2.67Å |
| 358 | P | 68.3 | Low | 78.2 | Confident | 107 Ų | 107 | 76.8 Ų | 76.8 | 70% | 0.695 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 152.5 | 178.9 | 24.4 | -34.6 | 0 | 0 | 0 | 112 | T360 | P358-T360 PolarHBondContact O-N 3.42Š|
| 359 | L | 62.7 | Low | 78 | Confident | 117 Ų | 117 | 78.1 Ų | 78.1 | 61% | 0.613 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 126.8 | -174.7 | -80.6 | 77.5 | 0 | 0 | 0 | 110.9 | E363 | L359-E363 WeakPolarHBondContact CD2-OE1 3.43Š|
| 360 | T | 56.2 | Low | 78 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | trans | -137.1 | 178.3 | 171.8 | 51.1 | 0 | 0 | 0 | 0 | 106.8 | P358 N362 | P358-T360 PolarHBondContact O-N 3.42Å; T360-N362 PolarHBondContact O-N 3.49Å; T360-N362 PolarHBondContact OG1-ND2 3.02Å; T360-N362 VanDerWaalsContact OG1-ND2 3.14Å | ||
| 361 | E | 57.8 | Low | 77.9 | Confident | 194 Ų | 194 | 68.1 Ų | 68.1 | 91% | 0.907 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 12 | -177.1 | -56.9 | 178.8 | 134.2 | 0 | 0 | 115.5 | ||
| 362 | N | 63.2 | Low | 77.9 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 33% | 0.332 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 3.8 | -175.3 | -84.3 | -63.4 | 0 | 0 | 0 | 115.5 | M354 T360 I364 N365 Q366 | M354-N362 HydrophobicContact CE-CB 3.66Å; T360-N362 PolarHBondContact O-N 3.49Å; T360-N362 PolarHBondContact OG1-ND2 3.02Å; T360-N362 VanDerWaalsContact OG1-ND2 3.14Å; N362-I364 VanDerWaalsContact C-N 3.29Å; N362-I364 PolarHBondContact O-N 3.12Å; N362-N365 WeakPolarHBondContact O-CB 3.32Å; N362-N365 PolarHBondContact O-N 2.95Å; N362-N365 VanDerWaalsContact O-N 3.09Å; N362-N365 PolarHBondContact OD1-ND2 3.25Å; N362-Q366 PolarHBondContact O-N 3.1Å |
| 363 | E | 64.3 | Low | 78.1 | Confident | 113 Ų | 113 | 67.6 Ų | 67.6 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59 | -39 | -178 | -64 | -169.7 | 138.6 | 0 | 0 | 112.8 | L359 N365 Q366 Q367 | L359-E363 WeakPolarHBondContact CD2-OE1 3.43Å; E363-N365 VanDerWaalsContact C-N 3.33Å; E363-N365 PolarHBondContact O-N 2.75Å; E363-Q366 PolarHBondContact O-N 3.27Å; E363-Q366 VanDerWaalsContact O-N 3.13Å; E363-Q367 PolarHBondContact O-N 2.68Å |
| 364 | I | 69.2 | Low | 78.3 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.2 | -47.1 | 174.8 | -59.7 | 172.4 | 0 | 0 | 0 | 110.2 | N362 Q366 Q367 D368 | N362-I364 VanDerWaalsContact C-N 3.29Å; N362-I364 PolarHBondContact O-N 3.12Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.11Å; I364-Q367 PolarHBondContact O-N 2.91Å; I364-D368 PolarHBondContact O-N 3.34Å |
| 365 | N | 80 | Confident | 78.6 | Confident | 81 Ų | 81 | 72 Ų | 72 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -35 | 177.2 | -66.1 | -36.8 | 0 | 0 | 0 | 112.3 | M354 N362 E363 L369 | M354-N365 HydrophobicContact CE-CB 3.55Å; N362-N365 WeakPolarHBondContact O-CB 3.32Å; N362-N365 PolarHBondContact O-N 2.95Å; N362-N365 VanDerWaalsContact O-N 3.09Å; N362-N365 PolarHBondContact OD1-ND2 3.25Å; E363-N365 VanDerWaalsContact C-N 3.33Å; E363-N365 PolarHBondContact O-N 2.75Å; N365-L369 WeakPolarHBondContact O-CB 3.37Å; N365-L369 WeakPolarHBondContact O-CD1 3.36Å; N365-L369 WeakPolarHBondContact O-CG 3.26Å; N365-L369 PolarHBondContact O-N 3Å |
| 366 | Q | 82.7 | Confident | 79.1 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 174.7 | -68.4 | -177.8 | -8.8 | 0 | 0 | 111.2 | L351 M354 N362 E363 I364 L369 A370 | L351-Q366 HydrophobicContact CD1-CB 4.16Å; L351-Q366 HydrophobicContact CD1-CG 4.47Å; M354-Q366 HydrophobicContact CE-CG 4.11Å; M354-Q366 HydrophobicContact CG-CG 4.08Å; M354-Q366 PolarHBondContact O-NE2 3.29Å; M354-Q366 HydrophobicContact SD-CG 4.32Å; N362-Q366 PolarHBondContact O-N 3.1Å; E363-Q366 PolarHBondContact O-N 3.27Å; E363-Q366 VanDerWaalsContact O-N 3.13Å; I364-Q366 VanDerWaalsContact C-N 3.31Å; I364-Q366 PolarHBondContact O-N 3.11Å; Q366-L369 PolarHBondContact O-N 2.98Å; Q366-A370 WeakPolarHBondContact O-CB 3.1Å; Q366-A370 PolarHBondContact O-N 3.46Å |
| 367 | Q | 83.2 | Confident | 79.8 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 178.5 | -170.3 | 62 | 54.9 | 0 | 0 | 112.5 | E363 I364 A370 M371 | E363-Q367 PolarHBondContact O-N 2.68Å; I364-Q367 PolarHBondContact O-N 2.91Å; Q367-A370 PolarHBondContact O-N 3.39Å; Q367-M371 WeakPolarHBondContact O-CB 3.47Å; Q367-M371 VanDerWaalsContact O-CG 3.26Å; Q367-M371 WeakPolarHBondContact O-CG 3.3Å; Q367-M371 PolarHBondContact O-N 3.27Å |
| 368 | D | 86.7 | Confident | 80.3 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 177.7 | -78.1 | -27.4 | 0 | 0 | 0 | 112.3 | I364 M371 A372 | I364-D368 PolarHBondContact O-N 3.34Å; D368-M371 PolarHBondContact O-N 2.93Å; D368-A372 PolarHBondContact O-N 3.35Å |
| 369 | L | 89.9 | Confident | 81.4 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 171.8 | -69.5 | 167.7 | 0 | 0 | 0 | 111.4 | V347 L351 M354 N365 Q366 M371 A372 I373 | V347-L369 HydrophobicContact CG1-CB 4.43Å; V347-L369 HydrophobicContact CG1-CD2 3.75Å; L351-L369 HydrophobicContact CB-CB 4.5Å; L351-L369 HydrophobicContact CD1-CB 4.22Å; M354-L369 HydrophobicContact SD-CD1 3.77Å; N365-L369 WeakPolarHBondContact O-CB 3.37Å; N365-L369 WeakPolarHBondContact O-CD1 3.36Å; N365-L369 WeakPolarHBondContact O-CG 3.26Å; N365-L369 PolarHBondContact O-N 3Å; Q366-L369 PolarHBondContact O-N 2.98Å; L369-M371 VanDerWaalsContact C-N 3.33Å; L369-M371 PolarHBondContact O-N 2.71Å; L369-A372 PolarHBondContact O-N 2.9Å; L369-I373 WeakPolarHBondContact O-CG1 3.44Å; L369-I373 PolarHBondContact O-N 3.3Å |
| 370 | A | 90.3 | Very high | 82.7 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -39.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L284 P287 L351 Q366 Q367 S374 | L284-A370 HydrophobicContact CB-CB 4.32Å; L284-A370 HydrophobicContact CD2-CB 4.16Å; P287-A370 HydrophobicContact CG-CB 4.16Å; L351-A370 HydrophobicContact CD2-CB 3.89Å; Q366-A370 WeakPolarHBondContact O-CB 3.1Å; Q366-A370 PolarHBondContact O-N 3.46Å; Q367-A370 PolarHBondContact O-N 3.39Å; A370-S374 WeakPolarHBondContact O-CB 3.23Å; A370-S374 PolarHBondContact O-N 2.93Å; A370-S374 PolarHBondContact O-OG 3.21Å |
| 371 | M | 88.8 | Confident | 84.3 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -37.7 | 172.7 | -77.1 | -64 | -56.5 | 0 | 0 | 113 | Q367 D368 L369 R375 I1113 | Q367-M371 WeakPolarHBondContact O-CB 3.47Å; Q367-M371 VanDerWaalsContact O-CG 3.26Å; Q367-M371 WeakPolarHBondContact O-CG 3.3Å; Q367-M371 PolarHBondContact O-N 3.27Å; D368-M371 PolarHBondContact O-N 2.93Å; L369-M371 VanDerWaalsContact C-N 3.33Å; L369-M371 PolarHBondContact O-N 2.71Å; M371-R375 WeakPolarHBondContact O-CG 3.4Å; M371-R375 PolarHBondContact O-N 3.37Å; M371-I1113 HydrophobicContact CE-CD1 3.82Å; M371-I1113 HydrophobicContact CE-CG1 4.49Å; M371-I1113 HydrophobicContact SD-CD1 3.55Å; M371-I1113 VanDerWaalsContact SD-CD1 3.55Å |
| 372 | A | 91.2 | Very high | 85.8 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -51.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D368 L369 S374 R375 S376 | D368-A372 PolarHBondContact O-N 3.35Å; L369-A372 PolarHBondContact O-N 2.9Å; A372-S374 VanDerWaalsContact C-N 3.3Å; A372-S374 PolarHBondContact O-N 2.91Å; A372-R375 PolarHBondContact O-N 3.17Å; A372-R375 VanDerWaalsContact O-N 3.16Å; A372-S376 PolarHBondContact O-N 2.99Å; A372-S376 VanDerWaalsContact O-N 3.11Å; A372-S376 PolarHBondContact O-OG 3.12Å |
| 373 | I | 93.5 | Very high | 87 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -44.3 | 177.7 | -57.4 | 158.8 | 0 | 0 | 0 | 110.3 | L284 V344 V347 L351 L369 R375 S376 L377 | L284-I373 HydrophobicContact CD1-CB 3.97Å; L284-I373 HydrophobicContact CD1-CG2 3.67Å; L284-I373 HydrophobicContact CD2-CB 3.95Å; L284-I373 HydrophobicContact CD2-CD1 3.69Å; L284-I373 HydrophobicContact CD2-CG1 4.46Å; L284-I373 HydrophobicContact CD2-CG2 4.05Å; V344-I373 HydrophobicContact CG1-CG2 4.24Å; V344-I373 HydrophobicContact CG2-CG2 4.38Å; V347-I373 HydrophobicContact CB-CD1 4.47Å; V347-I373 HydrophobicContact CB-CG1 3.96Å; V347-I373 HydrophobicContact CG1-CD1 3.98Å; V347-I373 HydrophobicContact CG1-CG1 3.62Å; L351-I373 HydrophobicContact CB-CD1 4.06Å; L351-I373 HydrophobicContact CD2-CD1 3.7Å; L369-I373 WeakPolarHBondContact O-CG1 3.44Å; L369-I373 PolarHBondContact O-N 3.3Å; I373-R375 VanDerWaalsContact C-N 3.29Å; I373-R375 PolarHBondContact O-N 3.44Å; I373-S376 PolarHBondContact O-N 2.69Å; I373-L377 HydrophobicContact CG2-CD1 3.89Å; I373-L377 HydrophobicContact CG2-CG 4.12Å; I373-L377 WeakPolarHBondContact O-CB 3.32Å; I373-L377 WeakPolarHBondContact O-CG 3.32Å; I373-L377 PolarHBondContact O-N 2.89Å |
| 374 | S | 91.7 | Very high | 88 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -38.7 | 179.4 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | L284 A370 A372 A378 | L284-S374 WeakPolarHBondContact CD1-OG 3.43Å; A370-S374 WeakPolarHBondContact O-CB 3.23Å; A370-S374 PolarHBondContact O-N 2.93Å; A370-S374 PolarHBondContact O-OG 3.21Å; A372-S374 VanDerWaalsContact C-N 3.3Å; A372-S374 PolarHBondContact O-N 2.91Å; S374-A378 WeakPolarHBondContact O-CB 3.38Å; S374-A378 PolarHBondContact O-N 2.97Å; S374-A378 VanDerWaalsContact O-N 3.1Å |
| 375 | R | 91.8 | Very high | 88.8 | Confident | 163 Ų | 163 | 39.2 Ų | 39.2 | 62% | 0.615 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -70.2 | -43.9 | 176.6 | -72.6 | 169.5 | 177.2 | 156 | -0 | 112.1 | M371 A372 I373 A378 Y379 | M371-R375 WeakPolarHBondContact O-CG 3.4Å; M371-R375 PolarHBondContact O-N 3.37Å; A372-R375 PolarHBondContact O-N 3.17Å; A372-R375 VanDerWaalsContact O-N 3.16Å; I373-R375 VanDerWaalsContact C-N 3.29Å; I373-R375 PolarHBondContact O-N 3.44Å; R375-A378 PolarHBondContact O-N 3.28Å; R375-Y379 PolarHBondContact O-N 2.85Å |
| 376 | S | 93.9 | Very high | 89 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 176.6 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | H343 A372 I373 A378 Y379 I380 | H343-S376 PolarHBondContact CD2-OG 3.33Å; A372-S376 PolarHBondContact O-N 2.99Å; A372-S376 VanDerWaalsContact O-N 3.11Å; A372-S376 PolarHBondContact O-OG 3.12Å; I373-S376 PolarHBondContact O-N 2.69Å; S376-A378 PolarHBondContact O-N 3.37Å; S376-Y379 PolarHBondContact O-N 3.13Å; S376-I380 WeakPolarHBondContact O-CD1 3.45Å; S376-I380 VanDerWaalsContact O-CG1 3.23Å; S376-I380 WeakPolarHBondContact O-CG1 3.41Å; S376-I380 PolarHBondContact O-N 2.95Å |
| 377 | L | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 174 | -75.6 | 175 | 0 | 0 | 0 | 112.5 | L277 A280 L284 L302 V344 I373 I380 W381 | L277-L377 HydrophobicContact CD1-CB 3.74Å; L277-L377 HydrophobicContact CD1-CD1 4.49Å; L277-L377 HydrophobicContact CD1-CD2 4.47Å; L277-L377 HydrophobicContact CD1-CG 4.47Å; A280-L377 HydrophobicContact CB-CD1 3.77Å; L284-L377 HydrophobicContact CD1-CD1 3.59Å; L302-L377 HydrophobicContact CD1-CD2 4.19Å; L302-L377 HydrophobicContact CD2-CD2 3.88Å; V344-L377 HydrophobicContact CG1-CD2 3.87Å; V344-L377 HydrophobicContact CG1-CG 4.39Å; V344-L377 HydrophobicContact CG2-CD2 3.95Å; V344-L377 HydrophobicContact CG2-CG 3.99Å; I373-L377 HydrophobicContact CG2-CD1 3.89Å; I373-L377 HydrophobicContact CG2-CG 4.12Å; I373-L377 WeakPolarHBondContact O-CB 3.32Å; I373-L377 WeakPolarHBondContact O-CG 3.32Å; I373-L377 PolarHBondContact O-N 2.89Å; L377-I380 PolarHBondContact O-N 3.39Å; L377-W381 WeakPolarHBondContact O-CB 3.46Å; L377-W381 PolarHBondContact O-N 3.46Å |
| 378 | A | 89.1 | Confident | 89.3 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S374 R375 S376 W381 Q382 I1116 | S374-A378 WeakPolarHBondContact O-CB 3.38Å; S374-A378 PolarHBondContact O-N 2.97Å; S374-A378 VanDerWaalsContact O-N 3.1Å; R375-A378 PolarHBondContact O-N 3.28Å; S376-A378 PolarHBondContact O-N 3.37Å; A378-W381 PolarHBondContact O-N 2.95Å; A378-Q382 WeakPolarHBondContact O-CG 3.48Å; A378-Q382 PolarHBondContact O-N 3.26Å; A378-I1116 HydrophobicContact CB-CG2 3.91Å |
| 379 | Y | 91.2 | Very high | 89.4 | Confident | 84 Ų | 84 | 31.4 Ų | 31.4 | 33% | 0.329 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 175.9 | 176.8 | -105.6 | 0 | 0 | 0 | 112.7 | A336 C337 A340 R375 S376 W381 T383 | A336-Y379 HydrophobicContact CB-CE1 4.45Å; C337-Y379 HydrophobicContact CB-CE1 4.25Å; A340-Y379 HydrophobicContact CB-CD1 3.88Å; A340-Y379 HydrophobicContact CB-CE1 4.34Å; R375-Y379 PolarHBondContact O-N 2.85Å; S376-Y379 PolarHBondContact O-N 3.13Å; Y379-W381 VanDerWaalsContact C-N 3.34Å; Y379-T383 WeakPolarHBondContact O-CB 3.43Å; Y379-T383 PolarHBondContact O-N 3.11Å; Y379-T383 PolarHBondContact O-OG1 3.03Å |
| 380 | I | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 173.8 | -65.9 | 158.8 | 0 | 0 | 0 | 109.7 | L302 A306 A340 C341 V344 S376 L377 T383 L384 | L302-I380 HydrophobicContact CD2-CB 4.49Å; L302-I380 HydrophobicContact CD2-CG2 3.81Å; A306-I380 HydrophobicContact CB-CG2 3.58Å; A340-I380 HydrophobicContact CB-CD1 4.17Å; A340-I380 HydrophobicContact CB-CG1 3.82Å; C341-I380 HydrophobicContact CB-CD1 4.47Å; V344-I380 HydrophobicContact CG2-CD1 3.72Å; S376-I380 WeakPolarHBondContact O-CD1 3.45Å; S376-I380 VanDerWaalsContact O-CG1 3.23Å; S376-I380 WeakPolarHBondContact O-CG1 3.41Å; S376-I380 PolarHBondContact O-N 2.95Å; L377-I380 PolarHBondContact O-N 3.39Å; I380-T383 PolarHBondContact O-N 3.08Å; I380-L384 HydrophobicContact CG2-CD1 4.06Å; I380-L384 HydrophobicContact CG2-CG 4.32Å; I380-L384 WeakPolarHBondContact O-CG 3.46Å; I380-L384 PolarHBondContact O-N 3.35Å |
| 381 | W | 89.3 | Confident | 89.2 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -49.9 | -179.4 | -176.5 | -115.8 | 0 | 0 | 0 | 112.8 | L273 E274 L277 L377 A378 Y379 T383 L384 E385 T447 K448 | L273-W381 HydrophobicContact CB-CZ3 3.99Å; E274-W381 HydrophobicContact CB-CH2 3.58Å; E274-W381 HydrophobicContact CB-CZ2 3.93Å; E274-W381 HydrophobicContact CB-CZ3 4.26Å; E274-W381 HydrophobicContact CG-CH2 4.12Å; E274-W381 HydrophobicContact CG-CZ2 3.92Å; L277-W381 HydrophobicContact CD2-CB 3.74Å; L277-W381 HydrophobicContact CD2-CD2 3.71Å; L277-W381 HydrophobicContact CD2-CE3 4.32Å; L277-W381 HydrophobicContact CD2-CG 3.4Å; L277-W381 VanDerWaalsContact CD2-CG 3.4Å; L377-W381 WeakPolarHBondContact O-CB 3.46Å; L377-W381 PolarHBondContact O-N 3.46Å; A378-W381 PolarHBondContact O-N 2.95Å; Y379-W381 VanDerWaalsContact C-N 3.34Å; W381-T383 VanDerWaalsContact C-N 3.25Å; W381-T383 PolarHBondContact O-N 3.09Å; W381-L384 PolarHBondContact O-N 2.97Å; W381-E385 WeakPolarHBondContact O-CB 3.37Å; W381-E385 PolarHBondContact O-N 3.05Å; W381-T447 WeakPolarHBondContact CH2-O 3.45Å; W381-K448 HydrophobicContact CH2-CB 4.11Å; W381-K448 HydrophobicContact CH2-CG 4.5Å; W381-K448 HydrophobicContact CZ2-CB 4.43Å; W381-K448 HydrophobicContact CZ2-CD 4.47Å; W381-K448 HydrophobicContact CZ2-CG 4.34Å |
| 382 | Q | 88.2 | Confident | 89.3 | Confident | 96 Ų | 96 | 34.5 Ų | 34.5 | 45% | 0.449 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61 | -34.6 | 177.1 | -71.2 | 174.2 | 3 | 0 | 0 | 112.3 | A378 K386 | A378-Q382 WeakPolarHBondContact O-CG 3.48Å; A378-Q382 PolarHBondContact O-N 3.26Å; Q382-K386 WeakPolarHBondContact O-CB 3.35Å; Q382-K386 PolarHBondContact O-N 2.74Å |
| 383 | T | 88.3 | Confident | 89.3 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.1 | -44.4 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | C337 Y379 I380 W381 E385 K386 L387 | C337-T383 HydrophobicContact CB-CG2 3.88Å; Y379-T383 WeakPolarHBondContact O-CB 3.43Å; Y379-T383 PolarHBondContact O-N 3.11Å; Y379-T383 PolarHBondContact O-OG1 3.03Å; I380-T383 PolarHBondContact O-N 3.08Å; W381-T383 VanDerWaalsContact C-N 3.25Å; W381-T383 PolarHBondContact O-N 3.09Å; T383-E385 PolarHBondContact O-N 3.44Å; T383-K386 PolarHBondContact O-N 3.06Å; T383-L387 HydrophobicContact CG2-CD1 4.13Å; T383-L387 WeakPolarHBondContact O-CB 3.5Å; T383-L387 VanDerWaalsContact O-CG 3.3Å; T383-L387 WeakPolarHBondContact O-CG 3.38Å; T383-L387 PolarHBondContact O-N 2.74Å |
| 384 | L | 86.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.6 | -68.9 | 178.3 | 0 | 0 | 0 | 112.2 | L273 A306 I309 I380 W381 L387 L388 | L273-L384 HydrophobicContact CD1-CD1 4.2Å; A306-L384 HydrophobicContact CB-CD1 3.83Å; A306-L384 HydrophobicContact CB-CD2 4.16Å; A306-L384 HydrophobicContact CB-CG 4.32Å; I309-L384 HydrophobicContact CB-CD2 4Å; I309-L384 HydrophobicContact CD1-CD1 4.45Å; I309-L384 HydrophobicContact CD1-CD2 3.95Å; I309-L384 HydrophobicContact CG2-CD2 3.9Å; I380-L384 HydrophobicContact CG2-CD1 4.06Å; I380-L384 HydrophobicContact CG2-CG 4.32Å; I380-L384 WeakPolarHBondContact O-CG 3.46Å; I380-L384 PolarHBondContact O-N 3.35Å; W381-L384 PolarHBondContact O-N 2.97Å; L384-L387 PolarHBondContact O-N 3.17Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 PolarHBondContact O-N 2.8Å |
| 385 | E | 85 | Confident | 89.1 | Confident | 48 Ų | 48 | 36.8 Ų | 36.8 | 22% | 0.224 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.6 | -177.5 | 173.2 | -156.7 | 0 | 0 | 111.8 | W381 T383 T389 K448 | W381-E385 WeakPolarHBondContact O-CB 3.37Å; W381-E385 PolarHBondContact O-N 3.05Å; T383-E385 PolarHBondContact O-N 3.44Å; E385-T389 WeakPolarHBondContact O-CB 3.45Å; E385-T389 PolarHBondContact O-N 3.46Å; E385-T389 PolarHBondContact O-OG1 2.98Å; E385-K448 IonicContact OE1-NZ 3.48Å; E385-K448 PolarHBondContact OE1-NZ 3.37Å |
| 386 | K | 84.9 | Confident | 89.2 | Confident | 96 Ų | 96 | 29.1 Ų | 29.1 | 42% | 0.417 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -58.1 | -48 | 172.6 | -179.8 | -161.6 | 165.3 | -157.1 | 0 | 111 | D330 Q382 T383 R390 | D330-K386 IonicContact OD1-NZ 2.63Å; D330-K386 PolarHBondContact OD1-NZ 3.06Å; Q382-K386 WeakPolarHBondContact O-CB 3.35Å; Q382-K386 PolarHBondContact O-N 2.74Å; T383-K386 PolarHBondContact O-N 3.06Å; K386-R390 WeakPolarHBondContact O-CB 3.38Å; K386-R390 PolarHBondContact O-N 3.31Å |
| 387 | L | 85.2 | Confident | 89.1 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.8 | -48.6 | -178.7 | -74.4 | 170.7 | 0 | 0 | 0 | 112.1 | I310 T383 L384 R390 Q391 | I310-L387 HydrophobicContact CG1-CD1 3.95Å; T383-L387 HydrophobicContact CG2-CD1 4.13Å; T383-L387 WeakPolarHBondContact O-CB 3.5Å; T383-L387 VanDerWaalsContact O-CG 3.3Å; T383-L387 WeakPolarHBondContact O-CG 3.38Å; T383-L387 PolarHBondContact O-N 2.74Å; L384-L387 PolarHBondContact O-N 3.17Å; L387-R390 PolarHBondContact O-N 2.95Å; L387-Q391 PolarHBondContact O-N 2.85Å |
| 388 | L | 86.5 | Confident | 89.1 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.7 | -53.8 | 174.5 | 175.5 | 73.5 | 0 | 0 | 0 | 111 | L384 R390 Q391 I392 L443 A444 T447 K448 | L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 PolarHBondContact O-N 2.8Å; L388-R390 VanDerWaalsContact C-N 3.32Å; L388-R390 PolarHBondContact O-N 3.44Å; L388-Q391 PolarHBondContact O-N 3.36Å; L388-I392 HydrophobicContact CD1-CD1 3.66Å; L388-I392 HydrophobicContact CD1-CG1 4.39Å; L388-I392 HydrophobicContact CG-CD1 3.74Å; L388-I392 WeakPolarHBondContact O-CB 3.3Å; L388-I392 VanDerWaalsContact O-CG1 3.32Å; L388-I392 WeakPolarHBondContact O-CG1 3.23Å; L388-I392 PolarHBondContact O-N 2.9Å; L388-L443 HydrophobicContact CD1-CD2 3.92Å; L388-L443 HydrophobicContact CD1-CG 3.78Å; L388-A444 HydrophobicContact CD1-CB 4.1Å; L388-T447 WeakPolarHBondContact CD2-OG1 3.41Å; L388-K448 HydrophobicContact CD2-CB 4.07Å |
| 389 | T | 89.3 | Confident | 89.2 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.4 | -45.6 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | E385 A393 V526 A530 A534 | E385-T389 WeakPolarHBondContact O-CB 3.45Å; E385-T389 PolarHBondContact O-N 3.46Å; E385-T389 PolarHBondContact O-OG1 2.98Å; T389-A393 WeakPolarHBondContact O-CB 3.36Å; T389-A393 PolarHBondContact O-N 3.31Å; T389-V526 HydrophobicContact CG2-CG1 3.75Å; T389-A530 VanDerWaalsContact CG2-C 3.48Å; T389-A530 HydrophobicContact CG2-CB 3.93Å; T389-A530 WeakPolarHBondContact CG2-O 3.38Å; T389-A534 HydrophobicContact CG2-CB 3.9Å |
| 390 | R | 87.2 | Confident | 89.3 | Confident | 70 Ų | 70 | 28.6 Ų | 28.6 | 26% | 0.264 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177 | -173.5 | -178.9 | 66.9 | 131.5 | 13 | 111.3 | D330 K386 L387 L388 I392 A393 E394 | D330-R390 IonicContact OD2-CZ 3.67Å; D330-R390 IonicContact OD2-NE 2.74Å; D330-R390 IonicContact OD2-NH1 3.42Å; D330-R390 PolarHBondContact OD2-NH1 3.44Å; K386-R390 WeakPolarHBondContact O-CB 3.38Å; K386-R390 PolarHBondContact O-N 3.31Å; L387-R390 PolarHBondContact O-N 2.95Å; L388-R390 VanDerWaalsContact C-N 3.32Å; L388-R390 PolarHBondContact O-N 3.44Å; R390-I392 PolarHBondContact O-N 2.95Å; R390-A393 PolarHBondContact O-N 3.37Å; R390-E394 WeakPolarHBondContact O-CB 3.48Å; R390-E394 WeakPolarHBondContact O-CG 3.3Å; R390-E394 PolarHBondContact O-N 3.49Å |
| 391 | Q | 88.3 | Confident | 89.4 | Confident | 44 Ų | 44 | 29.2 Ų | 29.2 | 21% | 0.206 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | -178.6 | -165.2 | 179 | 56.6 | 0 | 0 | 111.9 | L387 L388 E394 V395 T440 | L387-Q391 PolarHBondContact O-N 2.85Å; L388-Q391 PolarHBondContact O-N 3.36Å; Q391-E394 PolarHBondContact O-N 3.21Å; Q391-V395 HydrophobicContact CG-CG2 3.89Å; Q391-V395 WeakPolarHBondContact O-CB 3.23Å; Q391-V395 WeakPolarHBondContact O-CG2 3.45Å; Q391-V395 PolarHBondContact O-N 3.47Å; Q391-T440 HydrophobicContact CB-CG2 4.34Å; Q391-T440 HydrophobicContact CG-CG2 3.88Å |
| 392 | I | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.9 | -69.4 | 170.6 | 0 | 0 | 0 | 111.6 | L388 R390 E394 Y396 T440 A444 V522 D523 V526 F531 R571 | L388-I392 HydrophobicContact CD1-CD1 3.66Å; L388-I392 HydrophobicContact CD1-CG1 4.39Å; L388-I392 HydrophobicContact CG-CD1 3.74Å; L388-I392 WeakPolarHBondContact O-CB 3.3Å; L388-I392 VanDerWaalsContact O-CG1 3.32Å; L388-I392 WeakPolarHBondContact O-CG1 3.23Å; L388-I392 PolarHBondContact O-N 2.9Å; R390-I392 PolarHBondContact O-N 2.95Å; I392-E394 PolarHBondContact O-N 2.9Å; I392-Y396 WeakPolarHBondContact O-CB 3.47Å; I392-Y396 PolarHBondContact O-N 3.49Å; I392-T440 HydrophobicContact CG1-CG2 3.75Å; I392-A444 HydrophobicContact CD1-CB 4.3Å; I392-V522 HydrophobicContact CB-CG1 4.12Å; I392-V522 HydrophobicContact CD1-CG1 3.47Å; I392-V522 VanDerWaalsContact CD1-CG1 3.47Å; I392-V522 HydrophobicContact CG1-CG1 3.44Å; I392-V522 VanDerWaalsContact CG1-CG1 3.44Å; I392-V522 HydrophobicContact CG2-CG1 3.62Å; I392-D523 WeakPolarHBondContact CG2-OD1 3.36Å; I392-V526 HydrophobicContact CD1-CG2 3.39Å; I392-V526 HydrophobicContact CG2-CG2 4.32Å; I392-F531 HydrophobicContact CG2-CD2 4.47Å; I392-F531 HydrophobicContact CG2-CE2 4.2Å; I392-R571 PolarHBondContact O-NH1 3.41Å |
| 393 | A | 90.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T389 R390 T397 A534 Q535 R568 R571 | T389-A393 WeakPolarHBondContact O-CB 3.36Å; T389-A393 PolarHBondContact O-N 3.31Å; R390-A393 PolarHBondContact O-N 3.37Å; A393-T397 PolarHBondContact O-OG1 2.88Å; A393-A534 HydrophobicContact CB-CB 3.7Å; A393-Q535 VanDerWaalsContact CA-NE2 3.31Å; A393-Q535 HydrophobicContact CB-CG 4.47Å; A393-Q535 PolarHBondContact O-NE2 2.87Å; A393-R568 PolarHBondContact O-NH1 3.47Å; A393-R571 PolarHBondContact O-NH1 3.36Å |
| 394 | E | 89.5 | Confident | 90.4 | Very high | 61 Ų | 61 | 28.3 Ų | 28.3 | 29% | 0.285 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -82.9 | -61.8 | -178.5 | -66.6 | -165 | -170.2 | 0 | 0 | 114.4 | R390 Q391 I392 Y396 T397 R541 | R390-E394 WeakPolarHBondContact O-CB 3.48Å; R390-E394 WeakPolarHBondContact O-CG 3.3Å; R390-E394 PolarHBondContact O-N 3.49Å; Q391-E394 PolarHBondContact O-N 3.21Å; I392-E394 PolarHBondContact O-N 2.9Å; E394-Y396 VanDerWaalsContact C-N 3.27Å; E394-Y396 PolarHBondContact O-N 3.17Å; E394-T397 VanDerWaalsContact O-CB 3.25Å; E394-T397 WeakPolarHBondContact O-CB 3.44Å; E394-T397 PolarHBondContact O-N 3.14Å; E394-T397 PolarHBondContact O-OG1 2.76Å; E394-R541 IonicContact OE1-CZ 3.91Å; E394-R541 VanDerWaalsContact OE1-CZ 3.23Å; E394-R541 IonicContact OE1-NH1 3.86Å; E394-R541 PolarHBondContact OE1-NH1 3.31Å; E394-R541 IonicContact OE1-NH2 2.83Å; E394-R541 PolarHBondContact OE1-NH2 3.35Å; E394-R541 IonicContact OE2-CZ 2.87Å; E394-R541 IonicContact OE2-NH1 3.59Å; E394-R541 PolarHBondContact OE2-NH1 3.02Å; E394-R541 IonicContact OE2-NH2 3.77Å; E394-R541 PolarHBondContact OE2-NH2 2.76Å |
| 395 | V | 92.1 | Very high | 90.8 | Very high | 35 Ų | 35 | 32.2 Ų | 32.2 | 21% | 0.212 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -39.2 | -173.5 | 177 | 0 | 0 | 0 | 0 | 111.2 | Q391 T397 Q436 L437 | Q391-V395 HydrophobicContact CG-CG2 3.89Å; Q391-V395 WeakPolarHBondContact O-CB 3.23Å; Q391-V395 WeakPolarHBondContact O-CG2 3.45Å; Q391-V395 PolarHBondContact O-N 3.47Å; V395-T397 VanDerWaalsContact C-N 3.33Å; V395-T397 PolarHBondContact O-N 3.08Å; V395-Q436 HydrophobicContact CG1-CB 4.03Å; V395-L437 HydrophobicContact CG1-CD2 4.02Å; V395-L437 HydrophobicContact CG1-CG 4.36Å |
| 396 | Y | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 9.9 | 176.3 | -68.7 | -102.3 | 0 | 0 | 0 | 113.4 | I392 E394 D398 L399 L437 T440 M518 R519 V522 R571 | I392-Y396 WeakPolarHBondContact O-CB 3.47Å; I392-Y396 PolarHBondContact O-N 3.49Å; E394-Y396 VanDerWaalsContact C-N 3.27Å; E394-Y396 PolarHBondContact O-N 3.17Å; Y396-D398 VanDerWaalsContact C-N 3.29Å; Y396-D398 PolarHBondContact O-N 3.18Å; Y396-L399 HydrophobicContact CD1-CD1 4.09Å; Y396-L399 HydrophobicContact CE1-CD1 4.39Å; Y396-L437 HydrophobicContact CD1-CD2 3.69Å; Y396-L437 HydrophobicContact CD2-CD2 4.12Å; Y396-L437 HydrophobicContact CE1-CD2 3.48Å; Y396-L437 VanDerWaalsContact CE1-CD2 3.48Å; Y396-L437 HydrophobicContact CE2-CD2 3.91Å; Y396-L437 HydrophobicContact CG-CD2 4Å; Y396-L437 PolarHBondContact OH-O 3.21Å; Y396-T440 HydrophobicContact CD2-CG2 4.33Å; Y396-T440 HydrophobicContact CE2-CG2 3.88Å; Y396-M518 WeakPolarHBondContact OH-CE 3.46Å; Y396-R519 HydrophobicContact CD1-CB 3.69Å; Y396-R519 HydrophobicContact CD1-CG 4Å; Y396-R519 HydrophobicContact CE1-CB 3.95Å; Y396-R519 PolarHBondContact O-NH1 3.36Å; Y396-R519 PolarHBondContact O-NH2 3.03Å; Y396-V522 HydrophobicContact CD2-CG1 4.36Å; Y396-V522 HydrophobicContact CE2-CG1 4.08Å; Y396-R571 VanDerWaalsContact O-CD 3.31Å; Y396-R571 WeakPolarHBondContact O-CD 3.31Å; Y396-R571 VanDerWaalsContact O-CZ 3.24Å; Y396-R571 PolarHBondContact O-NE 3.47Å; Y396-R571 PolarHBondContact O-NH1 2.98Å |
| 397 | T | 91.7 | Very high | 91.9 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 9% | 0.092 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -38.6 | 172 | -76.8 | 0 | 0 | 0 | 0 | 112 | A393 E394 V395 R567 R568 | A393-T397 PolarHBondContact O-OG1 2.88Å; E394-T397 VanDerWaalsContact O-CB 3.25Å; E394-T397 WeakPolarHBondContact O-CB 3.44Å; E394-T397 PolarHBondContact O-N 3.14Å; E394-T397 PolarHBondContact O-OG1 2.76Å; V395-T397 VanDerWaalsContact C-N 3.33Å; V395-T397 PolarHBondContact O-N 3.08Å; T397-R567 HydrophobicContact CG2-CB 4.07Å; T397-R568 HydrophobicContact CG2-CG 3.81Å; T397-R568 PolarHBondContact OG1-NH1 3.08Å |
| 398 | D | 92.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 29.9 Ų | 29.9 | 22% | 0.219 | 15% | 0.146 | C | C | . | . | trans | -126.9 | 112.9 | 179.5 | -175.7 | 15.5 | 0 | 0 | 0 | 109.8 | Y396 V400 G401 Q433 R567 | Y396-D398 VanDerWaalsContact C-N 3.29Å; Y396-D398 PolarHBondContact O-N 3.18Å; D398-V400 PolarHBondContact OD1-N 3.33Å; D398-G401 WeakPolarHBondContact OD1-CA 3.47Å; D398-G401 PolarHBondContact OD1-N 3.04Å; D398-G401 WeakPolarHBondContact OD2-CA 3.25Å; D398-Q433 PolarHBondContact O-NE2 2.73Å; D398-R567 IonicContact OD1-NH1 3.76Å; D398-R567 PolarHBondContact OD1-NH1 3.47Å; D398-R567 IonicContact OD2-CZ 3.67Å; D398-R567 IonicContact OD2-NH1 3.15Å; D398-R567 PolarHBondContact OD2-NH1 3.07Å; D398-R567 IonicContact OD2-NH2 2.75Å | ||
| 399 | L | 92.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -88.7 | -43.9 | 177.7 | -154.5 | 69.8 | 0 | 0 | 0 | 112.2 | Y396 Q433 L437 W511 A515 E516 R519 | Y396-L399 HydrophobicContact CD1-CD1 4.09Å; Y396-L399 HydrophobicContact CE1-CD1 4.39Å; L399-Q433 PolarHBondContact O-NE2 2.93Å; L399-Q433 VanDerWaalsContact O-NE2 3.13Å; L399-L437 HydrophobicContact CD1-CD1 4.22Å; L399-L437 HydrophobicContact CD1-CD2 3.91Å; L399-W511 HydrophobicContact CG-CZ3 4.4Å; L399-A515 HydrophobicContact CD1-CB 3.95Å; L399-A515 HydrophobicContact CD2-CB 3.75Å; L399-A515 HydrophobicContact CG-CB 3.98Å; L399-E516 HydrophobicContact CD2-CB 4.41Å; L399-E516 HydrophobicContact CD2-CG 3.44Å; L399-E516 VanDerWaalsContact CD2-CG 3.44Å; L399-R519 VanDerWaalsContact CB-NH2 3.29Å |
| 400 | V | 93.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 30 Ų | 30 | 24% | 0.242 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -111.2 | -4.9 | -162.5 | -156.3 | 0 | 0 | 0 | 0 | 112.2 | D398 L403 R404 T512 | D398-V400 PolarHBondContact OD1-N 3.33Å; V400-L403 HydrophobicContact CG1-CB 4.16Å; V400-L403 HydrophobicContact CG1-CD2 4.3Å; V400-L403 HydrophobicContact CG1-CG 4.37Å; V400-L403 CarbonylContact O-C 3.56Å; V400-L403 PolarHBondContact O-N 3.02Å; V400-R404 WeakPolarHBondContact O-CB 3.49Å; V400-R404 PolarHBondContact O-N 3.05Å; V400-T512 HydrophobicContact CG2-CG2 4.27Å |
| 401 | G | 93.1 | Very high | 93 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 12% | 0.124 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53.1 | -60.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D398 L403 R404 Q405 | D398-G401 WeakPolarHBondContact OD1-CA 3.47Å; D398-G401 PolarHBondContact OD1-N 3.04Å; D398-G401 WeakPolarHBondContact OD2-CA 3.25Å; G401-L403 VanDerWaalsContact C-N 3.32Å; G401-L403 PolarHBondContact O-N 3.43Å; G401-R404 WeakPolarHBondContact O-CB 3.33Å; G401-R404 PolarHBondContact O-N 3.5Å; G401-R404 VanDerWaalsContact O-N 3.1Å; G401-Q405 PolarHBondContact O-N 3.34Å |
| 402 | P | 94.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 14% | 0.143 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -36.7 | 176.2 | -27.3 | 37.6 | 0 | 0 | 0 | 113.4 | R404 Q405 L406 F430 Q433 | P402-R404 VanDerWaalsContact C-N 3.33Å; P402-R404 PolarHBondContact O-N 3.44Å; P402-Q405 PolarHBondContact O-N 3.45Å; P402-L406 WeakPolarHBondContact O-CB 3.22Å; P402-L406 PolarHBondContact O-N 2.86Å; P402-F430 HydrophobicContact CB-CB 4.29Å; P402-Q433 HydrophobicContact CG-CB 4.43Å; P402-Q433 HydrophobicContact CG-CG 4.43Å; P402-Q433 VanDerWaalsContact CG-OE1 3.28Å |
| 403 | L | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -32.3 | 174 | -178.2 | 51.9 | 0 | 0 | 0 | 112.8 | V400 G401 L406 F407 F430 V472 R508 W511 | V400-L403 HydrophobicContact CG1-CB 4.16Å; V400-L403 HydrophobicContact CG1-CD2 4.3Å; V400-L403 HydrophobicContact CG1-CG 4.37Å; V400-L403 CarbonylContact O-C 3.56Å; V400-L403 PolarHBondContact O-N 3.02Å; G401-L403 VanDerWaalsContact C-N 3.32Å; G401-L403 PolarHBondContact O-N 3.43Å; L403-L406 HydrophobicContact CD1-CD2 4.15Å; L403-F407 WeakPolarHBondContact O-CB 3.15Å; L403-F407 PolarHBondContact O-N 3.07Å; L403-F430 HydrophobicContact CB-CD2 3.84Å; L403-F430 HydrophobicContact CB-CE2 3.73Å; L403-F430 HydrophobicContact CD1-CD2 4.35Å; L403-F430 HydrophobicContact CD1-CE1 4.42Å; L403-F430 HydrophobicContact CD1-CE2 3.94Å; L403-F430 HydrophobicContact CD1-CZ 3.97Å; L403-F430 HydrophobicContact CD2-CE2 4.1Å; L403-F430 HydrophobicContact CD2-CZ 4.39Å; L403-F430 HydrophobicContact CG-CE2 4.13Å; L403-V472 HydrophobicContact CD1-CG1 3.67Å; L403-R508 HydrophobicContact CD1-CG 4.16Å; L403-R508 HydrophobicContact CD2-CG 3.82Å; L403-R508 HydrophobicContact CG-CG 3.93Å; L403-W511 HydrophobicContact CD2-CD2 4.04Å; L403-W511 HydrophobicContact CD2-CE3 3.34Å; L403-W511 HydrophobicContact CD2-CZ3 3.76Å |
| 404 | R | 95.2 | Very high | 92.3 | Very high | 87 Ų | 87 | 35.2 Ų | 35.2 | 33% | 0.328 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -70 | -39.6 | 173.6 | -169.8 | -175.3 | -63.5 | -171.8 | 0.3 | 110.8 | V400 G401 P402 F407 E408 I722 S726 | V400-R404 WeakPolarHBondContact O-CB 3.49Å; V400-R404 PolarHBondContact O-N 3.05Å; G401-R404 WeakPolarHBondContact O-CB 3.33Å; G401-R404 PolarHBondContact O-N 3.5Å; G401-R404 VanDerWaalsContact O-N 3.1Å; P402-R404 VanDerWaalsContact C-N 3.33Å; P402-R404 PolarHBondContact O-N 3.44Å; R404-F407 PolarHBondContact O-N 3.38Å; R404-E408 PolarHBondContact O-N 3.07Å; R404-I722 VanDerWaalsContact CZ-O 3.31Å; R404-I722 PolarHBondContact NH1-O 3.43Å; R404-I722 PolarHBondContact NH2-O 2.94Å; R404-S726 PolarHBondContact NH1-OG 3.09Å |
| 405 | Q | 94.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 35.5 Ų | 35.5 | 39% | 0.388 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.4 | -38.8 | 173.8 | -63.8 | -178.1 | 29.3 | 0 | 0 | 112 | G401 P402 F407 E408 S409 K426 E429 | G401-Q405 PolarHBondContact O-N 3.34Å; P402-Q405 PolarHBondContact O-N 3.45Å; Q405-F407 VanDerWaalsContact C-N 3.27Å; Q405-F407 PolarHBondContact O-N 2.94Å; Q405-E408 PolarHBondContact O-N 2.91Å; Q405-S409 WeakPolarHBondContact O-CB 3.34Å; Q405-S409 PolarHBondContact O-N 3.32Å; Q405-S409 PolarHBondContact O-OG 3.41Å; Q405-K426 HydrophobicContact CB-CD 4.02Å; Q405-K426 HydrophobicContact CB-CG 4.27Å; Q405-K426 VanDerWaalsContact OE1-CE 3.3Å; Q405-E429 PolarHBondContact OE1-OE2 2.67Å |
| 406 | L | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -35.2 | 170.7 | -174.4 | 68.6 | 0 | 0 | 0 | 112.2 | P402 L403 S409 A410 Y423 K426 M427 F430 V472 V473 F504 | P402-L406 WeakPolarHBondContact O-CB 3.22Å; P402-L406 PolarHBondContact O-N 2.86Å; L403-L406 HydrophobicContact CD1-CD2 4.15Å; L406-S409 WeakPolarHBondContact CA-OG 3.25Å; L406-S409 PolarHBondContact O-OG 2.67Å; L406-S409 VanDerWaalsContact O-OG 3.13Å; L406-A410 PolarHBondContact O-N 3.22Å; L406-Y423 HydrophobicContact CD1-CD2 3.87Å; L406-Y423 HydrophobicContact CD1-CE1 4.48Å; L406-Y423 HydrophobicContact CD1-CE2 3.28Å; L406-Y423 HydrophobicContact CG-CE2 3.88Å; L406-K426 HydrophobicContact CB-CB 4.49Å; L406-K426 HydrophobicContact CD1-CB 4.26Å; L406-M427 HydrophobicContact CD1-CB 4.17Å; L406-F430 HydrophobicContact CD2-CB 4.23Å; L406-F430 HydrophobicContact CD2-CD1 3.56Å; L406-F430 HydrophobicContact CD2-CE1 4.11Å; L406-F430 HydrophobicContact CD2-CG 3.98Å; L406-V472 HydrophobicContact CD2-CG1 4.48Å; L406-V473 HydrophobicContact CD2-CG2 3.87Å; L406-F504 HydrophobicContact CG-CZ 4.49Å |
| 407 | F | 95 | Very high | 91 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.8 | -46.4 | 177 | -165.6 | -86.1 | 0 | 0 | 0 | 112.3 | L403 R404 Q405 A410 S411 F504 L505 | L403-F407 WeakPolarHBondContact O-CB 3.15Å; L403-F407 PolarHBondContact O-N 3.07Å; R404-F407 PolarHBondContact O-N 3.38Å; Q405-F407 VanDerWaalsContact C-N 3.27Å; Q405-F407 PolarHBondContact O-N 2.94Å; F407-A410 PolarHBondContact O-N 3.35Å; F407-S411 PolarHBondContact O-N 3.22Å; F407-F504 HydrophobicContact CB-CE1 4.29Å; F407-F504 HydrophobicContact CB-CZ 4.46Å; F407-F504 AromaticContact CD2-CD1 3.55Å; F407-F504 HydrophobicContact CD2-CD1 3.55Å; F407-F504 AromaticContact CD2-CE1 3.24Å; F407-F504 HydrophobicContact CD2-CE1 3.24Å; F407-F504 HydrophobicContact CD2-CG 4.36Å; F407-F504 AromaticContact CD2-CZ 3.83Å; F407-F504 HydrophobicContact CD2-CZ 3.83Å; F407-F504 AromaticContact CE2-CD1 3.46Å; F407-F504 HydrophobicContact CE2-CD1 3.46Å; F407-F504 VanDerWaalsContact CE2-CD1 3.46Å; F407-F504 AromaticContact CE2-CE1 3.69Å; F407-F504 HydrophobicContact CE2-CE1 3.69Å; F407-F504 HydrophobicContact CE2-CG 4.21Å; F407-F504 AromaticContact CG-CE1 3.98Å; F407-F504 HydrophobicContact CG-CE1 3.98Å; F407-F504 HydrophobicContact CZ-CD1 4.44Å; F407-L505 HydrophobicContact CE1-CD2 4.39Å; F407-L505 HydrophobicContact CE2-CD2 3.56Å; F407-L505 HydrophobicContact CE2-CG 3.94Å; F407-L505 HydrophobicContact CZ-CD2 3.44Å; F407-L505 VanDerWaalsContact CZ-CD2 3.44Å; F407-L505 HydrophobicContact CZ-CG 3.88Å |
| 408 | E | 94 | Very high | 90.9 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 178.8 | -169.7 | 67.5 | -149.1 | 0 | 0 | 111.8 | R404 Q405 A410 S411 P412 S413 | R404-E408 PolarHBondContact O-N 3.07Å; Q405-E408 PolarHBondContact O-N 2.91Å; E408-A410 VanDerWaalsContact C-N 3.27Å; E408-A410 PolarHBondContact O-N 3.31Å; E408-S411 CarbonylContact O-C 3.16Å; E408-S411 PolarHBondContact O-N 3.41Å; E408-P412 VanDerWaalsContact O-CA 3.29Å; E408-P412 WeakPolarHBondContact O-CA 3.36Å; E408-S413 WeakPolarHBondContact OE1-CB 3.36Å; E408-S413 PolarHBondContact OE1-N 2.78Å; E408-S413 PolarHBondContact OE1-OG 3.29Å; E408-S413 PolarHBondContact OE2-OG 3.46Å; E408-S413 VanDerWaalsContact OE2-OG 3.1Å |
| 409 | S | 94.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -28 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | Q405 L406 P418 D422 | Q405-S409 WeakPolarHBondContact O-CB 3.34Å; Q405-S409 PolarHBondContact O-N 3.32Å; Q405-S409 PolarHBondContact O-OG 3.41Å; L406-S409 WeakPolarHBondContact CA-OG 3.25Å; L406-S409 PolarHBondContact O-OG 2.67Å; L406-S409 VanDerWaalsContact O-OG 3.13Å; S409-P418 WeakPolarHBondContact O-CB 3.41Å; S409-D422 WeakPolarHBondContact CB-OD2 3.15Å |
| 410 | A | 93.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -86.2 | -22.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L406 F407 E408 Y423 V479 V480 F504 | L406-A410 PolarHBondContact O-N 3.22Å; F407-A410 PolarHBondContact O-N 3.35Å; E408-A410 VanDerWaalsContact C-N 3.27Å; E408-A410 PolarHBondContact O-N 3.31Å; A410-Y423 HydrophobicContact CB-CD2 3.84Å; A410-Y423 HydrophobicContact CB-CE2 3.72Å; A410-V479 WeakPolarHBondContact O-CG1 3.46Å; A410-V480 HydrophobicContact CB-CG2 3.98Å; A410-F504 HydrophobicContact CB-CE1 3.81Å; A410-F504 HydrophobicContact CB-CZ 4.45Å |
| 411 | S | 90.5 | Very high | 90.7 | Very high | 29 Ų | 29 | 53.6 Ų | 53.6 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -145.5 | 76.1 | -179.2 | -75.4 | 0 | 0 | 0 | 0 | 111 | F407 E408 S413 V479 | F407-S411 PolarHBondContact O-N 3.22Å; E408-S411 CarbonylContact O-C 3.16Å; E408-S411 PolarHBondContact O-N 3.41Å; S411-S413 PolarHBondContact O-N 3.11Å; S411-V479 WeakPolarHBondContact OG-CG1 3.3Å |
| 412 | P | 89.1 | Confident | 90.7 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | trans | -64.1 | 129.3 | -173.2 | -24.2 | 35 | 0 | 0 | 0 | 112.7 | E408 S414 G415 P418 | E408-P412 VanDerWaalsContact O-CA 3.29Å; E408-P412 WeakPolarHBondContact O-CA 3.36Å; P412-S414 PolarHBondContact O-N 2.94Å; P412-S414 VanDerWaalsContact O-N 3.09Å; P412-G415 PolarHBondContact O-N 3.39Å; P412-P418 HydrophobicContact CG-CB 4.4Å | ||
| 413 | S | 85.4 | Confident | 90.7 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 57% | 0.573 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.2 | 177.1 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | E408 S411 G415 | E408-S413 WeakPolarHBondContact OE1-CB 3.36Å; E408-S413 PolarHBondContact OE1-N 2.78Å; E408-S413 PolarHBondContact OE1-OG 3.29Å; E408-S413 PolarHBondContact OE2-OG 3.46Å; E408-S413 VanDerWaalsContact OE2-OG 3.1Å; S411-S413 PolarHBondContact O-N 3.11Å; S413-G415 PolarHBondContact O-N 3.27Å |
| 414 | S | 81.1 | Confident | 90.5 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 57% | 0.573 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -11 | 172.8 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | P412 N416 | P412-S414 PolarHBondContact O-N 2.94Å; P412-S414 VanDerWaalsContact O-N 3.09Å; S414-N416 PolarHBondContact O-N 2.95Å; S414-N416 PolarHBondContact OG-ND2 3.39Å |
| 415 | G | 76.8 | Confident | 90.5 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 69% | 0.691 | 33% | 0.331 | S | S | * | . | trans | 76.5 | 0.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P412 S413 | P412-G415 PolarHBondContact O-N 3.39Å; S413-G415 PolarHBondContact O-N 3.27Å | ||
| 416 | N | 83.8 | Confident | 90.5 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 161.1 | 175.4 | -72.3 | -13.2 | 0 | 0 | 0 | 111.9 | S414 | S414-N416 PolarHBondContact O-N 2.95Å; S414-N416 PolarHBondContact OG-ND2 3.39Å |
| 417 | L | 87.2 | Confident | 90.5 | Very high | 111 Ų | 111 | 57 Ų | 57 | 58% | 0.581 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 137.6 | 166.5 | -71.2 | 166.7 | 0 | 0 | 0 | 109.8 | A483 P485 | L417-A483 HydrophobicContact CD2-CB 4.29Å; L417-A483 VanDerWaalsContact CD2-O 3.27Å; L417-A483 WeakPolarHBondContact CD2-O 3.47Å; L417-P485 HydrophobicContact CD2-CG 4.41Å |
| 418 | P | 89.8 | Confident | 90.4 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 133.8 | 179.2 | 26.8 | -33.3 | 0 | 0 | 0 | 111.2 | S409 P412 Q420 V480 A483 | S409-P418 WeakPolarHBondContact O-CB 3.41Å; P412-P418 HydrophobicContact CG-CB 4.4Å; P418-Q420 PolarHBondContact O-N 3.06Å; P418-V480 HydrophobicContact CB-CG1 4.37Å; P418-V480 HydrophobicContact CB-CG2 4.18Å; P418-V480 HydrophobicContact CG-CB 4.32Å; P418-V480 HydrophobicContact CG-CG1 4.07Å; P418-V480 HydrophobicContact CG-CG2 4.3Å; P418-A483 HydrophobicContact CG-CB 3.67Å |
| 419 | D | 90.4 | Very high | 90.4 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 120.6 | 171.6 | 178.6 | 16.5 | 0 | 0 | 0 | 110 | N421 D422 Y423 | D419-N421 PolarHBondContact O-N 2.87Å; D419-N421 PolarHBondContact OD1-N 3.4Å; D419-D422 HydrophobicContact CB-CB 4.18Å; D419-D422 PolarHBondContact OD2-N 2.99Å; D419-Y423 WeakPolarHBondContact O-CB 3.45Å; D419-Y423 PolarHBondContact O-N 3.4Å |
| 420 | Q | 90.2 | Very high | 90.5 | Very high | 83 Ų | 83 | 62.5 Ų | 62.5 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.1 | -23.5 | 178.5 | -163.8 | 168.7 | 57 | 0 | 0 | 112.3 | P418 N424 V480 | P418-Q420 PolarHBondContact O-N 3.06Å; Q420-N424 VanDerWaalsContact O-CB 3.3Å; Q420-N424 WeakPolarHBondContact O-CB 3.38Å; Q420-N424 PolarHBondContact O-N 3.38Å; Q420-N424 PolarHBondContact O-ND2 3.31Å; Q420-V480 HydrophobicContact CB-CG1 4.29Å; Q420-V480 HydrophobicContact CG-CG1 4.31Å |
| 421 | N | 91.5 | Very high | 90.5 | Very high | 115 Ų | 115 | 64.4 Ų | 64.4 | 62% | 0.615 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74 | -50.3 | 174.9 | -68 | -50.5 | 0 | 0 | 0 | 112 | D419 Y423 N424 V425 | D419-N421 PolarHBondContact O-N 2.87Å; D419-N421 PolarHBondContact OD1-N 3.4Å; N421-Y423 VanDerWaalsContact C-N 3.33Å; N421-Y423 PolarHBondContact O-N 3.4Å; N421-N424 WeakPolarHBondContact O-CB 3.39Å; N421-N424 PolarHBondContact O-N 3.06Å; N421-N424 VanDerWaalsContact O-N 3.09Å; N421-V425 PolarHBondContact O-N 3.41Å |
| 422 | D | 93.1 | Very high | 90.6 | Very high | 68 Ų | 68 | 67.4 Ų | 67.4 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 172.2 | -178.9 | 52.2 | 0 | 0 | 0 | 111.3 | S409 D419 N424 V425 K426 | S409-D422 WeakPolarHBondContact CB-OD2 3.15Å; D419-D422 HydrophobicContact CB-CB 4.18Å; D419-D422 PolarHBondContact OD2-N 2.99Å; D422-N424 VanDerWaalsContact C-N 3.28Å; D422-N424 PolarHBondContact O-N 2.99Å; D422-V425 WeakPolarHBondContact O-CA 3.25Å; D422-V425 WeakPolarHBondContact O-CB 3.41Å; D422-V425 PolarHBondContact O-N 3.45Å; D422-K426 PolarHBondContact O-N 2.96Å |
| 423 | Y | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.5 | -40.2 | 174.1 | -174.7 | -97.6 | 0 | 0 | 0 | 112.8 | L406 A410 D419 N421 V425 K426 M427 V473 G476 R477 V480 | L406-Y423 HydrophobicContact CD1-CD2 3.87Å; L406-Y423 HydrophobicContact CD1-CE1 4.48Å; L406-Y423 HydrophobicContact CD1-CE2 3.28Å; L406-Y423 HydrophobicContact CG-CE2 3.88Å; A410-Y423 HydrophobicContact CB-CD2 3.84Å; A410-Y423 HydrophobicContact CB-CE2 3.72Å; D419-Y423 WeakPolarHBondContact O-CB 3.45Å; D419-Y423 PolarHBondContact O-N 3.4Å; N421-Y423 VanDerWaalsContact C-N 3.33Å; N421-Y423 PolarHBondContact O-N 3.4Å; Y423-V425 VanDerWaalsContact C-N 3.29Å; Y423-V425 PolarHBondContact O-N 3.38Å; Y423-K426 PolarHBondContact O-N 3.09Å; Y423-M427 WeakPolarHBondContact O-CB 3.34Å; Y423-M427 PolarHBondContact O-N 3.11Å; Y423-V473 PolarHBondContact OH-O 3.46Å; Y423-G476 VanDerWaalsContact OH-C 3.27Å; Y423-G476 VanDerWaalsContact OH-CA 3.31Å; Y423-G476 WeakPolarHBondContact OH-CA 3.28Å; Y423-R477 HydrophobicContact CE1-CB 4.03Å; Y423-R477 PolarHBondContact OH-N 2.88Å; Y423-R477 VanDerWaalsContact OH-N 3.16Å; Y423-V480 HydrophobicContact CD1-CG2 4.19Å; Y423-V480 HydrophobicContact CD2-CG2 3.97Å; Y423-V480 HydrophobicContact CE2-CG2 4.42Å; Y423-V480 HydrophobicContact CG-CG2 3.86Å |
| 424 | N | 92.5 | Very high | 91.2 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.6 | -23.5 | 175.4 | -73.9 | -28.8 | 0 | 0 | 0 | 113.4 | Q420 N421 D422 K428 R477 | Q420-N424 VanDerWaalsContact O-CB 3.3Å; Q420-N424 WeakPolarHBondContact O-CB 3.38Å; Q420-N424 PolarHBondContact O-N 3.38Å; Q420-N424 PolarHBondContact O-ND2 3.31Å; N421-N424 WeakPolarHBondContact O-CB 3.39Å; N421-N424 PolarHBondContact O-N 3.06Å; N421-N424 VanDerWaalsContact O-N 3.09Å; D422-N424 VanDerWaalsContact C-N 3.28Å; D422-N424 PolarHBondContact O-N 2.99Å; N424-K428 WeakPolarHBondContact O-CG 3.48Å; N424-R477 PolarHBondContact OD1-NH1 3.27Å; N424-R477 PolarHBondContact OD1-NH2 3.37Å |
| 425 | V | 95 | Very high | 91.7 | Very high | 72 Ų | 72 | 62 Ų | 62 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -78.3 | -51.1 | 171.7 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | N421 D422 Y423 M427 K428 E429 | N421-V425 PolarHBondContact O-N 3.41Å; D422-V425 WeakPolarHBondContact O-CA 3.25Å; D422-V425 WeakPolarHBondContact O-CB 3.41Å; D422-V425 PolarHBondContact O-N 3.45Å; Y423-V425 VanDerWaalsContact C-N 3.29Å; Y423-V425 PolarHBondContact O-N 3.38Å; V425-M427 VanDerWaalsContact C-N 3.26Å; V425-M427 PolarHBondContact O-N 3.4Å; V425-K428 WeakPolarHBondContact O-CB 3.4Å; V425-K428 PolarHBondContact O-N 2.8Å; V425-E429 WeakPolarHBondContact CG1-OE1 3.33Å; V425-E429 PolarHBondContact O-N 3.37Å; V425-E429 VanDerWaalsContact O-N 3.09Å |
| 426 | K | 96.1 | Very high | 92.4 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -30.8 | 179 | -58.7 | -47.2 | 179.6 | -178.8 | 0 | 113.3 | Q405 L406 D422 Y423 K428 E429 F430 | Q405-K426 HydrophobicContact CB-CD 4.02Å; Q405-K426 HydrophobicContact CB-CG 4.27Å; Q405-K426 VanDerWaalsContact OE1-CE 3.3Å; L406-K426 HydrophobicContact CB-CB 4.49Å; L406-K426 HydrophobicContact CD1-CB 4.26Å; D422-K426 PolarHBondContact O-N 2.96Å; Y423-K426 PolarHBondContact O-N 3.09Å; K426-K428 VanDerWaalsContact C-N 3.35Å; K426-K428 PolarHBondContact O-N 3.33Å; K426-E429 WeakPolarHBondContact CD-OE2 3.48Å; K426-E429 IonicContact NZ-OE1 2.66Å; K426-E429 PolarHBondContact NZ-OE1 3.3Å; K426-E429 IonicContact NZ-OE2 2.63Å; K426-E429 PolarHBondContact NZ-OE2 2.87Å; K426-E429 PolarHBondContact O-N 3.27Å; K426-F430 WeakPolarHBondContact O-CB 3.22Å; K426-F430 PolarHBondContact O-N 3.24Å |
| 427 | M | 95.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 167.3 | 165.9 | 178.1 | 169.3 | 0 | 0 | 112.3 | L406 Y423 V425 L431 V473 R477 | L406-M427 HydrophobicContact CD1-CB 4.17Å; Y423-M427 WeakPolarHBondContact O-CB 3.34Å; Y423-M427 PolarHBondContact O-N 3.11Å; V425-M427 VanDerWaalsContact C-N 3.26Å; V425-M427 PolarHBondContact O-N 3.4Å; M427-L431 HydrophobicContact CE-CD1 3.88Å; M427-L431 HydrophobicContact CG-CD1 3.92Å; M427-L431 WeakPolarHBondContact O-CB 3.34Å; M427-L431 VanDerWaalsContact O-CG 3.27Å; M427-L431 WeakPolarHBondContact O-CG 3.3Å; M427-L431 PolarHBondContact O-N 3.03Å; M427-V473 HydrophobicContact CB-CG1 4.35Å; M427-V473 HydrophobicContact CE-CG1 3.83Å; M427-V473 HydrophobicContact CG-CG1 3.56Å; M427-V473 HydrophobicContact CG-CG2 4.12Å; M427-V473 HydrophobicContact SD-CG1 3.46Å; M427-V473 WeakPolarHBondContact SD-CG1 3.02Å; M427-R477 PolarHBondContact SD-NH2 3.3Å |
| 428 | K | 93.1 | Very high | 93.1 | Very high | 151 Ų | 151 | 53.5 Ų | 53.5 | 66% | 0.657 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -71.8 | -41.3 | -178.1 | -67.9 | 170.8 | -175.9 | 177.6 | 0 | 111.5 | N424 V425 K426 L431 N432 | N424-K428 WeakPolarHBondContact O-CG 3.48Å; V425-K428 WeakPolarHBondContact O-CB 3.4Å; V425-K428 PolarHBondContact O-N 2.8Å; K426-K428 VanDerWaalsContact C-N 3.35Å; K426-K428 PolarHBondContact O-N 3.33Å; K428-L431 PolarHBondContact O-N 2.78Å; K428-N432 VanDerWaalsContact O-CB 3.29Å; K428-N432 WeakPolarHBondContact O-CB 3.46Å; K428-N432 PolarHBondContact O-N 3.18Å |
| 429 | E | 94 | Very high | 93 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 174.9 | -67.3 | 174 | -162.2 | 0 | 0 | 111.3 | Q405 V425 K426 N432 Q433 | Q405-E429 PolarHBondContact OE1-OE2 2.67Å; V425-E429 WeakPolarHBondContact CG1-OE1 3.33Å; V425-E429 PolarHBondContact O-N 3.37Å; V425-E429 VanDerWaalsContact O-N 3.09Å; K426-E429 WeakPolarHBondContact CD-OE2 3.48Å; K426-E429 IonicContact NZ-OE1 2.66Å; K426-E429 PolarHBondContact NZ-OE1 3.3Å; K426-E429 IonicContact NZ-OE2 2.63Å; K426-E429 PolarHBondContact NZ-OE2 2.87Å; K426-E429 PolarHBondContact O-N 3.27Å; E429-N432 PolarHBondContact O-N 3.01Å; E429-Q433 PolarHBondContact O-N 3.33Å |
| 430 | F | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 178.2 | 172.7 | -113.7 | 0 | 0 | 0 | 113.3 | P402 L403 L406 K426 N432 Q433 C434 V472 V473 W511 | P402-F430 HydrophobicContact CB-CB 4.29Å; L403-F430 HydrophobicContact CB-CD2 3.84Å; L403-F430 HydrophobicContact CB-CE2 3.73Å; L403-F430 HydrophobicContact CD1-CD2 4.35Å; L403-F430 HydrophobicContact CD1-CE1 4.42Å; L403-F430 HydrophobicContact CD1-CE2 3.94Å; L403-F430 HydrophobicContact CD1-CZ 3.97Å; L403-F430 HydrophobicContact CD2-CE2 4.1Å; L403-F430 HydrophobicContact CD2-CZ 4.39Å; L403-F430 HydrophobicContact CG-CE2 4.13Å; L406-F430 HydrophobicContact CD2-CB 4.23Å; L406-F430 HydrophobicContact CD2-CD1 3.56Å; L406-F430 HydrophobicContact CD2-CE1 4.11Å; L406-F430 HydrophobicContact CD2-CG 3.98Å; K426-F430 WeakPolarHBondContact O-CB 3.22Å; K426-F430 PolarHBondContact O-N 3.24Å; F430-N432 VanDerWaalsContact C-N 3.31Å; F430-N432 PolarHBondContact O-N 3.12Å; F430-Q433 WeakPolarHBondContact O-CB 3.47Å; F430-Q433 PolarHBondContact O-N 3.07Å; F430-C434 PolarHBondContact O-N 3.05Å; F430-C434 PolarHBondContact O-SG 3.19Å; F430-V472 HydrophobicContact CE1-CB 4.25Å; F430-V472 HydrophobicContact CE1-CG1 4.21Å; F430-V472 HydrophobicContact CZ-CG1 4.39Å; F430-V473 HydrophobicContact CD1-CG2 3.79Å; F430-V473 HydrophobicContact CE1-CG2 4.14Å; F430-W511 HydrophobicContact CE2-CD2 4.07Å; F430-W511 AromaticContact CE2-CE2 3.65Å; F430-W511 HydrophobicContact CE2-CE3 4.31Å; F430-W511 AromaticContact CE2-CH2 3.84Å; F430-W511 HydrophobicContact CE2-CH2 3.84Å; F430-W511 AromaticContact CE2-CZ2 3.55Å; F430-W511 HydrophobicContact CE2-CZ2 3.55Å; F430-W511 HydrophobicContact CE2-CZ3 4.21Å; F430-W511 AromaticContact CZ-CD2 3.94Å; F430-W511 HydrophobicContact CZ-CD2 3.94Å; F430-W511 AromaticContact CZ-CE2 3.61Å; F430-W511 HydrophobicContact CZ-CG 4.23Å; F430-W511 AromaticContact CZ-CZ2 3.99Å; F430-W511 HydrophobicContact CZ-CZ2 3.99Å; F430-W511 AromaticContact CZ-NE1 3.66Å |
| 431 | L | 93.7 | Very high | 92.8 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -31.7 | 177.8 | -69.3 | 173.1 | 0 | 0 | 0 | 112.3 | M427 K428 C434 N435 V473 | M427-L431 HydrophobicContact CE-CD1 3.88Å; M427-L431 HydrophobicContact CG-CD1 3.92Å; M427-L431 WeakPolarHBondContact O-CB 3.34Å; M427-L431 VanDerWaalsContact O-CG 3.27Å; M427-L431 WeakPolarHBondContact O-CG 3.3Å; M427-L431 PolarHBondContact O-N 3.03Å; K428-L431 PolarHBondContact O-N 2.78Å; L431-C434 PolarHBondContact O-N 3.06Å; L431-N435 PolarHBondContact O-N 3.23Å; L431-N435 PolarHBondContact O-ND2 3.37Å; L431-V473 HydrophobicContact CD1-CG2 4.28Å; L431-V473 HydrophobicContact CD2-CG2 4.14Å; L431-V473 HydrophobicContact CG-CG2 4.1Å |
| 432 | N | 92.2 | Very high | 92.5 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 49% | 0.492 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 171.1 | -173.7 | 66.3 | 0 | 0 | 0 | 111.5 | K428 E429 F430 C434 N435 Q436 | K428-N432 VanDerWaalsContact O-CB 3.29Å; K428-N432 WeakPolarHBondContact O-CB 3.46Å; K428-N432 PolarHBondContact O-N 3.18Å; E429-N432 PolarHBondContact O-N 3.01Å; F430-N432 VanDerWaalsContact C-N 3.31Å; F430-N432 PolarHBondContact O-N 3.12Å; N432-C434 PolarHBondContact O-N 3.46Å; N432-N435 PolarHBondContact O-N 3.45Å; N432-Q436 PolarHBondContact ND2-NE2 3.49Å; N432-Q436 WeakPolarHBondContact O-CG 3.48Å; N432-Q436 PolarHBondContact O-N 3.49Å |
| 433 | Q | 93.8 | Very high | 92 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 173.9 | -171 | -167.2 | 24.2 | 0 | 0 | 112.1 | D398 L399 P402 E429 F430 N435 Q436 L437 | D398-Q433 PolarHBondContact O-NE2 2.73Å; L399-Q433 PolarHBondContact O-NE2 2.93Å; L399-Q433 VanDerWaalsContact O-NE2 3.13Å; P402-Q433 HydrophobicContact CG-CB 4.43Å; P402-Q433 HydrophobicContact CG-CG 4.43Å; P402-Q433 VanDerWaalsContact CG-OE1 3.28Å; E429-Q433 PolarHBondContact O-N 3.33Å; F430-Q433 WeakPolarHBondContact O-CB 3.47Å; F430-Q433 PolarHBondContact O-N 3.07Å; Q433-N435 VanDerWaalsContact C-N 3.32Å; Q433-N435 PolarHBondContact O-N 2.94Å; Q433-Q436 PolarHBondContact O-N 3.47Å; Q433-Q436 VanDerWaalsContact O-N 3.15Å; Q433-L437 HydrophobicContact CG-CD1 4.06Å; Q433-L437 HydrophobicContact CG-CG 4.41Å; Q433-L437 WeakPolarHBondContact O-CG 3.26Å; Q433-L437 PolarHBondContact O-N 3.11Å |
| 434 | C | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.7 | -47.5 | 175.8 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | F430 L431 N432 Q436 L437 V438 N466 | F430-C434 PolarHBondContact O-N 3.05Å; F430-C434 PolarHBondContact O-SG 3.19Å; L431-C434 PolarHBondContact O-N 3.06Å; N432-C434 PolarHBondContact O-N 3.46Å; C434-Q436 PolarHBondContact O-N 3.16Å; C434-L437 PolarHBondContact O-N 3.42Å; C434-V438 WeakPolarHBondContact O-CB 3.38Å; C434-V438 VanDerWaalsContact O-CG2 3.29Å; C434-V438 WeakPolarHBondContact O-CG2 3.39Å; C434-V438 PolarHBondContact O-N 2.91Å; C434-N466 VanDerWaalsContact CB-OD1 3.28Å; C434-N466 WeakPolarHBondContact CB-OD1 3.37Å |
| 435 | N | 90.9 | Very high | 90.8 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 176.2 | -73 | -66.9 | 0 | 0 | 0 | 113 | L431 N432 Q433 V438 N439 N466 | L431-N435 PolarHBondContact O-N 3.23Å; L431-N435 PolarHBondContact O-ND2 3.37Å; N432-N435 PolarHBondContact O-N 3.45Å; Q433-N435 VanDerWaalsContact C-N 3.32Å; Q433-N435 PolarHBondContact O-N 2.94Å; N435-V438 PolarHBondContact O-N 3.47Å; N435-N439 WeakPolarHBondContact O-CB 3.37Å; N435-N439 PolarHBondContact O-N 2.69Å; N435-N439 PolarHBondContact O-ND2 2.96Å; N435-N439 PolarHBondContact O-OD1 3.47Å; N435-N466 PolarHBondContact N-OD1 3.33Å; N435-N466 PolarHBondContact OD1-ND2 2.94Å |
| 436 | Q | 91.6 | Very high | 89.9 | Confident | 93 Ų | 93 | 41 Ų | 41 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 176.4 | -70.3 | 176.6 | -14.9 | 0 | 0 | 112.3 | V395 N432 Q433 C434 T440 | V395-Q436 HydrophobicContact CG1-CB 4.03Å; N432-Q436 PolarHBondContact ND2-NE2 3.49Å; N432-Q436 WeakPolarHBondContact O-CG 3.48Å; N432-Q436 PolarHBondContact O-N 3.49Å; Q433-Q436 PolarHBondContact O-N 3.47Å; Q433-Q436 VanDerWaalsContact O-N 3.15Å; C434-Q436 PolarHBondContact O-N 3.16Å; Q436-T440 WeakPolarHBondContact O-CB 3.39Å; Q436-T440 PolarHBondContact O-N 3.44Å; Q436-T440 VanDerWaalsContact O-N 3.11Å; Q436-T440 PolarHBondContact O-OG1 2.97Å |
| 437 | L | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 174.9 | -69.2 | 164.3 | 0 | 0 | 0 | 111.2 | V395 Y396 L399 Q433 C434 T440 G441 L465 W511 M518 | V395-L437 HydrophobicContact CG1-CD2 4.02Å; V395-L437 HydrophobicContact CG1-CG 4.36Å; Y396-L437 HydrophobicContact CD1-CD2 3.69Å; Y396-L437 HydrophobicContact CD2-CD2 4.12Å; Y396-L437 HydrophobicContact CE1-CD2 3.48Å; Y396-L437 VanDerWaalsContact CE1-CD2 3.48Å; Y396-L437 HydrophobicContact CE2-CD2 3.91Å; Y396-L437 HydrophobicContact CG-CD2 4Å; Y396-L437 PolarHBondContact OH-O 3.21Å; L399-L437 HydrophobicContact CD1-CD1 4.22Å; L399-L437 HydrophobicContact CD1-CD2 3.91Å; Q433-L437 HydrophobicContact CG-CD1 4.06Å; Q433-L437 HydrophobicContact CG-CG 4.41Å; Q433-L437 WeakPolarHBondContact O-CG 3.26Å; Q433-L437 PolarHBondContact O-N 3.11Å; C434-L437 PolarHBondContact O-N 3.42Å; L437-T440 PolarHBondContact O-N 3.15Å; L437-G441 PolarHBondContact O-N 3.47Å; L437-L465 HydrophobicContact CB-CD2 3.99Å; L437-L465 HydrophobicContact CD1-CD2 4.27Å; L437-W511 HydrophobicContact CD1-CH2 3.91Å; L437-W511 HydrophobicContact CD1-CZ2 3.94Å; L437-M518 WeakPolarHBondContact O-CE 3.41Å |
| 438 | V | 91.3 | Very high | 87.1 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 9% | 0.085 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -53.6 | 176.7 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | C434 N435 T440 G441 E442 T462 L465 N466 | C434-V438 WeakPolarHBondContact O-CB 3.38Å; C434-V438 VanDerWaalsContact O-CG2 3.29Å; C434-V438 WeakPolarHBondContact O-CG2 3.39Å; C434-V438 PolarHBondContact O-N 2.91Å; N435-V438 PolarHBondContact O-N 3.47Å; V438-T440 VanDerWaalsContact C-N 3.3Å; V438-T440 PolarHBondContact O-N 2.96Å; V438-G441 PolarHBondContact O-N 3.46Å; V438-E442 PolarHBondContact O-N 3.22Å; V438-T462 WeakPolarHBondContact CG2-O 3.45Å; V438-L465 HydrophobicContact CG2-CB 4.07Å; V438-L465 HydrophobicContact CG2-CD2 4.29Å; V438-N466 HydrophobicContact CG2-CB 4.42Å |
| 439 | N | 88 | Confident | 85.3 | Confident | 105 Ų | 105 | 32 Ų | 32 | 56% | 0.561 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -60.6 | -39.3 | -179.2 | -67.6 | -8 | 0 | 0 | 0 | 112.1 | N435 G441 L443 | N435-N439 WeakPolarHBondContact O-CB 3.37Å; N435-N439 PolarHBondContact O-N 2.69Å; N435-N439 PolarHBondContact O-ND2 2.96Å; N435-N439 PolarHBondContact O-OD1 3.47Å; N439-G441 VanDerWaalsContact C-N 3.35Å; N439-L443 WeakPolarHBondContact O-CB 3.41Å; N439-L443 PolarHBondContact O-N 3.38Å |
| 440 | T | 87.9 | Confident | 83.2 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.4 | -31.4 | 176.8 | -50.4 | 0 | 0 | 0 | 0 | 111.9 | Q391 I392 Y396 Q436 L437 V438 A444 | Q391-T440 HydrophobicContact CB-CG2 4.34Å; Q391-T440 HydrophobicContact CG-CG2 3.88Å; I392-T440 HydrophobicContact CG1-CG2 3.75Å; Y396-T440 HydrophobicContact CD2-CG2 4.33Å; Y396-T440 HydrophobicContact CE2-CG2 3.88Å; Q436-T440 WeakPolarHBondContact O-CB 3.39Å; Q436-T440 PolarHBondContact O-N 3.44Å; Q436-T440 VanDerWaalsContact O-N 3.11Å; Q436-T440 PolarHBondContact O-OG1 2.97Å; L437-T440 PolarHBondContact O-N 3.15Å; V438-T440 VanDerWaalsContact C-N 3.3Å; V438-T440 PolarHBondContact O-N 2.96Å; T440-A444 PolarHBondContact O-N 3.33Å; T440-A444 VanDerWaalsContact O-N 3.11Å |
| 441 | G | 89.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.9 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L437 V438 N439 L443 A444 A445 L458 | L437-G441 PolarHBondContact O-N 3.47Å; V438-G441 PolarHBondContact O-N 3.46Å; N439-G441 VanDerWaalsContact C-N 3.35Å; G441-L443 PolarHBondContact O-N 2.92Å; G441-A444 PolarHBondContact O-N 3.43Å; G441-A445 PolarHBondContact O-N 3.35Å; G441-L458 VanDerWaalsContact O-CD2 3.24Å; G441-L458 WeakPolarHBondContact O-CD2 3.24Å |
| 442 | E | 83.6 | Confident | 79.2 | Confident | 70 Ų | 70 | 33.5 Ų | 33.5 | 33% | 0.327 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 171.9 | -75.7 | -60.5 | 156.8 | 0 | 0 | 111.2 | V438 A444 A445 A446 T462 | V438-E442 PolarHBondContact O-N 3.22Å; E442-A444 PolarHBondContact O-N 3.12Å; E442-A445 PolarHBondContact O-N 3.15Å; E442-A446 WeakPolarHBondContact O-CB 3Å; E442-A446 PolarHBondContact O-N 2.84Å; E442-T462 HydrophobicContact CG-CG2 3.88Å; E442-T462 VanDerWaalsContact OE1-CB 3.25Å; E442-T462 WeakPolarHBondContact OE1-CB 3.4Å; E442-T462 PolarHBondContact OE1-OG1 3.48Å |
| 443 | L | 82.6 | Confident | 77.5 | Confident | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 174.4 | -179.1 | 64.6 | 0 | 0 | 0 | 112.2 | I309 L388 N439 G441 A446 T447 | I309-L443 HydrophobicContact CB-CD1 4.02Å; I309-L443 HydrophobicContact CD1-CD1 3.48Å; I309-L443 VanDerWaalsContact CD1-CD1 3.48Å; I309-L443 HydrophobicContact CG1-CD1 3.37Å; I309-L443 HydrophobicContact CG2-CD1 3.51Å; I309-L443 HydrophobicContact CG2-CD2 4.11Å; I309-L443 HydrophobicContact CG2-CG 4.47Å; L388-L443 HydrophobicContact CD1-CD2 3.92Å; L388-L443 HydrophobicContact CD1-CG 3.78Å; N439-L443 WeakPolarHBondContact O-CB 3.41Å; N439-L443 PolarHBondContact O-N 3.38Å; G441-L443 PolarHBondContact O-N 2.92Å; L443-A446 PolarHBondContact O-N 2.95Å; L443-T447 HydrophobicContact CD1-CG2 3.85Å; L443-T447 HydrophobicContact CG-CG2 4.28Å; L443-T447 WeakPolarHBondContact O-CB 3.38Å; L443-T447 WeakPolarHBondContact O-CG2 3.32Å; L443-T447 PolarHBondContact O-N 3.13Å; L443-T447 PolarHBondContact O-OG1 2.76Å |
| 444 | A | 84.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L388 I392 T440 G441 E442 T447 K448 L449 L458 V522 | L388-A444 HydrophobicContact CD1-CB 4.1Å; I392-A444 HydrophobicContact CD1-CB 4.3Å; T440-A444 PolarHBondContact O-N 3.33Å; T440-A444 VanDerWaalsContact O-N 3.11Å; G441-A444 PolarHBondContact O-N 3.43Å; E442-A444 PolarHBondContact O-N 3.12Å; A444-T447 WeakPolarHBondContact CA-OG1 3.41Å; A444-T447 PolarHBondContact O-OG1 3.33Å; A444-K448 PolarHBondContact O-N 3.33Å; A444-L449 PolarHBondContact O-N 3.01Å; A444-L458 HydrophobicContact CB-CD2 3.87Å; A444-V522 HydrophobicContact CB-CG1 4.46Å; A444-V522 HydrophobicContact CB-CG2 4.21Å |
| 445 | A | 79.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -33.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G441 E442 S455 L458 R459 | G441-A445 PolarHBondContact O-N 3.35Å; E442-A445 PolarHBondContact O-N 3.15Å; A445-S455 PolarHBondContact O-OG 3.5Å; A445-L458 HydrophobicContact CB-CB 4.32Å; A445-L458 HydrophobicContact CB-CD2 4.12Å; A445-L458 HydrophobicContact CB-CG 4.24Å; A445-R459 HydrophobicContact CB-CG 4.02Å; A445-R459 PolarHBondContact O-NH2 2.78Å |
| 446 | A | 74.2 | Confident | 73.9 | Confident | 35 Ų | 35 | 37.1 Ų | 37.1 | 29% | 0.289 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -81.5 | -29.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T272 L273 E442 L443 | T272-A446 WeakPolarHBondContact CA-O 3.45Å; L273-A446 PolarHBondContact N-O 3.4Å; E442-A446 WeakPolarHBondContact O-CB 3Å; E442-A446 PolarHBondContact O-N 2.84Å; L443-A446 PolarHBondContact O-N 2.95Å |
| 447 | T | 70.3 | Confident | 73 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -85.1 | -75.9 | -174.3 | 46 | 0 | 0 | 0 | 0 | 113.1 | L273 E274 I309 W381 L388 L443 A444 | L273-T447 HydrophobicContact CD1-CG2 4Å; E274-T447 PolarHBondContact N-O 3.02Å; E274-T447 VanDerWaalsContact N-O 3.17Å; I309-T447 HydrophobicContact CD1-CG2 3.91Å; W381-T447 WeakPolarHBondContact CH2-O 3.45Å; L388-T447 WeakPolarHBondContact CD2-OG1 3.41Å; L443-T447 HydrophobicContact CD1-CG2 3.85Å; L443-T447 HydrophobicContact CG-CG2 4.28Å; L443-T447 WeakPolarHBondContact O-CB 3.38Å; L443-T447 WeakPolarHBondContact O-CG2 3.32Å; L443-T447 PolarHBondContact O-N 3.13Å; L443-T447 PolarHBondContact O-OG1 2.76Å; A444-T447 WeakPolarHBondContact CA-OG1 3.41Å; A444-T447 PolarHBondContact O-OG1 3.33Å |
| 448 | K | 63.6 | Low | 72.5 | Confident | 38 Ų | 38 | 34.4 Ų | 34.4 | 17% | 0.165 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 3.3 | -154.8 | -175.6 | 169.1 | 169.5 | -171.9 | 0 | 114.8 | W381 E385 L388 A444 S450 A525 | W381-K448 HydrophobicContact CH2-CB 4.11Å; W381-K448 HydrophobicContact CH2-CG 4.5Å; W381-K448 HydrophobicContact CZ2-CB 4.43Å; W381-K448 HydrophobicContact CZ2-CD 4.47Å; W381-K448 HydrophobicContact CZ2-CG 4.34Å; E385-K448 IonicContact OE1-NZ 3.48Å; E385-K448 PolarHBondContact OE1-NZ 3.37Å; L388-K448 HydrophobicContact CD2-CB 4.07Å; A444-K448 PolarHBondContact O-N 3.33Å; K448-S450 PolarHBondContact O-N 2.69Å; K448-A525 WeakPolarHBondContact CD-O 3.4Å; K448-A525 WeakPolarHBondContact CE-O 3.2Å; K448-A525 WeakPolarHBondContact CG-O 3.39Å |
| 449 | L | 55.3 | Low | 72 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | trans | -78.5 | 76.7 | 167.7 | -73.7 | 179.2 | 0 | 0 | 0 | 110.3 | T272 A444 D451 R454 L458 A525 | T272-L449 WeakPolarHBondContact CG2-O 3.41Å; A444-L449 PolarHBondContact O-N 3.01Å; L449-D451 PolarHBondContact O-N 2.72Å; L449-D451 VanDerWaalsContact O-N 3.12Å; L449-R454 HydrophobicContact CD1-CB 4.16Å; L449-R454 HydrophobicContact CD2-CB 3.92Å; L449-R454 HydrophobicContact CG-CB 4.44Å; L449-L458 HydrophobicContact CD1-CB 4.14Å; L449-L458 HydrophobicContact CD1-CD2 3.59Å; L449-A525 HydrophobicContact CD2-CB 3.6Å; L449-A525 HydrophobicContact CG-CB 3.88Å | ||
| 450 | S | 50.5 | Low | 71.5 | Confident | 88 Ų | 88 | 34 Ų | 34 | 62% | 0.615 | 18% | 0.18 | S | C | * | . | trans | -52.8 | -23.2 | 172.4 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | E274 K448 | E274-S450 WeakPolarHBondContact OE2-CB 3.27Å; K448-S450 PolarHBondContact O-N 2.69Å | ||
| 451 | D | 53.5 | Low | 71.4 | Confident | 33 Ų | 33 | 34.6 Ų | 34.6 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -91 | 114.4 | 176.7 | -168.5 | -9.5 | 0 | 0 | 0 | 111.6 | L449 W453 R454 S455 | L449-D451 PolarHBondContact O-N 2.72Å; L449-D451 VanDerWaalsContact O-N 3.12Å; D451-W453 VanDerWaalsContact C-N 3.33Å; D451-W453 PolarHBondContact O-N 3.5Å; D451-W453 PolarHBondContact OD1-NE1 3.48Å; D451-W453 VanDerWaalsContact OD1-NE1 3.09Å; D451-W453 PolarHBondContact OD2-NE1 2.87Å; D451-R454 HydrophobicContact CB-CB 4.28Å; D451-R454 HydrophobicContact CB-CG 4.14Å; D451-R454 WeakPolarHBondContact O-CB 3.36Å; D451-R454 PolarHBondContact O-N 3.02Å; D451-R454 IonicContact OD2-CZ 2.77Å; D451-R454 IonicContact OD2-NH1 2.77Å; D451-R454 PolarHBondContact OD2-NH1 3.05Å; D451-S455 PolarHBondContact O-N 2.9Å |
| 452 | V | 51.6 | Low | 71.2 | Confident | 26 Ų | 26 | 34.6 Ų | 34.6 | 16% | 0.158 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.1 | -45.5 | -171.2 | -162.6 | 0 | 0 | 0 | 0 | 112.2 | D134 R454 S455 D456 | D134-V452 WeakPolarHBondContact OD1-CG2 3.44Å; V452-R454 VanDerWaalsContact C-N 3.31Å; V452-R454 PolarHBondContact O-N 2.98Å; V452-S455 PolarHBondContact O-N 3.07Å; V452-D456 PolarHBondContact O-N 2.9Å |
| 453 | W | 57.8 | Low | 71.1 | Confident | 143 Ų | 143 | 35.3 Ų | 35.3 | 54% | 0.542 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -71.4 | -27.8 | -177.7 | 74.2 | -94.4 | 0 | 0 | 0 | 112.1 | D451 A457 | D451-W453 VanDerWaalsContact C-N 3.33Å; D451-W453 PolarHBondContact O-N 3.5Å; D451-W453 PolarHBondContact OD1-NE1 3.48Å; D451-W453 VanDerWaalsContact OD1-NE1 3.09Å; D451-W453 PolarHBondContact OD2-NE1 2.87Å; W453-A457 HydrophobicContact CE3-CB 4.5Å; W453-A457 WeakPolarHBondContact O-CB 3.22Å; W453-A457 PolarHBondContact O-N 2.95Å |
| 454 | R | 67.9 | Low | 71.2 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 21% | 0.211 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.2 | -44 | 172.5 | -69 | -178 | 160.4 | 96.2 | -13.1 | 110.6 | L449 D451 V452 L458 E524 | L449-R454 HydrophobicContact CD1-CB 4.16Å; L449-R454 HydrophobicContact CD2-CB 3.92Å; L449-R454 HydrophobicContact CG-CB 4.44Å; D451-R454 HydrophobicContact CB-CB 4.28Å; D451-R454 HydrophobicContact CB-CG 4.14Å; D451-R454 WeakPolarHBondContact O-CB 3.36Å; D451-R454 PolarHBondContact O-N 3.02Å; D451-R454 IonicContact OD2-CZ 2.77Å; D451-R454 IonicContact OD2-NH1 2.77Å; D451-R454 PolarHBondContact OD2-NH1 3.05Å; V452-R454 VanDerWaalsContact C-N 3.31Å; V452-R454 PolarHBondContact O-N 2.98Å; R454-L458 VanDerWaalsContact O-CB 3.27Å; R454-L458 WeakPolarHBondContact O-CB 3.48Å; R454-L458 PolarHBondContact O-N 2.63Å; R454-E524 IonicContact CZ-OE1 3.36Å; R454-E524 IonicContact CZ-OE2 3.49Å; R454-E524 VanDerWaalsContact CZ-OE2 3.3Å; R454-E524 IonicContact NE-OE1 3.37Å; R454-E524 IonicContact NE-OE2 3.23Å; R454-E524 PolarHBondContact NE-OE2 2.77Å; R454-E524 IonicContact NH2-OE1 2.73Å; R454-E524 PolarHBondContact NH2-OE1 3.19Å; R454-E524 IonicContact NH2-OE2 3.39Å; R454-E524 PolarHBondContact NH2-OE2 2.86Å |
| 455 | S | 68.2 | Low | 71.6 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59 | -50 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | A445 D451 V452 L458 R459 | A445-S455 PolarHBondContact O-OG 3.5Å; D451-S455 PolarHBondContact O-N 2.9Å; V452-S455 PolarHBondContact O-N 3.07Å; S455-L458 PolarHBondContact O-N 2.93Å; S455-R459 WeakPolarHBondContact O-CG 3.45Å; S455-R459 PolarHBondContact O-N 2.8Å; S455-R459 PolarHBondContact OG-NH1 2.91Å; S455-R459 PolarHBondContact OG-NH2 3.39Å |
| 456 | D | 66.2 | Low | 72 | Confident | 48 Ų | 48 | 39 Ų | 39 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -77.5 | -28.5 | -178.6 | -78.6 | -4.3 | 0 | 0 | 0 | 113.6 | R271 V452 L458 R459 C460 | R271-D456 IonicContact CZ-OD2 3.66Å; R271-D456 IonicContact NH1-OD1 2.63Å; R271-D456 PolarHBondContact NH1-OD1 3.43Å; R271-D456 IonicContact NH1-OD2 2.69Å; R271-D456 PolarHBondContact NH1-OD2 3.02Å; R271-D456 IonicContact NH2-OD2 3.41Å; V452-D456 PolarHBondContact O-N 2.9Å; D456-L458 VanDerWaalsContact C-N 3.35Å; D456-R459 PolarHBondContact O-N 3.19Å; D456-R459 IonicContact OD1-CZ 3.81Å; D456-R459 IonicContact OD1-NH1 2.75Å; D456-R459 PolarHBondContact OD1-NH1 3.37Å; D456-C460 WeakPolarHBondContact O-CB 3.25Å; D456-C460 PolarHBondContact O-N 3.2Å |
| 457 | A | 73.6 | Confident | 72.7 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 30% | 0.298 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.9 | -36.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W453 C460 L461 L521 | W453-A457 HydrophobicContact CE3-CB 4.5Å; W453-A457 WeakPolarHBondContact O-CB 3.22Å; W453-A457 PolarHBondContact O-N 2.95Å; A457-C460 WeakPolarHBondContact O-CB 3.35Å; A457-C460 PolarHBondContact O-N 2.85Å; A457-L461 WeakPolarHBondContact O-CG 3.16Å; A457-L461 PolarHBondContact O-N 3.27Å; A457-L461 VanDerWaalsContact O-N 3.1Å; A457-L521 HydrophobicContact CB-CD1 4.33Å |
| 458 | L | 82.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 173.7 | -176.7 | 53.1 | 0 | 0 | 0 | 111.1 | G441 A444 A445 L449 R454 S455 D456 C460 L461 T462 M518 L521 V522 | G441-L458 VanDerWaalsContact O-CD2 3.24Å; G441-L458 WeakPolarHBondContact O-CD2 3.24Å; A444-L458 HydrophobicContact CB-CD2 3.87Å; A445-L458 HydrophobicContact CB-CB 4.32Å; A445-L458 HydrophobicContact CB-CD2 4.12Å; A445-L458 HydrophobicContact CB-CG 4.24Å; L449-L458 HydrophobicContact CD1-CB 4.14Å; L449-L458 HydrophobicContact CD1-CD2 3.59Å; R454-L458 VanDerWaalsContact O-CB 3.27Å; R454-L458 WeakPolarHBondContact O-CB 3.48Å; R454-L458 PolarHBondContact O-N 2.63Å; S455-L458 PolarHBondContact O-N 2.93Å; D456-L458 VanDerWaalsContact C-N 3.35Å; L458-C460 PolarHBondContact O-N 3.18Å; L458-L461 PolarHBondContact O-N 3.14Å; L458-T462 HydrophobicContact CD1-CG2 4.48Å; L458-T462 WeakPolarHBondContact O-CG2 3.43Å; L458-T462 PolarHBondContact O-N 2.9Å; L458-T462 PolarHBondContact O-OG1 2.88Å; L458-M518 HydrophobicContact CD1-CE 4.2Å; L458-M518 HydrophobicContact CD1-CG 3.63Å; L458-L521 HydrophobicContact CB-CD1 4.22Å; L458-V522 HydrophobicContact CD1-CG2 3.79Å; L458-V522 HydrophobicContact CD2-CG2 3.68Å; L458-V522 HydrophobicContact CG-CG2 4.42Å |
| 459 | R | 80.7 | Confident | 75.3 | Confident | 61 Ų | 61 | 39.6 Ų | 39.6 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -30.7 | 170.9 | -72.4 | 179.1 | -178 | 116.1 | 11.6 | 113.9 | A445 S455 D456 T462 S463 | A445-R459 HydrophobicContact CB-CG 4.02Å; A445-R459 PolarHBondContact O-NH2 2.78Å; S455-R459 WeakPolarHBondContact O-CG 3.45Å; S455-R459 PolarHBondContact O-N 2.8Å; S455-R459 PolarHBondContact OG-NH1 2.91Å; S455-R459 PolarHBondContact OG-NH2 3.39Å; D456-R459 PolarHBondContact O-N 3.19Å; D456-R459 IonicContact OD1-CZ 3.81Å; D456-R459 IonicContact OD1-NH1 2.75Å; D456-R459 PolarHBondContact OD1-NH1 3.37Å; R459-T462 VanDerWaalsContact C-OG1 3.27Å; R459-T462 WeakPolarHBondContact CA-OG1 3.46Å; R459-T462 PolarHBondContact O-OG1 2.96Å; R459-S463 WeakPolarHBondContact O-CB 3.43Å; R459-S463 PolarHBondContact O-N 3.04Å; R459-S463 PolarHBondContact O-OG 3.37Å |
| 460 | C | 77.3 | Confident | 77.1 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 34% | 0.338 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 172.5 | -165.3 | 0 | 0 | 0 | 0 | 110.8 | D456 A457 L458 S463 Q464 | D456-C460 WeakPolarHBondContact O-CB 3.25Å; D456-C460 PolarHBondContact O-N 3.2Å; A457-C460 WeakPolarHBondContact O-CB 3.35Å; A457-C460 PolarHBondContact O-N 2.85Å; L458-C460 PolarHBondContact O-N 3.18Å; C460-S463 PolarHBondContact O-OG 2.78Å; C460-Q464 VanDerWaalsContact O-CG 3.24Å; C460-Q464 WeakPolarHBondContact O-CG 3.17Å; C460-Q464 PolarHBondContact O-N 3.3Å |
| 461 | L | 85.4 | Confident | 79.2 | Confident | 14 Ų | 14 | 37.7 Ų | 37.7 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73 | -39.4 | 179.3 | -67.2 | 166.8 | 0 | 0 | 0 | 113.2 | A457 L458 Q464 L465 T514 R517 M518 L521 | A457-L461 WeakPolarHBondContact O-CG 3.16Å; A457-L461 PolarHBondContact O-N 3.27Å; A457-L461 VanDerWaalsContact O-N 3.1Å; L458-L461 PolarHBondContact O-N 3.14Å; L461-Q464 PolarHBondContact O-N 2.92Å; L461-L465 WeakPolarHBondContact O-CB 3.29Å; L461-L465 PolarHBondContact O-N 3.4Å; L461-T514 HydrophobicContact CD2-CG2 3.76Å; L461-R517 HydrophobicContact CD1-CB 4.22Å; L461-M518 HydrophobicContact CB-CB 4.3Å; L461-M518 HydrophobicContact CB-CG 4.38Å; L461-M518 HydrophobicContact CD1-CB 4.28Å; L461-L521 HydrophobicContact CD1-CD1 3.82Å |
| 462 | T | 86.5 | Confident | 81.3 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -48.9 | 174.9 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | V438 E442 L458 R459 Q464 L465 M518 | V438-T462 WeakPolarHBondContact CG2-O 3.45Å; E442-T462 HydrophobicContact CG-CG2 3.88Å; E442-T462 VanDerWaalsContact OE1-CB 3.25Å; E442-T462 WeakPolarHBondContact OE1-CB 3.4Å; E442-T462 PolarHBondContact OE1-OG1 3.48Å; L458-T462 HydrophobicContact CD1-CG2 4.48Å; L458-T462 WeakPolarHBondContact O-CG2 3.43Å; L458-T462 PolarHBondContact O-N 2.9Å; L458-T462 PolarHBondContact O-OG1 2.88Å; R459-T462 VanDerWaalsContact C-OG1 3.27Å; R459-T462 WeakPolarHBondContact CA-OG1 3.46Å; R459-T462 PolarHBondContact O-OG1 2.96Å; T462-Q464 VanDerWaalsContact C-N 3.31Å; T462-Q464 PolarHBondContact O-N 2.95Å; T462-L465 PolarHBondContact O-N 2.75Å; T462-M518 HydrophobicContact CG2-CE 3.39Å |
| 463 | S | 82 | Confident | 83.5 | Confident | 84 Ų | 84 | 35.1 Ų | 35.1 | 59% | 0.587 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -66 | -31.7 | -179 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | R459 C460 | R459-S463 WeakPolarHBondContact O-CB 3.43Å; R459-S463 PolarHBondContact O-N 3.04Å; R459-S463 PolarHBondContact O-OG 3.37Å; C460-S463 PolarHBondContact O-OG 2.78Å |
| 464 | Q | 84.6 | Confident | 85.2 | Confident | 45 Ų | 45 | 30.5 Ų | 30.5 | 21% | 0.21 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -77.1 | -40.1 | 175.7 | -71.8 | 174.5 | 5.1 | 0 | 0 | 113.7 | C460 L461 T462 N466 E467 L468 | C460-Q464 VanDerWaalsContact O-CG 3.24Å; C460-Q464 WeakPolarHBondContact O-CG 3.17Å; C460-Q464 PolarHBondContact O-N 3.3Å; L461-Q464 PolarHBondContact O-N 2.92Å; T462-Q464 VanDerWaalsContact C-N 3.31Å; T462-Q464 PolarHBondContact O-N 2.95Å; Q464-N466 VanDerWaalsContact C-N 3.31Å; Q464-N466 PolarHBondContact O-N 3.29Å; Q464-E467 PolarHBondContact O-N 2.79Å; Q464-L468 WeakPolarHBondContact O-CB 3.25Å; Q464-L468 PolarHBondContact O-N 2.78Å |
| 465 | L | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -36.8 | -165.9 | -169.7 | 71.1 | 0 | 0 | 0 | 113.4 | L437 V438 L461 T462 G469 W511 T514 A515 M518 | L437-L465 HydrophobicContact CB-CD2 3.99Å; L437-L465 HydrophobicContact CD1-CD2 4.27Å; V438-L465 HydrophobicContact CG2-CB 4.07Å; V438-L465 HydrophobicContact CG2-CD2 4.29Å; L461-L465 WeakPolarHBondContact O-CB 3.29Å; L461-L465 PolarHBondContact O-N 3.4Å; T462-L465 PolarHBondContact O-N 2.75Å; L465-G469 PolarHBondContact O-N 2.98Å; L465-W511 HydrophobicContact CD1-CD2 4.23Å; L465-W511 HydrophobicContact CD1-CG 4.25Å; L465-W511 HydrophobicContact CD1-CZ2 4.25Å; L465-W511 HydrophobicContact CD2-CZ2 4.4Å; L465-W511 HydrophobicContact CG-CZ2 4.49Å; L465-T514 HydrophobicContact CD1-CG2 4.25Å; L465-A515 HydrophobicContact CD1-CB 3.97Å; L465-M518 HydrophobicContact CD2-SD 3.7Å |
| 466 | N | 89.3 | Confident | 87.9 | Confident | 48 Ų | 48 | 27.8 Ų | 27.8 | 26% | 0.257 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.1 | -42.3 | 179.5 | -99.4 | -6.8 | 0 | 0 | 0 | 112.8 | C434 N435 V438 Q464 G469 A470 | C434-N466 VanDerWaalsContact CB-OD1 3.28Å; C434-N466 WeakPolarHBondContact CB-OD1 3.37Å; N435-N466 PolarHBondContact N-OD1 3.33Å; N435-N466 PolarHBondContact OD1-ND2 2.94Å; V438-N466 HydrophobicContact CG2-CB 4.42Å; Q464-N466 VanDerWaalsContact C-N 3.31Å; Q464-N466 PolarHBondContact O-N 3.29Å; N466-G469 PolarHBondContact O-N 3.44Å; N466-A470 PolarHBondContact O-N 3.06Å |
| 467 | E | 88 | Confident | 89.2 | Confident | 87 Ų | 87 | 27.6 Ų | 27.6 | 41% | 0.407 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 175.4 | -165.8 | 179.6 | -175.4 | 0 | 0 | 110.1 | F105 K171 Q464 G469 A470 Q471 | F105-E467 HydrophobicContact CD2-CG 3.82Å; F105-E467 WeakPolarHBondContact CD2-OE1 3.46Å; F105-E467 HydrophobicContact CE2-CB 4.1Å; F105-E467 HydrophobicContact CE2-CG 3.67Å; K171-E467 IonicContact NZ-OE1 3.86Å; K171-E467 PolarHBondContact NZ-OE1 2.96Å; K171-E467 IonicContact NZ-OE2 3.35Å; Q464-E467 PolarHBondContact O-N 2.79Å; E467-G469 VanDerWaalsContact C-N 3.31Å; E467-G469 PolarHBondContact O-N 2.98Å; E467-A470 WeakPolarHBondContact O-CB 3.41Å; E467-A470 PolarHBondContact O-N 3.41Å; E467-A470 VanDerWaalsContact O-N 3.15Å; E467-Q471 WeakPolarHBondContact O-CG 3.38Å; E467-Q471 PolarHBondContact O-N 2.73Å; E467-Q471 VanDerWaalsContact O-N 3.11Å |
| 468 | L | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 176.3 | -179.7 | 54.3 | 0 | 0 | 0 | 112.1 | F105 Q464 A470 Q471 V472 M507 H510 W511 T514 | F105-L468 HydrophobicContact CE1-CD1 3.91Å; F105-L468 HydrophobicContact CZ-CB 4.19Å; F105-L468 HydrophobicContact CZ-CD1 4.22Å; Q464-L468 WeakPolarHBondContact O-CB 3.25Å; Q464-L468 PolarHBondContact O-N 2.78Å; L468-A470 PolarHBondContact O-N 2.79Å; L468-Q471 WeakPolarHBondContact O-CB 3.33Å; L468-Q471 PolarHBondContact O-N 2.71Å; L468-Q471 VanDerWaalsContact O-N 3.1Å; L468-V472 WeakPolarHBondContact O-CG2 2.82Å; L468-V472 PolarHBondContact O-N 3.44Å; L468-M507 HydrophobicContact CD1-CE 3.79Å; L468-H510 VanDerWaalsContact CD1-ND1 3.27Å; L468-H510 WeakPolarHBondContact CD1-ND1 3.37Å; L468-H510 WeakPolarHBondContact CD2-ND1 3.44Å; L468-W511 HydrophobicContact CD2-CB 4.2Å; L468-W511 HydrophobicContact CG-CB 4.15Å; L468-T514 HydrophobicContact CD2-CG2 4.47Å |
| 469 | G | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L465 N466 E467 Q471 V472 V473 | L465-G469 PolarHBondContact O-N 2.98Å; N466-G469 PolarHBondContact O-N 3.44Å; E467-G469 VanDerWaalsContact C-N 3.31Å; E467-G469 PolarHBondContact O-N 2.98Å; G469-Q471 VanDerWaalsContact C-N 3.27Å; G469-Q471 PolarHBondContact O-N 2.67Å; G469-V472 PolarHBondContact O-N 2.9Å; G469-V473 PolarHBondContact O-N 3.22Å; G469-V473 VanDerWaalsContact O-N 3.16Å |
| 470 | A | 94 | Very high | 91.3 | Very high | 39 Ų | 39 | 23.7 Ų | 23.7 | 32% | 0.322 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.4 | -35.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N466 E467 L468 V473 L474 | N466-A470 PolarHBondContact O-N 3.06Å; E467-A470 WeakPolarHBondContact O-CB 3.41Å; E467-A470 PolarHBondContact O-N 3.41Å; E467-A470 VanDerWaalsContact O-N 3.15Å; L468-A470 PolarHBondContact O-N 2.79Å; A470-V473 WeakPolarHBondContact O-CB 3.3Å; A470-V473 PolarHBondContact O-N 3.37Å; A470-L474 WeakPolarHBondContact O-CG 3.4Å; A470-L474 PolarHBondContact O-N 3.08Å; A470-L474 VanDerWaalsContact O-N 3.09Å |
| 471 | Q | 94.6 | Very high | 92 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.4 | -36.3 | 178.9 | -61.6 | -67.9 | -19.1 | 0 | 0 | 112.8 | A101 N102 F105 E467 L468 G469 V473 L474 A475 M507 | A101-Q471 PolarHBondContact O-OE1 3.37Å; N102-Q471 PolarHBondContact ND2-O 2.76Å; N102-Q471 PolarHBondContact ND2-OE1 3.46Å; F105-Q471 VanDerWaalsContact CB-CD 3.49Å; F105-Q471 HydrophobicContact CB-CG 3.86Å; F105-Q471 HydrophobicContact CD1-CB 4.21Å; F105-Q471 HydrophobicContact CD1-CG 3.73Å; F105-Q471 HydrophobicContact CD2-CG 3.81Å; F105-Q471 HydrophobicContact CE1-CG 4.23Å; F105-Q471 HydrophobicContact CE2-CG 4.3Å; F105-Q471 HydrophobicContact CG-CB 4.46Å; F105-Q471 HydrophobicContact CG-CG 3.51Å; E467-Q471 WeakPolarHBondContact O-CG 3.38Å; E467-Q471 PolarHBondContact O-N 2.73Å; E467-Q471 VanDerWaalsContact O-N 3.11Å; L468-Q471 WeakPolarHBondContact O-CB 3.33Å; L468-Q471 PolarHBondContact O-N 2.71Å; L468-Q471 VanDerWaalsContact O-N 3.1Å; G469-Q471 VanDerWaalsContact C-N 3.27Å; G469-Q471 PolarHBondContact O-N 2.67Å; Q471-V473 VanDerWaalsContact C-N 3.3Å; Q471-V473 PolarHBondContact O-N 3.3Å; Q471-L474 PolarHBondContact O-N 2.94Å; Q471-A475 PolarHBondContact O-N 2.94Å; Q471-M507 HydrophobicContact CB-CE 3.57Å |
| 472 | V | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 169.3 | 174 | 0 | 0 | 0 | 0 | 110.9 | L403 L406 F430 L468 G469 L474 A475 G476 F504 M507 W511 | L403-V472 HydrophobicContact CD1-CG1 3.67Å; L406-V472 HydrophobicContact CD2-CG1 4.48Å; F430-V472 HydrophobicContact CE1-CB 4.25Å; F430-V472 HydrophobicContact CE1-CG1 4.21Å; F430-V472 HydrophobicContact CZ-CG1 4.39Å; L468-V472 WeakPolarHBondContact O-CG2 2.82Å; L468-V472 PolarHBondContact O-N 3.44Å; G469-V472 PolarHBondContact O-N 2.9Å; V472-L474 VanDerWaalsContact C-N 3.34Å; V472-L474 PolarHBondContact O-N 3.3Å; V472-A475 PolarHBondContact O-N 3.37Å; V472-G476 PolarHBondContact O-N 3.09Å; V472-F504 HydrophobicContact CG1-CD2 4.41Å; V472-F504 HydrophobicContact CG1-CE2 3.81Å; V472-F504 WeakPolarHBondContact O-CE2 3.45Å; V472-M507 HydrophobicContact CG2-CB 4.21Å; V472-M507 WeakPolarHBondContact CG2-O 3.4Å; V472-W511 HydrophobicContact CG2-CB 3.75Å; V472-W511 HydrophobicContact CG2-CG 4.28Å |
| 473 | V | 96.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -36.5 | 176.3 | 163.7 | 0 | 0 | 0 | 0 | 112.6 | L406 Y423 M427 F430 L431 G469 A470 Q471 R477 | L406-V473 HydrophobicContact CD2-CG2 3.87Å; Y423-V473 PolarHBondContact OH-O 3.46Å; M427-V473 HydrophobicContact CB-CG1 4.35Å; M427-V473 HydrophobicContact CE-CG1 3.83Å; M427-V473 HydrophobicContact CG-CG1 3.56Å; M427-V473 HydrophobicContact CG-CG2 4.12Å; M427-V473 HydrophobicContact SD-CG1 3.46Å; M427-V473 WeakPolarHBondContact SD-CG1 3.02Å; F430-V473 HydrophobicContact CD1-CG2 3.79Å; F430-V473 HydrophobicContact CE1-CG2 4.14Å; L431-V473 HydrophobicContact CD1-CG2 4.28Å; L431-V473 HydrophobicContact CD2-CG2 4.14Å; L431-V473 HydrophobicContact CG-CG2 4.1Å; G469-V473 PolarHBondContact O-N 3.22Å; G469-V473 VanDerWaalsContact O-N 3.16Å; A470-V473 WeakPolarHBondContact O-CB 3.3Å; A470-V473 PolarHBondContact O-N 3.37Å; Q471-V473 VanDerWaalsContact C-N 3.3Å; Q471-V473 PolarHBondContact O-N 3.3Å; V473-R477 WeakPolarHBondContact O-CB 3.32Å; V473-R477 PolarHBondContact O-N 3.45Å |
| 474 | L | 94.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 25% | 0.246 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.6 | -42.2 | 175.6 | -69.7 | 165.5 | 0 | 0 | 0 | 111.4 | E98 A101 A470 Q471 V472 G476 R477 A478 | E98-L474 HydrophobicContact CB-CB 4.32Å; E98-L474 WeakPolarHBondContact CB-O 3.41Å; E98-L474 HydrophobicContact CG-CB 4.46Å; E98-L474 HydrophobicContact CG-CD2 4.04Å; A101-L474 HydrophobicContact CB-CD1 3.79Å; A470-L474 WeakPolarHBondContact O-CG 3.4Å; A470-L474 PolarHBondContact O-N 3.08Å; A470-L474 VanDerWaalsContact O-N 3.09Å; Q471-L474 PolarHBondContact O-N 2.94Å; V472-L474 VanDerWaalsContact C-N 3.34Å; V472-L474 PolarHBondContact O-N 3.3Å; L474-G476 PolarHBondContact O-N 3.42Å; L474-R477 PolarHBondContact O-N 3.1Å; L474-A478 PolarHBondContact O-N 2.82Å |
| 475 | A | 95.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N102 Q471 V472 R477 A478 V479 F504 M507 | N102-A475 PolarHBondContact OD1-N 2.67Å; Q471-A475 PolarHBondContact O-N 2.94Å; V472-A475 PolarHBondContact O-N 3.37Å; A475-R477 PolarHBondContact O-N 3.41Å; A475-A478 WeakPolarHBondContact O-CB 3.34Å; A475-A478 PolarHBondContact O-N 3.27Å; A475-V479 PolarHBondContact O-N 2.94Å; A475-F504 HydrophobicContact CB-CB 4.28Å; A475-F504 HydrophobicContact CB-CD2 4.01Å; A475-M507 HydrophobicContact CB-CB 4.24Å; A475-M507 HydrophobicContact CB-CG 4.06Å |
| 476 | G | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y423 V472 L474 A478 V479 V480 | Y423-G476 VanDerWaalsContact OH-C 3.27Å; Y423-G476 VanDerWaalsContact OH-CA 3.31Å; Y423-G476 WeakPolarHBondContact OH-CA 3.28Å; V472-G476 PolarHBondContact O-N 3.09Å; L474-G476 PolarHBondContact O-N 3.42Å; G476-A478 VanDerWaalsContact C-N 3.33Å; G476-A478 PolarHBondContact O-N 2.99Å; G476-V479 WeakPolarHBondContact O-CB 3.5Å; G476-V479 PolarHBondContact O-N 3.36Å; G476-V479 VanDerWaalsContact O-N 3.1Å; G476-V480 PolarHBondContact O-N 3.48Å; G476-V480 VanDerWaalsContact O-N 3.08Å |
| 477 | R | 94.8 | Very high | 92 | Very high | 43 Ų | 43 | 27.2 Ų | 27.2 | 16% | 0.162 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 173.9 | -176.3 | 172.7 | -61.6 | -77.7 | -8.1 | 111.6 | E98 Y423 N424 M427 V473 L474 A475 V479 V480 L481 | E98-R477 HydrophobicContact CG-CB 4.14Å; E98-R477 HydrophobicContact CG-CG 4.11Å; E98-R477 VanDerWaalsContact OE1-CD 3.27Å; E98-R477 WeakPolarHBondContact OE1-CD 3.34Å; Y423-R477 HydrophobicContact CE1-CB 4.03Å; Y423-R477 PolarHBondContact OH-N 2.88Å; Y423-R477 VanDerWaalsContact OH-N 3.16Å; N424-R477 PolarHBondContact OD1-NH1 3.27Å; N424-R477 PolarHBondContact OD1-NH2 3.37Å; M427-R477 PolarHBondContact SD-NH2 3.3Å; V473-R477 WeakPolarHBondContact O-CB 3.32Å; V473-R477 PolarHBondContact O-N 3.45Å; L474-R477 PolarHBondContact O-N 3.1Å; A475-R477 PolarHBondContact O-N 3.41Å; R477-V479 VanDerWaalsContact C-N 3.29Å; R477-V479 PolarHBondContact O-N 3.29Å; R477-V480 PolarHBondContact O-N 2.69Å; R477-L481 HydrophobicContact CG-CD1 4.15Å; R477-L481 HydrophobicContact CG-CG 4.43Å; R477-L481 WeakPolarHBondContact O-CB 3.32Å; R477-L481 VanDerWaalsContact O-CG 3.31Å; R477-L481 WeakPolarHBondContact O-CG 3.5Å; R477-L481 PolarHBondContact O-N 3.11Å |
| 478 | A | 93 | Very high | 91.7 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -35.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E98 L474 A475 G476 S482 T500 | E98-A478 HydrophobicContact CB-CB 4.08Å; L474-A478 PolarHBondContact O-N 2.82Å; A475-A478 WeakPolarHBondContact O-CB 3.34Å; A475-A478 PolarHBondContact O-N 3.27Å; G476-A478 VanDerWaalsContact C-N 3.33Å; G476-A478 PolarHBondContact O-N 2.99Å; A478-S482 VanDerWaalsContact O-CB 3.28Å; A478-S482 WeakPolarHBondContact O-CB 3.17Å; A478-S482 PolarHBondContact O-N 2.89Å; A478-S482 PolarHBondContact O-OG 3.1Å; A478-S482 VanDerWaalsContact O-OG 3.11Å; A478-T500 HydrophobicContact CB-CG2 4.18Å |
| 479 | V | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -52.3 | 171.9 | -175.7 | 0 | 0 | 0 | 0 | 111 | A410 S411 A475 G476 R477 L481 S482 A483 T500 F504 | A410-V479 WeakPolarHBondContact O-CG1 3.46Å; S411-V479 WeakPolarHBondContact OG-CG1 3.3Å; A475-V479 PolarHBondContact O-N 2.94Å; G476-V479 WeakPolarHBondContact O-CB 3.5Å; G476-V479 PolarHBondContact O-N 3.36Å; G476-V479 VanDerWaalsContact O-N 3.1Å; R477-V479 VanDerWaalsContact C-N 3.29Å; R477-V479 PolarHBondContact O-N 3.29Å; V479-L481 VanDerWaalsContact C-N 3.32Å; V479-L481 PolarHBondContact O-N 2.94Å; V479-S482 WeakPolarHBondContact CA-OG 3.39Å; V479-S482 PolarHBondContact O-N 3.36Å; V479-S482 PolarHBondContact O-OG 3.45Å; V479-A483 PolarHBondContact O-N 3.21Å; V479-T500 WeakPolarHBondContact CG2-O 3.24Å; V479-F504 HydrophobicContact CG2-CB 3.73Å; V479-F504 HydrophobicContact CG2-CD1 3.86Å; V479-F504 HydrophobicContact CG2-CG 4.1Å |
| 480 | V | 93.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | 178 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | A410 P418 Q420 Y423 G476 R477 S482 A483 | A410-V480 HydrophobicContact CB-CG2 3.98Å; P418-V480 HydrophobicContact CB-CG1 4.37Å; P418-V480 HydrophobicContact CB-CG2 4.18Å; P418-V480 HydrophobicContact CG-CB 4.32Å; P418-V480 HydrophobicContact CG-CG1 4.07Å; P418-V480 HydrophobicContact CG-CG2 4.3Å; Q420-V480 HydrophobicContact CB-CG1 4.29Å; Q420-V480 HydrophobicContact CG-CG1 4.31Å; Y423-V480 HydrophobicContact CD1-CG2 4.19Å; Y423-V480 HydrophobicContact CD2-CG2 3.97Å; Y423-V480 HydrophobicContact CE2-CG2 4.42Å; Y423-V480 HydrophobicContact CG-CG2 3.86Å; G476-V480 PolarHBondContact O-N 3.48Å; G476-V480 VanDerWaalsContact O-N 3.08Å; R477-V480 PolarHBondContact O-N 2.69Å; V480-S482 VanDerWaalsContact C-N 3.32Å; V480-S482 PolarHBondContact O-N 2.73Å; V480-A483 VanDerWaalsContact O-CB 3.31Å; V480-A483 WeakPolarHBondContact O-CB 3.44Å; V480-A483 PolarHBondContact O-N 2.65Å |
| 481 | L | 91.1 | Very high | 89.9 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -31.1 | 178.5 | -71.4 | 175.3 | 0 | 0 | 0 | 113.4 | P94 E98 R477 V479 A483 | P94-L481 HydrophobicContact CB-CB 4.22Å; P94-L481 WeakPolarHBondContact CG-O 3.14Å; E98-L481 WeakPolarHBondContact OE1-CD1 3.25Å; R477-L481 HydrophobicContact CG-CD1 4.15Å; R477-L481 HydrophobicContact CG-CG 4.43Å; R477-L481 WeakPolarHBondContact O-CB 3.32Å; R477-L481 VanDerWaalsContact O-CG 3.31Å; R477-L481 WeakPolarHBondContact O-CG 3.5Å; R477-L481 PolarHBondContact O-N 3.11Å; V479-L481 VanDerWaalsContact C-N 3.32Å; V479-L481 PolarHBondContact O-N 2.94Å; L481-A483 VanDerWaalsContact C-N 3.3Å; L481-A483 PolarHBondContact O-N 2.91Å |
| 482 | S | 91 | Very high | 89.2 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.1 | 176.8 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | A478 V479 V480 T500 | A478-S482 VanDerWaalsContact O-CB 3.28Å; A478-S482 WeakPolarHBondContact O-CB 3.17Å; A478-S482 PolarHBondContact O-N 2.89Å; A478-S482 PolarHBondContact O-OG 3.1Å; A478-S482 VanDerWaalsContact O-OG 3.11Å; V479-S482 WeakPolarHBondContact CA-OG 3.39Å; V479-S482 PolarHBondContact O-N 3.36Å; V479-S482 PolarHBondContact O-OG 3.45Å; V480-S482 VanDerWaalsContact C-N 3.32Å; V480-S482 PolarHBondContact O-N 2.73Å; S482-T500 PolarHBondContact OG-OG1 3.21Å |
| 483 | A | 89.1 | Confident | 88.4 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -15.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L417 P418 V479 V480 L481 P485 | L417-A483 HydrophobicContact CD2-CB 4.29Å; L417-A483 VanDerWaalsContact CD2-O 3.27Å; L417-A483 WeakPolarHBondContact CD2-O 3.47Å; P418-A483 HydrophobicContact CG-CB 3.67Å; V479-A483 PolarHBondContact O-N 3.21Å; V480-A483 VanDerWaalsContact O-CB 3.31Å; V480-A483 WeakPolarHBondContact O-CB 3.44Å; V480-A483 PolarHBondContact O-N 2.65Å; L481-A483 VanDerWaalsContact C-N 3.3Å; L481-A483 PolarHBondContact O-N 2.91Å; A483-P485 WeakPolarHBondContact O-CD 3.39Å |
| 484 | D | 86.4 | Confident | 87.7 | Confident | 68 Ų | 68 | 48 Ų | 48 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | trans | -59 | 119.1 | 179.2 | 174.1 | 13.7 | 0 | 0 | 0 | 111.6 | N486 L487 | D484-N486 PolarHBondContact O-N 3.34Å; D484-N486 VanDerWaalsContact O-N 3.15Å; D484-N486 WeakPolarHBondContact OD1-CB 3.37Å; D484-N486 PolarHBondContact OD1-N 3.09Å; D484-N486 PolarHBondContact OD1-ND2 3.1Å; D484-L487 HydrophobicContact CB-CD1 4Å; D484-L487 HydrophobicContact CB-CG 4.02Å; D484-L487 WeakPolarHBondContact O-CB 3.49Å; D484-L487 PolarHBondContact O-N 3.02Å; D484-L487 VanDerWaalsContact O-N 3.13Å | ||
| 485 | P | 83.3 | Confident | 87.2 | Confident | 72 Ų | 72 | 49.3 Ų | 49.3 | 47% | 0.468 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -57.9 | -28.3 | 179.5 | -24.7 | 35.4 | 0 | 0 | 0 | 113.9 | L417 A483 L487 Q488 | L417-P485 HydrophobicContact CD2-CG 4.41Å; A483-P485 WeakPolarHBondContact O-CD 3.39Å; P485-L487 PolarHBondContact O-N 3.15Å; P485-Q488 WeakPolarHBondContact O-CB 3.38Å; P485-Q488 PolarHBondContact O-N 2.78Å |
| 486 | N | 85 | Confident | 87 | Confident | 105 Ų | 105 | 49.2 Ų | 49.2 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -65.8 | -23.1 | -179 | -60.5 | -76.4 | 0 | 0 | 0 | 112.6 | D484 Q488 L489 | D484-N486 PolarHBondContact O-N 3.34Å; D484-N486 VanDerWaalsContact O-N 3.15Å; D484-N486 WeakPolarHBondContact OD1-CB 3.37Å; D484-N486 PolarHBondContact OD1-N 3.09Å; D484-N486 PolarHBondContact OD1-ND2 3.1Å; N486-Q488 PolarHBondContact O-N 2.68Å; N486-L489 PolarHBondContact O-N 2.69Å |
| 487 | L | 86.1 | Confident | 86.7 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -65.3 | -24.6 | 176.4 | -62.5 | 173.4 | 0 | 0 | 0 | 112.6 | L93 P94 D484 P485 L489 Q490 G493 L496 | L93-L487 HydrophobicContact CD2-CD2 4.33Å; P94-L487 HydrophobicContact CG-CD1 3.75Å; P94-L487 HydrophobicContact CG-CD2 4.04Å; D484-L487 HydrophobicContact CB-CD1 4Å; D484-L487 HydrophobicContact CB-CG 4.02Å; D484-L487 WeakPolarHBondContact O-CB 3.49Å; D484-L487 PolarHBondContact O-N 3.02Å; D484-L487 VanDerWaalsContact O-N 3.13Å; P485-L487 PolarHBondContact O-N 3.15Å; L487-L489 PolarHBondContact O-N 3.39Å; L487-Q490 WeakPolarHBondContact O-CB 3.41Å; L487-Q490 PolarHBondContact O-N 3.03Å; L487-G493 WeakPolarHBondContact O-CA 3.31Å; L487-L496 HydrophobicContact CD1-CD2 4.37Å |
| 488 | Q | 81.6 | Confident | 86.5 | Confident | 131 Ų | 131 | 57.3 Ų | 57.3 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -63.1 | -24.6 | 179.5 | -62.5 | -175.5 | 11.5 | 0 | 0 | 113 | P485 N486 Q490 | P485-Q488 WeakPolarHBondContact O-CB 3.38Å; P485-Q488 PolarHBondContact O-N 2.78Å; N486-Q488 PolarHBondContact O-N 2.68Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å |
| 489 | L | 82.3 | Confident | 86.5 | Confident | 159 Ų | 159 | 58.2 Ų | 58.2 | 83% | 0.832 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -84.4 | -7.2 | 177.1 | -59.4 | 176.3 | 0 | 0 | 0 | 113 | N486 L487 | N486-L489 PolarHBondContact O-N 2.69Å; L487-L489 PolarHBondContact O-N 3.39Å |
| 490 | Q | 82.9 | Confident | 86.5 | Confident | 80 Ų | 80 | 58.4 Ų | 58.4 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -93.9 | 148.8 | -178.3 | -57.6 | -173.6 | 17 | 0 | 0 | 111.6 | L93 L487 Q488 G492 G493 | L93-Q490 HydrophobicContact CD2-CB 4.01Å; L487-Q490 WeakPolarHBondContact O-CB 3.41Å; L487-Q490 PolarHBondContact O-N 3.03Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q490-G492 PolarHBondContact O-N 2.9Å; Q490-G493 PolarHBondContact O-N 3.28Å |
| 491 | P | 79.6 | Confident | 86.6 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 63% | 0.63 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 131.2 | 173.3 | -26.7 | 35.8 | 0 | 0 | 0 | 111.9 | N91 G493 | N91-P491 VanDerWaalsContact CB-O 3.26Å; N91-P491 WeakPolarHBondContact CB-O 3.48Å; P491-G493 PolarHBondContact O-N 3.45Å |
| 492 | G | 78.6 | Confident | 86.7 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | -9.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N87 Q490 | N87-G492 PolarHBondContact ND2-O 2.84Å; Q490-G492 PolarHBondContact O-N 2.9Å |
| 493 | G | 81.1 | Confident | 87 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -78 | -29.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L487 Q490 P491 S495 L496 | L487-G493 WeakPolarHBondContact O-CA 3.31Å; Q490-G493 PolarHBondContact O-N 3.28Å; P491-G493 PolarHBondContact O-N 3.45Å; G493-S495 PolarHBondContact O-N 3.36Å; G493-L496 WeakPolarHBondContact O-CB 3.41Å; G493-L496 PolarHBondContact O-N 2.82Å |
| 494 | A | 80.9 | Confident | 87.3 | Confident | 85 Ų | 85 | 59 Ų | 59 | 70% | 0.702 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -56.6 | -25.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 495 | S | 86 | Confident | 87.8 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -113.1 | 3.8 | 174 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | G493 Q498 A499 | G493-S495 PolarHBondContact O-N 3.36Å; S495-Q498 PolarHBondContact O-N 2.94Å; S495-A499 WeakPolarHBondContact O-CB 3.47Å; S495-A499 PolarHBondContact O-N 3.42Å |
| 496 | L | 90.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -49.7 | -172.8 | -177.1 | 71.2 | 0 | 0 | 0 | 111.6 | L84 T88 L93 L487 G493 Q498 A499 T500 | L84-L496 HydrophobicContact CD1-CD1 4.47Å; T88-L496 HydrophobicContact CG2-CD1 3.68Å; L93-L496 HydrophobicContact CB-CD2 4.01Å; L93-L496 HydrophobicContact CD1-CD1 4.39Å; L93-L496 HydrophobicContact CD1-CD2 4.19Å; L487-L496 HydrophobicContact CD1-CD2 4.37Å; G493-L496 WeakPolarHBondContact O-CB 3.41Å; G493-L496 PolarHBondContact O-N 2.82Å; L496-Q498 PolarHBondContact O-N 3.47Å; L496-A499 PolarHBondContact O-N 3.28Å; L496-A499 VanDerWaalsContact O-N 3.08Å; L496-T500 HydrophobicContact CD1-CG2 4.22Å; L496-T500 HydrophobicContact CG-CG2 4.25Å; L496-T500 PolarHBondContact O-N 3.15Å; L496-T500 PolarHBondContact O-OG1 3.1Å; L496-T500 VanDerWaalsContact O-OG1 3.1Å |
| 497 | K | 89.1 | Confident | 88.9 | Confident | 96 Ų | 96 | 53 Ų | 53 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -33.3 | -179.6 | -171.2 | 179.7 | -179.8 | 177.9 | 0 | 113.2 | T500 S501 | K497-T500 WeakPolarHBondContact CA-OG1 3.38Å; K497-T500 PolarHBondContact O-OG1 3.27Å; K497-T500 VanDerWaalsContact O-OG1 3.08Å; K497-S501 VanDerWaalsContact O-CB 3.31Å; K497-S501 WeakPolarHBondContact O-CB 3.13Å; K497-S501 PolarHBondContact O-N 3.49Å |
| 498 | Q | 91 | Very high | 89.4 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.2 | -48.1 | 174.1 | -169.7 | 62.5 | 48.5 | 0 | 0 | 110.5 | S495 L496 T500 S501 D502 | S495-Q498 PolarHBondContact O-N 2.94Å; L496-Q498 PolarHBondContact O-N 3.47Å; Q498-T500 VanDerWaalsContact C-N 3.34Å; Q498-T500 PolarHBondContact O-N 3.44Å; Q498-S501 PolarHBondContact O-N 3.47Å; Q498-S501 VanDerWaalsContact O-N 3.15Å; Q498-D502 PolarHBondContact NE2-OD1 2.8Å; Q498-D502 WeakPolarHBondContact O-CB 3.36Å; Q498-D502 PolarHBondContact O-N 3.12Å |
| 499 | A | 93 | Very high | 90.1 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 17% | 0.174 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -35.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L84 S495 L496 H503 | L84-A499 HydrophobicContact CD1-CB 3.82Å; S495-A499 WeakPolarHBondContact O-CB 3.47Å; S495-A499 PolarHBondContact O-N 3.42Å; L496-A499 PolarHBondContact O-N 3.28Å; L496-A499 VanDerWaalsContact O-N 3.08Å; A499-H503 WeakPolarHBondContact O-CB 3.4Å; A499-H503 PolarHBondContact O-N 3.19Å; A499-H503 VanDerWaalsContact O-N 3.09Å |
| 500 | T | 94.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 172.3 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | L84 A478 V479 S482 L496 K497 Q498 H503 F504 | L84-T500 HydrophobicContact CD1-CG2 3.81Å; L84-T500 HydrophobicContact CD2-CG2 4.25Å; L84-T500 HydrophobicContact CG-CG2 4.43Å; A478-T500 HydrophobicContact CB-CG2 4.18Å; V479-T500 WeakPolarHBondContact CG2-O 3.24Å; S482-T500 PolarHBondContact OG-OG1 3.21Å; L496-T500 HydrophobicContact CD1-CG2 4.22Å; L496-T500 HydrophobicContact CG-CG2 4.25Å; L496-T500 PolarHBondContact O-N 3.15Å; L496-T500 PolarHBondContact O-OG1 3.1Å; L496-T500 VanDerWaalsContact O-OG1 3.1Å; K497-T500 WeakPolarHBondContact CA-OG1 3.38Å; K497-T500 PolarHBondContact O-OG1 3.27Å; K497-T500 VanDerWaalsContact O-OG1 3.08Å; Q498-T500 VanDerWaalsContact C-N 3.34Å; Q498-T500 PolarHBondContact O-N 3.44Å; T500-H503 PolarHBondContact O-N 2.83Å; T500-F504 WeakPolarHBondContact O-CB 3.5Å; T500-F504 PolarHBondContact O-N 3.18Å |
| 501 | S | 93.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 43 Ų | 43 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 179.2 | -169.4 | 0 | 0 | 0 | 0 | 112.1 | K497 Q498 H503 F504 L505 | K497-S501 VanDerWaalsContact O-CB 3.31Å; K497-S501 WeakPolarHBondContact O-CB 3.13Å; K497-S501 PolarHBondContact O-N 3.49Å; Q498-S501 PolarHBondContact O-N 3.47Å; Q498-S501 VanDerWaalsContact O-N 3.15Å; S501-H503 VanDerWaalsContact C-N 3.34Å; S501-H503 PolarHBondContact O-N 2.71Å; S501-F504 PolarHBondContact O-N 2.99Å; S501-L505 WeakPolarHBondContact O-CG 3.47Å; S501-L505 PolarHBondContact O-N 2.7Å |
| 502 | D | 95.1 | Very high | 92 | Very high | 69 Ų | 69 | 38.9 Ų | 38.9 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 173.2 | -65 | -20.3 | 0 | 0 | 0 | 110.9 | Q498 L505 M506 | Q498-D502 PolarHBondContact NE2-OD1 2.8Å; Q498-D502 WeakPolarHBondContact O-CB 3.36Å; Q498-D502 PolarHBondContact O-N 3.12Å; D502-L505 WeakPolarHBondContact O-CB 3.4Å; D502-L505 PolarHBondContact O-N 3.41Å; D502-M506 VanDerWaalsContact O-CG 3.31Å; D502-M506 WeakPolarHBondContact O-CG 3.46Å; D502-M506 PolarHBondContact O-N 3.02Å; D502-M506 VanDerWaalsContact O-N 3.09Å |
| 503 | H | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 178.6 | -171.3 | 48.3 | 0 | 0 | 0 | 112.4 | S80 L84 A499 T500 S501 L505 M506 M507 | S80-H503 PolarHBondContact OG-ND1 3.26Å; L84-H503 HydrophobicContact CD2-CB 4.22Å; A499-H503 WeakPolarHBondContact O-CB 3.4Å; A499-H503 PolarHBondContact O-N 3.19Å; A499-H503 VanDerWaalsContact O-N 3.09Å; T500-H503 PolarHBondContact O-N 2.83Å; S501-H503 VanDerWaalsContact C-N 3.34Å; S501-H503 PolarHBondContact O-N 2.71Å; H503-L505 PolarHBondContact O-N 3.09Å; H503-M506 WeakPolarHBondContact O-CB 3.42Å; H503-M506 PolarHBondContact O-N 2.74Å; H503-M507 WeakPolarHBondContact O-CG 3.44Å; H503-M507 PolarHBondContact O-N 3.02Å |
| 504 | F | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -36.8 | 175.7 | -178.4 | -141.8 | 0 | 0 | 0 | 112 | L406 F407 A410 V472 A475 V479 T500 S501 M507 R508 | L406-F504 HydrophobicContact CG-CZ 4.49Å; F407-F504 HydrophobicContact CB-CE1 4.29Å; F407-F504 HydrophobicContact CB-CZ 4.46Å; F407-F504 AromaticContact CD2-CD1 3.55Å; F407-F504 HydrophobicContact CD2-CD1 3.55Å; F407-F504 AromaticContact CD2-CE1 3.24Å; F407-F504 HydrophobicContact CD2-CE1 3.24Å; F407-F504 HydrophobicContact CD2-CG 4.36Å; F407-F504 AromaticContact CD2-CZ 3.83Å; F407-F504 HydrophobicContact CD2-CZ 3.83Å; F407-F504 AromaticContact CE2-CD1 3.46Å; F407-F504 HydrophobicContact CE2-CD1 3.46Å; F407-F504 VanDerWaalsContact CE2-CD1 3.46Å; F407-F504 AromaticContact CE2-CE1 3.69Å; F407-F504 HydrophobicContact CE2-CE1 3.69Å; F407-F504 HydrophobicContact CE2-CG 4.21Å; F407-F504 AromaticContact CG-CE1 3.98Å; F407-F504 HydrophobicContact CG-CE1 3.98Å; F407-F504 HydrophobicContact CZ-CD1 4.44Å; A410-F504 HydrophobicContact CB-CE1 3.81Å; A410-F504 HydrophobicContact CB-CZ 4.45Å; V472-F504 HydrophobicContact CG1-CD2 4.41Å; V472-F504 HydrophobicContact CG1-CE2 3.81Å; V472-F504 WeakPolarHBondContact O-CE2 3.45Å; A475-F504 HydrophobicContact CB-CB 4.28Å; A475-F504 HydrophobicContact CB-CD2 4.01Å; V479-F504 HydrophobicContact CG2-CB 3.73Å; V479-F504 HydrophobicContact CG2-CD1 3.86Å; V479-F504 HydrophobicContact CG2-CG 4.1Å; T500-F504 WeakPolarHBondContact O-CB 3.5Å; T500-F504 PolarHBondContact O-N 3.18Å; S501-F504 PolarHBondContact O-N 2.99Å; F504-M507 PolarHBondContact O-N 3.01Å; F504-R508 WeakPolarHBondContact O-CB 3.4Å; F504-R508 PolarHBondContact O-N 3.01Å |
| 505 | L | 96.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61 | -43.2 | 170.3 | -75.4 | 168.9 | 0 | 0 | 0 | 112.2 | F407 S501 D502 H503 R508 Q509 | F407-L505 HydrophobicContact CE1-CD2 4.39Å; F407-L505 HydrophobicContact CE2-CD2 3.56Å; F407-L505 HydrophobicContact CE2-CG 3.94Å; F407-L505 HydrophobicContact CZ-CD2 3.44Å; F407-L505 VanDerWaalsContact CZ-CD2 3.44Å; F407-L505 HydrophobicContact CZ-CG 3.88Å; S501-L505 WeakPolarHBondContact O-CG 3.47Å; S501-L505 PolarHBondContact O-N 2.7Å; D502-L505 WeakPolarHBondContact O-CB 3.4Å; D502-L505 PolarHBondContact O-N 3.41Å; H503-L505 PolarHBondContact O-N 3.09Å; L505-R508 VanDerWaalsContact CD2-CZ 3.44Å; L505-R508 PolarHBondContact O-N 3.17Å; L505-Q509 PolarHBondContact O-N 3.18Å |
| 506 | M | 96.2 | Very high | 94.3 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 27% | 0.271 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 176.1 | -64.2 | 171.4 | 87.9 | 0 | 0 | 111.8 | P76 I77 D502 H503 Q509 H510 | P76-M506 VanDerWaalsContact C-CE 3.5Å; P76-M506 HydrophobicContact CB-CE 3.83Å; P76-M506 HydrophobicContact CG-CE 4.41Å; P76-M506 WeakPolarHBondContact O-CE 3.41Å; I77-M506 HydrophobicContact CB-CE 4.49Å; I77-M506 HydrophobicContact CG1-CB 4.48Å; I77-M506 HydrophobicContact CG1-CE 4.17Å; I77-M506 HydrophobicContact CG2-CB 4.43Å; D502-M506 VanDerWaalsContact O-CG 3.31Å; D502-M506 WeakPolarHBondContact O-CG 3.46Å; D502-M506 PolarHBondContact O-N 3.02Å; D502-M506 VanDerWaalsContact O-N 3.09Å; H503-M506 WeakPolarHBondContact O-CB 3.42Å; H503-M506 PolarHBondContact O-N 2.74Å; M506-Q509 PolarHBondContact O-N 3.26Å; M506-H510 WeakPolarHBondContact O-CB 3.49Å; M506-H510 PolarHBondContact O-N 3.04Å |
| 507 | M | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 177 | -70.2 | -62 | -67.5 | 0 | 0 | 112.1 | I77 L106 L468 Q471 V472 A475 H503 F504 H510 W511 | I77-M507 HydrophobicContact CG2-CG 4.48Å; I77-M507 HydrophobicContact CG2-SD 3.63Å; L106-M507 HydrophobicContact CD1-SD 4.26Å; L106-M507 HydrophobicContact CD2-SD 4.32Å; L468-M507 HydrophobicContact CD1-CE 3.79Å; Q471-M507 HydrophobicContact CB-CE 3.57Å; V472-M507 HydrophobicContact CG2-CB 4.21Å; V472-M507 WeakPolarHBondContact CG2-O 3.4Å; A475-M507 HydrophobicContact CB-CB 4.24Å; A475-M507 HydrophobicContact CB-CG 4.06Å; H503-M507 WeakPolarHBondContact O-CG 3.44Å; H503-M507 PolarHBondContact O-N 3.02Å; F504-M507 PolarHBondContact O-N 3.01Å; M507-H510 WeakPolarHBondContact O-CB 3.29Å; M507-H510 PolarHBondContact O-N 3.31Å; M507-W511 PolarHBondContact O-N 3.02Å |
| 508 | R | 95.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 28% | 0.275 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 173.7 | -172.1 | -171.4 | 76 | -173.4 | 5.2 | 111.3 | L403 F504 L505 T512 | L403-R508 HydrophobicContact CD1-CG 4.16Å; L403-R508 HydrophobicContact CD2-CG 3.82Å; L403-R508 HydrophobicContact CG-CG 3.93Å; F504-R508 WeakPolarHBondContact O-CB 3.4Å; F504-R508 PolarHBondContact O-N 3.01Å; L505-R508 VanDerWaalsContact CD2-CZ 3.44Å; L505-R508 PolarHBondContact O-N 3.17Å; R508-T512 PolarHBondContact O-N 3.33Å; R508-T512 PolarHBondContact O-OG1 3.08Å |
| 509 | Q | 95.5 | Very high | 94.4 | Very high | 93 Ų | 93 | 31.8 Ų | 31.8 | 44% | 0.435 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.4 | -45 | 176.4 | -168.2 | 61.4 | 41.8 | 0 | 0 | 111.1 | L505 M506 W511 T512 D513 | L505-Q509 PolarHBondContact O-N 3.18Å; M506-Q509 PolarHBondContact O-N 3.26Å; Q509-W511 VanDerWaalsContact C-N 3.29Å; Q509-W511 PolarHBondContact O-N 3.44Å; Q509-T512 PolarHBondContact O-N 2.86Å; Q509-D513 PolarHBondContact NE2-OD1 2.98Å; Q509-D513 PolarHBondContact O-N 3.07Å |
| 510 | H | 94.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.4 | -40.9 | -179.6 | -169.1 | -121.2 | 0 | 0 | 0 | 113.4 | R73 L74 I77 E109 L468 M506 M507 T514 | R73-H510 VanDerWaalsContact CZ-NE2 3.25Å; R73-H510 PolarHBondContact NH1-CD2 3.48Å; R73-H510 PolarHBondContact NH1-O 3.02Å; R73-H510 PolarHBondContact NH2-CD2 2.96Å; R73-H510 PolarHBondContact NH2-NE2 3.15Å; L74-H510 WeakPolarHBondContact CD2-NE2 3.2Å; I77-H510 HydrophobicContact CD1-CB 3.91Å; E109-H510 IonicContact OE1-CE1 2.75Å; E109-H510 PolarHBondContact OE1-CE1 3.09Å; E109-H510 IonicContact OE2-CE1 2.99Å; E109-H510 PolarHBondContact OE2-CE1 3.12Å; L468-H510 VanDerWaalsContact CD1-ND1 3.27Å; L468-H510 WeakPolarHBondContact CD1-ND1 3.37Å; L468-H510 WeakPolarHBondContact CD2-ND1 3.44Å; M506-H510 WeakPolarHBondContact O-CB 3.49Å; M506-H510 PolarHBondContact O-N 3.04Å; M507-H510 WeakPolarHBondContact O-CB 3.29Å; M507-H510 PolarHBondContact O-N 3.31Å; H510-T514 WeakPolarHBondContact O-CB 3.43Å; H510-T514 PolarHBondContact O-OG1 2.91Å |
| 511 | W | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.9 | -46.8 | 172.3 | -175.1 | 97.2 | 0 | 0 | 0 | 111.9 | L399 L403 F430 L437 L465 L468 V472 M507 Q509 D513 T514 A515 | L399-W511 HydrophobicContact CG-CZ3 4.4Å; L403-W511 HydrophobicContact CD2-CD2 4.04Å; L403-W511 HydrophobicContact CD2-CE3 3.34Å; L403-W511 HydrophobicContact CD2-CZ3 3.76Å; F430-W511 HydrophobicContact CE2-CD2 4.07Å; F430-W511 AromaticContact CE2-CE2 3.65Å; F430-W511 HydrophobicContact CE2-CE3 4.31Å; F430-W511 AromaticContact CE2-CH2 3.84Å; F430-W511 HydrophobicContact CE2-CH2 3.84Å; F430-W511 AromaticContact CE2-CZ2 3.55Å; F430-W511 HydrophobicContact CE2-CZ2 3.55Å; F430-W511 HydrophobicContact CE2-CZ3 4.21Å; F430-W511 AromaticContact CZ-CD2 3.94Å; F430-W511 HydrophobicContact CZ-CD2 3.94Å; F430-W511 AromaticContact CZ-CE2 3.61Å; F430-W511 HydrophobicContact CZ-CG 4.23Å; F430-W511 AromaticContact CZ-CZ2 3.99Å; F430-W511 HydrophobicContact CZ-CZ2 3.99Å; F430-W511 AromaticContact CZ-NE1 3.66Å; L437-W511 HydrophobicContact CD1-CH2 3.91Å; L437-W511 HydrophobicContact CD1-CZ2 3.94Å; L465-W511 HydrophobicContact CD1-CD2 4.23Å; L465-W511 HydrophobicContact CD1-CG 4.25Å; L465-W511 HydrophobicContact CD1-CZ2 4.25Å; L465-W511 HydrophobicContact CD2-CZ2 4.4Å; L465-W511 HydrophobicContact CG-CZ2 4.49Å; L468-W511 HydrophobicContact CD2-CB 4.2Å; L468-W511 HydrophobicContact CG-CB 4.15Å; V472-W511 HydrophobicContact CG2-CB 3.75Å; V472-W511 HydrophobicContact CG2-CG 4.28Å; M507-W511 PolarHBondContact O-N 3.02Å; Q509-W511 VanDerWaalsContact C-N 3.29Å; Q509-W511 PolarHBondContact O-N 3.44Å; W511-D513 PolarHBondContact O-N 2.73Å; W511-T514 WeakPolarHBondContact O-CB 3.48Å; W511-T514 PolarHBondContact O-N 2.95Å; W511-A515 HydrophobicContact CD2-CB 4.32Å; W511-A515 HydrophobicContact CE3-CB 4Å; W511-A515 HydrophobicContact CH2-CB 3.96Å; W511-A515 HydrophobicContact CZ2-CB 4.26Å; W511-A515 HydrophobicContact CZ3-CB 3.81Å; W511-A515 WeakPolarHBondContact O-CB 3.42Å; W511-A515 PolarHBondContact O-N 3.44Å |
| 512 | T | 95.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.7 | -50.3 | -179.9 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | V400 R508 Q509 T514 A515 E516 | V400-T512 HydrophobicContact CG2-CG2 4.27Å; R508-T512 PolarHBondContact O-N 3.33Å; R508-T512 PolarHBondContact O-OG1 3.08Å; Q509-T512 PolarHBondContact O-N 2.86Å; T512-T514 PolarHBondContact O-N 3.28Å; T512-T514 VanDerWaalsContact O-N 3.13Å; T512-A515 PolarHBondContact O-N 3.27Å; T512-E516 HydrophobicContact CG2-CG 4.25Å; T512-E516 WeakPolarHBondContact O-CB 3.13Å; T512-E516 WeakPolarHBondContact O-CG 3.21Å; T512-E516 PolarHBondContact O-N 3.41Å |
| 513 | D | 92.9 | Very high | 93.2 | Very high | 45 Ų | 45 | 31.2 Ų | 31.2 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.6 | -35.4 | 176.2 | -53.9 | -22.7 | 0 | 0 | 0 | 112.4 | R73 Q509 W511 R517 | R73-D513 IonicContact CZ-OD2 3.6Å; R73-D513 VanDerWaalsContact NH1-CB 3.26Å; R73-D513 IonicContact NH1-OD2 3.63Å; R73-D513 PolarHBondContact NH1-OD2 3Å; Q509-D513 PolarHBondContact NE2-OD1 2.98Å; Q509-D513 PolarHBondContact O-N 3.07Å; W511-D513 PolarHBondContact O-N 2.73Å; D513-R517 WeakPolarHBondContact O-CB 3.39Å; D513-R517 VanDerWaalsContact O-CG 3.26Å; D513-R517 WeakPolarHBondContact O-CG 3.13Å; D513-R517 PolarHBondContact O-N 3.13Å; D513-R517 PolarHBondContact O-NE 2.95Å |
| 514 | T | 92 | Very high | 92.4 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79.2 | -42 | -175 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | R73 L461 L465 L468 H510 W511 T512 E516 R517 M518 | R73-T514 PolarHBondContact NH2-OG1 3.46Å; L461-T514 HydrophobicContact CD2-CG2 3.76Å; L465-T514 HydrophobicContact CD1-CG2 4.25Å; L468-T514 HydrophobicContact CD2-CG2 4.47Å; H510-T514 WeakPolarHBondContact O-CB 3.43Å; H510-T514 PolarHBondContact O-OG1 2.91Å; W511-T514 WeakPolarHBondContact O-CB 3.48Å; W511-T514 PolarHBondContact O-N 2.95Å; T512-T514 PolarHBondContact O-N 3.28Å; T512-T514 VanDerWaalsContact O-N 3.13Å; T514-E516 VanDerWaalsContact C-N 3.34Å; T514-R517 PolarHBondContact OG1-NH2 3.27Å; T514-M518 VanDerWaalsContact O-CB 3.29Å; T514-M518 WeakPolarHBondContact O-CB 3.48Å; T514-M518 PolarHBondContact O-N 3.36Å |
| 515 | A | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.7 | -30.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L399 L465 W511 T512 R519 | L399-A515 HydrophobicContact CD1-CB 3.95Å; L399-A515 HydrophobicContact CD2-CB 3.75Å; L399-A515 HydrophobicContact CG-CB 3.98Å; L465-A515 HydrophobicContact CD1-CB 3.97Å; W511-A515 HydrophobicContact CD2-CB 4.32Å; W511-A515 HydrophobicContact CE3-CB 4Å; W511-A515 HydrophobicContact CH2-CB 3.96Å; W511-A515 HydrophobicContact CZ2-CB 4.26Å; W511-A515 HydrophobicContact CZ3-CB 3.81Å; W511-A515 WeakPolarHBondContact O-CB 3.42Å; W511-A515 PolarHBondContact O-N 3.44Å; T512-A515 PolarHBondContact O-N 3.27Å; A515-R519 VanDerWaalsContact O-CB 3.32Å; A515-R519 WeakPolarHBondContact O-CB 3.41Å; A515-R519 PolarHBondContact O-N 3.3Å |
| 516 | E | 93.6 | Very high | 91 | Very high | 100 Ų | 100 | 31.8 Ų | 31.8 | 47% | 0.467 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -76.3 | -40 | 175.2 | -74.8 | -173.6 | 169.5 | 0 | 0 | 112.7 | L399 T512 T514 M518 R519 A520 | L399-E516 HydrophobicContact CD2-CB 4.41Å; L399-E516 HydrophobicContact CD2-CG 3.44Å; L399-E516 VanDerWaalsContact CD2-CG 3.44Å; T512-E516 HydrophobicContact CG2-CG 4.25Å; T512-E516 WeakPolarHBondContact O-CB 3.13Å; T512-E516 WeakPolarHBondContact O-CG 3.21Å; T512-E516 PolarHBondContact O-N 3.41Å; T514-E516 VanDerWaalsContact C-N 3.34Å; E516-M518 VanDerWaalsContact C-N 3.32Å; E516-M518 PolarHBondContact O-N 3Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.32Å; E516-A520 WeakPolarHBondContact O-CB 3.43Å; E516-A520 PolarHBondContact O-N 2.86Å |
| 517 | R | 89.5 | Confident | 90.4 | Very high | 78 Ų | 78 | 32.3 Ų | 32.3 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 169.7 | -74.1 | 178.3 | -60.2 | 151 | 5.1 | 111.7 | R73 L461 D513 T514 A520 L521 | R73-R517 VanDerWaalsContact NH2-NH2 3.16Å; L461-R517 HydrophobicContact CD1-CB 4.22Å; D513-R517 WeakPolarHBondContact O-CB 3.39Å; D513-R517 VanDerWaalsContact O-CG 3.26Å; D513-R517 WeakPolarHBondContact O-CG 3.13Å; D513-R517 PolarHBondContact O-N 3.13Å; D513-R517 PolarHBondContact O-NE 2.95Å; T514-R517 PolarHBondContact OG1-NH2 3.27Å; R517-A520 PolarHBondContact O-N 3.28Å; R517-L521 PolarHBondContact O-N 3.19Å |
| 518 | M | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 175.7 | -173.3 | 178.1 | -173.1 | 0 | 0 | 111.5 | Y396 L437 L458 L461 T462 L465 T514 E516 A520 L521 V522 | Y396-M518 WeakPolarHBondContact OH-CE 3.46Å; L437-M518 WeakPolarHBondContact O-CE 3.41Å; L458-M518 HydrophobicContact CD1-CE 4.2Å; L458-M518 HydrophobicContact CD1-CG 3.63Å; L461-M518 HydrophobicContact CB-CB 4.3Å; L461-M518 HydrophobicContact CB-CG 4.38Å; L461-M518 HydrophobicContact CD1-CB 4.28Å; T462-M518 HydrophobicContact CG2-CE 3.39Å; L465-M518 HydrophobicContact CD2-SD 3.7Å; T514-M518 VanDerWaalsContact O-CB 3.29Å; T514-M518 WeakPolarHBondContact O-CB 3.48Å; T514-M518 PolarHBondContact O-N 3.36Å; E516-M518 VanDerWaalsContact C-N 3.32Å; E516-M518 PolarHBondContact O-N 3Å; M518-A520 VanDerWaalsContact C-N 3.3Å; M518-A520 PolarHBondContact O-N 3.44Å; M518-L521 PolarHBondContact O-N 3.14Å; M518-V522 WeakPolarHBondContact O-CB 3.45Å; M518-V522 WeakPolarHBondContact O-CG2 3.38Å; M518-V522 PolarHBondContact O-N 3.38Å |
| 519 | R | 92.5 | Very high | 89.7 | Confident | 30 Ų | 30 | 31 Ų | 31 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53 | -44.9 | 171 | 173.2 | -171.7 | -64 | -98.8 | -29.4 | 112.4 | Y396 L399 A515 E516 L521 V522 D523 | Y396-R519 HydrophobicContact CD1-CB 3.69Å; Y396-R519 HydrophobicContact CD1-CG 4Å; Y396-R519 HydrophobicContact CE1-CB 3.95Å; Y396-R519 PolarHBondContact O-NH1 3.36Å; Y396-R519 PolarHBondContact O-NH2 3.03Å; L399-R519 VanDerWaalsContact CB-NH2 3.29Å; A515-R519 VanDerWaalsContact O-CB 3.32Å; A515-R519 WeakPolarHBondContact O-CB 3.41Å; A515-R519 PolarHBondContact O-N 3.3Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.32Å; R519-L521 PolarHBondContact O-N 2.96Å; R519-V522 PolarHBondContact O-N 3.42Å; R519-D523 WeakPolarHBondContact CG-OD2 3.36Å; R519-D523 VanDerWaalsContact O-CB 3.29Å; R519-D523 WeakPolarHBondContact O-CB 3.37Å; R519-D523 PolarHBondContact O-N 2.98Å |
| 520 | A | 88.2 | Confident | 89.4 | Confident | 53 Ų | 53 | 28.1 Ų | 28.1 | 44% | 0.438 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64 | -40.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | E516 R517 M518 E524 | E516-A520 WeakPolarHBondContact O-CB 3.43Å; E516-A520 PolarHBondContact O-N 2.86Å; R517-A520 PolarHBondContact O-N 3.28Å; M518-A520 VanDerWaalsContact C-N 3.3Å; M518-A520 PolarHBondContact O-N 3.44Å; A520-E524 PolarHBondContact O-N 2.97Å; A520-E524 VanDerWaalsContact O-N 3.14Å |
| 521 | L | 85.9 | Confident | 89.3 | Confident | 25 Ų | 25 | 28.4 Ų | 28.4 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 173.3 | -66.3 | 174.5 | 0 | 0 | 0 | 111.6 | A457 L458 L461 R517 M518 R519 D523 E524 A525 | A457-L521 HydrophobicContact CB-CD1 4.33Å; L458-L521 HydrophobicContact CB-CD1 4.22Å; L461-L521 HydrophobicContact CD1-CD1 3.82Å; R517-L521 PolarHBondContact O-N 3.19Å; M518-L521 PolarHBondContact O-N 3.14Å; R519-L521 PolarHBondContact O-N 2.96Å; L521-D523 VanDerWaalsContact C-N 3.34Å; L521-D523 PolarHBondContact O-N 3.41Å; L521-E524 PolarHBondContact O-N 3.25Å; L521-A525 PolarHBondContact O-N 3.48Å |
| 522 | V | 89.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 179.1 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | I392 Y396 A444 L458 M518 R519 E524 A525 | I392-V522 HydrophobicContact CB-CG1 4.12Å; I392-V522 HydrophobicContact CD1-CG1 3.47Å; I392-V522 VanDerWaalsContact CD1-CG1 3.47Å; I392-V522 HydrophobicContact CG1-CG1 3.44Å; I392-V522 VanDerWaalsContact CG1-CG1 3.44Å; I392-V522 HydrophobicContact CG2-CG1 3.62Å; Y396-V522 HydrophobicContact CD2-CG1 4.36Å; Y396-V522 HydrophobicContact CE2-CG1 4.08Å; A444-V522 HydrophobicContact CB-CG1 4.46Å; A444-V522 HydrophobicContact CB-CG2 4.21Å; L458-V522 HydrophobicContact CD1-CG2 3.79Å; L458-V522 HydrophobicContact CD2-CG2 3.68Å; L458-V522 HydrophobicContact CG-CG2 4.42Å; M518-V522 WeakPolarHBondContact O-CB 3.45Å; M518-V522 WeakPolarHBondContact O-CG2 3.38Å; M518-V522 PolarHBondContact O-N 3.38Å; R519-V522 PolarHBondContact O-N 3.42Å; V522-E524 VanDerWaalsContact C-N 3.28Å; V522-E524 PolarHBondContact O-N 3.13Å; V522-A525 PolarHBondContact O-N 3.31Å |
| 523 | D | 87 | Confident | 89 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -2.9 | 173.3 | -70.9 | -13.5 | 0 | 0 | 0 | 113.2 | I392 R519 L521 R571 R578 | I392-D523 WeakPolarHBondContact CG2-OD1 3.36Å; R519-D523 WeakPolarHBondContact CG-OD2 3.36Å; R519-D523 VanDerWaalsContact O-CB 3.29Å; R519-D523 WeakPolarHBondContact O-CB 3.37Å; R519-D523 PolarHBondContact O-N 2.98Å; L521-D523 VanDerWaalsContact C-N 3.34Å; L521-D523 PolarHBondContact O-N 3.41Å; D523-R571 IonicContact OD1-CZ 3.75Å; D523-R571 IonicContact OD1-NH2 2.78Å; D523-R571 PolarHBondContact OD1-NH2 2.68Å; D523-R571 IonicContact OD2-CZ 2.76Å; D523-R571 IonicContact OD2-NH2 3.68Å; D523-R571 PolarHBondContact OD2-NH2 3.22Å; D523-R578 PolarHBondContact O-NH1 2.9Å; D523-R578 PolarHBondContact O-NH2 2.9Å |
| 524 | E | 80.2 | Confident | 89 | Confident | 59 Ų | 59 | 28 Ų | 28 | 28% | 0.276 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -26.3 | 167.9 | -168.2 | 175.8 | -147.5 | 0 | 0 | 111.7 | R454 A520 L521 V522 V526 | R454-E524 IonicContact CZ-OE1 3.36Å; R454-E524 IonicContact CZ-OE2 3.49Å; R454-E524 VanDerWaalsContact CZ-OE2 3.3Å; R454-E524 IonicContact NE-OE1 3.37Å; R454-E524 IonicContact NE-OE2 3.23Å; R454-E524 PolarHBondContact NE-OE2 2.77Å; R454-E524 IonicContact NH2-OE1 2.73Å; R454-E524 PolarHBondContact NH2-OE1 3.19Å; R454-E524 IonicContact NH2-OE2 3.39Å; R454-E524 PolarHBondContact NH2-OE2 2.86Å; A520-E524 PolarHBondContact O-N 2.97Å; A520-E524 VanDerWaalsContact O-N 3.14Å; L521-E524 PolarHBondContact O-N 3.25Å; V522-E524 VanDerWaalsContact C-N 3.28Å; V522-E524 PolarHBondContact O-N 3.13Å; E524-V526 PolarHBondContact O-N 3.4Å |
| 525 | A | 78.8 | Confident | 89.1 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -69.1 | -8.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K448 L449 L521 V522 | K448-A525 WeakPolarHBondContact CD-O 3.4Å; K448-A525 WeakPolarHBondContact CE-O 3.2Å; K448-A525 WeakPolarHBondContact CG-O 3.39Å; L449-A525 HydrophobicContact CD2-CB 3.6Å; L449-A525 HydrophobicContact CG-CB 3.88Å; L521-A525 PolarHBondContact O-N 3.48Å; V522-A525 PolarHBondContact O-N 3.31Å |
| 526 | V | 83.8 | Confident | 89 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -117.2 | 142.8 | -169 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | T389 I392 E524 F531 | T389-V526 HydrophobicContact CG2-CG1 3.75Å; I392-V526 HydrophobicContact CD1-CG2 3.39Å; I392-V526 HydrophobicContact CG2-CG2 4.32Å; E524-V526 PolarHBondContact O-N 3.4Å; V526-F531 HydrophobicContact CG1-CB 3.94Å; V526-F531 HydrophobicContact CG1-CD2 4.42Å |
| 527 | D | 84.5 | Confident | 89 | Confident | 66 Ų | 66 | 29.8 Ų | 29.8 | 35% | 0.353 | 17% | 0.168 | S | C | . | . | trans | -65.4 | 137.8 | 172.7 | 165.6 | 55 | 0 | 0 | 0 | 111.3 | N529 A530 F531 | D527-N529 PolarHBondContact O-N 3.47Å; D527-N529 PolarHBondContact OD1-N 3.2Å; D527-N529 WeakPolarHBondContact OD2-CA 3.3Å; D527-N529 WeakPolarHBondContact OD2-CB 3.49Å; D527-N529 PolarHBondContact OD2-N 2.9Å; D527-A530 HydrophobicContact CB-CB 4.03Å; D527-A530 PolarHBondContact O-N 3.13Å; D527-A530 WeakPolarHBondContact OD2-CB 3.34Å; D527-A530 PolarHBondContact OD2-N 3.02Å; D527-F531 WeakPolarHBondContact O-CB 3.41Å; D527-F531 PolarHBondContact O-N 2.86Å | ||
| 528 | A | 88.1 | Confident | 89 | Confident | 10 Ų | 10 | 26.1 Ų | 26.1 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -36.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I532 L575 E579 I644 | A528-I532 WeakPolarHBondContact O-CB 3.5Å; A528-I532 WeakPolarHBondContact O-CD1 3.43Å; A528-I532 WeakPolarHBondContact O-CG1 3.44Å; A528-I532 PolarHBondContact O-N 2.91Å; A528-I532 VanDerWaalsContact O-N 3.1Å; A528-L575 HydrophobicContact CB-CD1 4.25Å; A528-L575 HydrophobicContact CB-CD2 4.14Å; A528-L575 HydrophobicContact CB-CG 4.44Å; A528-E579 HydrophobicContact CB-CG 4.34Å; A528-I644 HydrophobicContact CB-CG2 4.32Å |
| 529 | N | 88.4 | Confident | 89.2 | Confident | 35 Ų | 35 | 26.1 Ų | 26.1 | 19% | 0.187 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.8 | -44.6 | 178.1 | -69.8 | -68 | 0 | 0 | 0 | 111.2 | D527 I532 A533 I644 S645 | D527-N529 PolarHBondContact O-N 3.47Å; D527-N529 PolarHBondContact OD1-N 3.2Å; D527-N529 WeakPolarHBondContact OD2-CA 3.3Å; D527-N529 WeakPolarHBondContact OD2-CB 3.49Å; D527-N529 PolarHBondContact OD2-N 2.9Å; N529-I532 PolarHBondContact O-N 2.81Å; N529-A533 WeakPolarHBondContact O-CB 3.42Å; N529-A533 PolarHBondContact O-N 3.23Å; N529-I644 PolarHBondContact ND2-O 3.11Å; N529-I644 VanDerWaalsContact OD1-C 3.26Å; N529-I644 WeakPolarHBondContact OD1-CB 3.45Å; N529-I644 WeakPolarHBondContact OD1-CG2 3.4Å; N529-S645 PolarHBondContact OD1-N 2.95Å; N529-S645 VanDerWaalsContact OD1-N 3.16Å |
| 530 | A | 89.1 | Confident | 89.3 | Confident | 33 Ų | 33 | 29 Ų | 29 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T389 D527 A533 A534 | T389-A530 VanDerWaalsContact CG2-C 3.48Å; T389-A530 HydrophobicContact CG2-CB 3.93Å; T389-A530 WeakPolarHBondContact CG2-O 3.38Å; D527-A530 HydrophobicContact CB-CB 4.03Å; D527-A530 PolarHBondContact O-N 3.13Å; D527-A530 WeakPolarHBondContact OD2-CB 3.34Å; D527-A530 PolarHBondContact OD2-N 3.02Å; A530-A533 PolarHBondContact O-N 3.31Å; A530-A534 WeakPolarHBondContact O-CB 3.41Å; A530-A534 PolarHBondContact O-N 3.21Å |
| 531 | F | 91.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.2 | -178.2 | -86.2 | 0 | 0 | 0 | 112 | I392 V526 D527 A534 Q535 R571 L575 | I392-F531 HydrophobicContact CG2-CD2 4.47Å; I392-F531 HydrophobicContact CG2-CE2 4.2Å; V526-F531 HydrophobicContact CG1-CB 3.94Å; V526-F531 HydrophobicContact CG1-CD2 4.42Å; D527-F531 WeakPolarHBondContact O-CB 3.41Å; D527-F531 PolarHBondContact O-N 2.86Å; F531-A534 PolarHBondContact O-N 3.01Å; F531-Q535 HydrophobicContact CD1-CG 3.93Å; F531-Q535 HydrophobicContact CE1-CG 3.58Å; F531-Q535 HydrophobicContact CZ-CG 4.07Å; F531-Q535 VanDerWaalsContact CZ-NE2 3.34Å; F531-Q535 WeakPolarHBondContact O-CG 3.3Å; F531-Q535 PolarHBondContact O-N 3.1Å; F531-R571 HydrophobicContact CE1-CB 4.43Å; F531-R571 HydrophobicContact CZ-CB 4.35Å; F531-L575 HydrophobicContact CB-CD2 4.18Å; F531-L575 HydrophobicContact CD1-CD2 3.45Å; F531-L575 VanDerWaalsContact CD1-CD2 3.45Å; F531-L575 HydrophobicContact CE1-CD2 4.1Å; F531-L575 HydrophobicContact CG-CD2 4.09Å |
| 532 | I | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 179.5 | -70.8 | 168.7 | 0 | 0 | 0 | 111 | A528 N529 Q535 E536 V572 L575 I576 I637 I640 K641 I644 | A528-I532 WeakPolarHBondContact O-CB 3.5Å; A528-I532 WeakPolarHBondContact O-CD1 3.43Å; A528-I532 WeakPolarHBondContact O-CG1 3.44Å; A528-I532 PolarHBondContact O-N 2.91Å; A528-I532 VanDerWaalsContact O-N 3.1Å; N529-I532 PolarHBondContact O-N 2.81Å; I532-Q535 PolarHBondContact O-N 2.91Å; I532-E536 WeakPolarHBondContact O-CB 3.3Å; I532-E536 PolarHBondContact O-N 3.06Å; I532-V572 HydrophobicContact CG1-CG1 4.42Å; I532-L575 HydrophobicContact CD1-CD2 3.99Å; I532-L575 HydrophobicContact CG1-CD2 3.79Å; I532-I576 HydrophobicContact CD1-CG1 4.45Å; I532-I637 HydrophobicContact CG2-CG2 4.18Å; I532-I640 HydrophobicContact CD1-CG2 4.02Å; I532-K641 HydrophobicContact CG2-CB 4.42Å; I532-I644 HydrophobicContact CD1-CD1 3.48Å; I532-I644 VanDerWaalsContact CD1-CD1 3.48Å |
| 533 | A | 92.4 | Very high | 90.3 | Very high | 31 Ų | 31 | 29.4 Ų | 29.4 | 26% | 0.256 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N529 A530 E536 I537 | N529-A533 WeakPolarHBondContact O-CB 3.42Å; N529-A533 PolarHBondContact O-N 3.23Å; A530-A533 PolarHBondContact O-N 3.31Å; A533-E536 PolarHBondContact O-N 2.78Å; A533-I537 VanDerWaalsContact O-CG1 3.29Å; A533-I537 WeakPolarHBondContact O-CG1 3.42Å; A533-I537 PolarHBondContact O-N 2.84Å |
| 534 | A | 92 | Very high | 90.7 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 13% | 0.132 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.8 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T389 A393 A530 F531 G538 | T389-A534 HydrophobicContact CG2-CB 3.9Å; A393-A534 HydrophobicContact CB-CB 3.7Å; A530-A534 WeakPolarHBondContact O-CB 3.41Å; A530-A534 PolarHBondContact O-N 3.21Å; F531-A534 PolarHBondContact O-N 3.01Å; A534-G538 PolarHBondContact O-N 2.75Å |
| 535 | Q | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.9 | -43 | 172.2 | -67.2 | -60 | -8.4 | 0 | 0 | 112.1 | A393 F531 I532 I537 G538 M539 V572 | A393-Q535 VanDerWaalsContact CA-NE2 3.31Å; A393-Q535 HydrophobicContact CB-CG 4.47Å; A393-Q535 PolarHBondContact O-NE2 2.87Å; F531-Q535 HydrophobicContact CD1-CG 3.93Å; F531-Q535 HydrophobicContact CE1-CG 3.58Å; F531-Q535 HydrophobicContact CZ-CG 4.07Å; F531-Q535 VanDerWaalsContact CZ-NE2 3.34Å; F531-Q535 WeakPolarHBondContact O-CG 3.3Å; F531-Q535 PolarHBondContact O-N 3.1Å; I532-Q535 PolarHBondContact O-N 2.91Å; Q535-I537 PolarHBondContact O-N 2.8Å; Q535-G538 CarbonylContact O-C 3.43Å; Q535-G538 PolarHBondContact O-N 3.43Å; Q535-M539 WeakPolarHBondContact O-CB 3.31Å; Q535-M539 WeakPolarHBondContact O-CG 3.47Å; Q535-M539 PolarHBondContact O-N 3.47Å; Q535-V572 HydrophobicContact CB-CG2 3.6Å; Q535-V572 HydrophobicContact CG-CG2 3.91Å |
| 536 | E | 94.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 30.7 Ų | 30.7 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 175.8 | -175.1 | -178.6 | -157 | 0 | 0 | 111.6 | I532 A533 G538 M539 L540 I637 K641 | I532-E536 WeakPolarHBondContact O-CB 3.3Å; I532-E536 PolarHBondContact O-N 3.06Å; A533-E536 PolarHBondContact O-N 2.78Å; E536-G538 PolarHBondContact O-N 3.38Å; E536-M539 PolarHBondContact O-N 3.49Å; E536-L540 WeakPolarHBondContact O-CG 3.34Å; E536-L540 PolarHBondContact O-N 3.31Å; E536-I637 HydrophobicContact CB-CG2 4.06Å; E536-I637 HydrophobicContact CG-CG2 4.22Å; E536-K641 IonicContact OE1-NZ 3.69Å; E536-K641 PolarHBondContact OE1-NZ 3.2Å; E536-K641 IonicContact OE2-NZ 3.69Å; E536-K641 PolarHBondContact OE2-NZ 3.09Å |
| 537 | I | 92 | Very high | 92.6 | Very high | 114 Ų | 114 | 32.8 Ų | 32.8 | 59% | 0.585 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -60.3 | -45.1 | 173.8 | -67.8 | 164.1 | 0 | 0 | 0 | 110.8 | A533 Q535 M539 L540 R541 | A533-I537 VanDerWaalsContact O-CG1 3.29Å; A533-I537 WeakPolarHBondContact O-CG1 3.42Å; A533-I537 PolarHBondContact O-N 2.84Å; Q535-I537 PolarHBondContact O-N 2.8Å; I537-M539 VanDerWaalsContact C-N 3.28Å; I537-M539 PolarHBondContact O-N 3.17Å; I537-L540 PolarHBondContact O-N 3.34Å; I537-R541 PolarHBondContact O-N 3.19Å |
| 538 | G | 91.2 | Very high | 93 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.2 | -37.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A534 Q535 E536 R541 D542 | A534-G538 PolarHBondContact O-N 2.75Å; Q535-G538 CarbonylContact O-C 3.43Å; Q535-G538 PolarHBondContact O-N 3.43Å; E536-G538 PolarHBondContact O-N 3.38Å; G538-R541 PolarHBondContact O-N 3.22Å; G538-D542 WeakPolarHBondContact O-CB 3.4Å; G538-D542 VanDerWaalsContact O-CG 3.27Å; G538-D542 PolarHBondContact O-N 2.86Å |
| 539 | M | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74.4 | -33.2 | 178 | -68.5 | 169.9 | 73 | 0 | 0 | 112.5 | Q535 E536 I537 S543 I565 R568 A569 L633 L634 I637 | Q535-M539 WeakPolarHBondContact O-CB 3.31Å; Q535-M539 WeakPolarHBondContact O-CG 3.47Å; Q535-M539 PolarHBondContact O-N 3.47Å; E536-M539 PolarHBondContact O-N 3.49Å; I537-M539 VanDerWaalsContact C-N 3.28Å; I537-M539 PolarHBondContact O-N 3.17Å; M539-S543 VanDerWaalsContact O-CB 3.28Å; M539-S543 WeakPolarHBondContact O-CB 3.24Å; M539-S543 PolarHBondContact O-N 2.97Å; M539-S543 PolarHBondContact O-OG 2.87Å; M539-I565 HydrophobicContact CE-CG2 3.66Å; M539-I565 WeakPolarHBondContact CE-O 3.27Å; M539-R568 HydrophobicContact CG-CB 3.44Å; M539-R568 VanDerWaalsContact CG-CB 3.44Å; M539-R568 VanDerWaalsContact CG-CD 3.4Å; M539-R568 HydrophobicContact CG-CG 4.07Å; M539-R568 HydrophobicContact SD-CB 3.55Å; M539-R568 VanDerWaalsContact SD-CB 3.55Å; M539-A569 HydrophobicContact CE-CB 3.81Å; M539-L633 HydrophobicContact CE-CD2 3.31Å; M539-L634 HydrophobicContact CB-CD2 4.02Å; M539-I637 HydrophobicContact CE-CD1 3.36Å; M539-I637 HydrophobicContact SD-CD1 3.43Å; M539-I637 WeakPolarHBondContact SD-CD1 3.41Å |
| 540 | L | 95.6 | Very high | 93.5 | Very high | 92 Ų | 92 | 32.8 Ų | 32.8 | 48% | 0.482 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 170 | -70.1 | 167.6 | 0 | 0 | 0 | 111.2 | E536 I537 S543 A544 L634 | E536-L540 WeakPolarHBondContact O-CG 3.34Å; E536-L540 PolarHBondContact O-N 3.31Å; I537-L540 PolarHBondContact O-N 3.34Å; L540-S543 WeakPolarHBondContact O-CB 3.33Å; L540-S543 PolarHBondContact O-N 2.86Å; L540-A544 PolarHBondContact O-N 3.07Å; L540-L634 HydrophobicContact CD2-CD1 3.85Å; L540-L634 HydrophobicContact CD2-CD2 4.25Å; L540-L634 HydrophobicContact CG-CD2 4.41Å |
| 541 | R | 93.8 | Very high | 93.6 | Very high | 73 Ų | 73 | 35.3 Ų | 35.3 | 28% | 0.275 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 174.6 | -173.2 | 177.9 | 65.6 | -166 | -5.8 | 112.2 | E394 I537 G538 S543 A544 R545 | E394-R541 IonicContact OE1-CZ 3.91Å; E394-R541 VanDerWaalsContact OE1-CZ 3.23Å; E394-R541 IonicContact OE1-NH1 3.86Å; E394-R541 PolarHBondContact OE1-NH1 3.31Å; E394-R541 IonicContact OE1-NH2 2.83Å; E394-R541 PolarHBondContact OE1-NH2 3.35Å; E394-R541 IonicContact OE2-CZ 2.87Å; E394-R541 IonicContact OE2-NH1 3.59Å; E394-R541 PolarHBondContact OE2-NH1 3.02Å; E394-R541 IonicContact OE2-NH2 3.77Å; E394-R541 PolarHBondContact OE2-NH2 2.76Å; I537-R541 PolarHBondContact O-N 3.19Å; G538-R541 PolarHBondContact O-N 3.22Å; R541-S543 VanDerWaalsContact C-N 3.29Å; R541-S543 PolarHBondContact O-N 3.32Å; R541-A544 PolarHBondContact O-N 3.01Å; R541-R545 PolarHBondContact O-N 3.05Å; R541-R545 VanDerWaalsContact O-N 3.07Å |
| 542 | D | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.3 | -28.9 | 177.3 | -68 | -38.7 | 0 | 0 | 0 | 111.3 | G538 R545 T546 S561 R564 I565 R568 | G538-D542 WeakPolarHBondContact O-CB 3.4Å; G538-D542 VanDerWaalsContact O-CG 3.27Å; G538-D542 PolarHBondContact O-N 2.86Å; D542-R545 WeakPolarHBondContact O-CB 3.21Å; D542-R545 PolarHBondContact O-N 2.93Å; D542-R545 IonicContact OD1-NH1 3.84Å; D542-T546 PolarHBondContact O-N 3.14Å; D542-T546 PolarHBondContact O-OG1 3.05Å; D542-S561 WeakPolarHBondContact O-CB 3.38Å; D542-R564 HydrophobicContact CB-CB 4.23Å; D542-R564 IonicContact OD1-CZ 2.62Å; D542-R564 IonicContact OD1-NE 3.66Å; D542-R564 PolarHBondContact OD1-NE 3.35Å; D542-R564 IonicContact OD1-NH2 2.91Å; D542-R564 PolarHBondContact OD1-NH2 3.19Å; D542-R564 VanDerWaalsContact OD1-NH2 3.15Å; D542-R564 IonicContact OD2-NE 3.6Å; D542-R564 IonicContact OD2-NH2 3.03Å; D542-I565 HydrophobicContact CB-CG1 3.88Å; D542-R568 IonicContact OD2-CZ 3.13Å; D542-R568 IonicContact OD2-NE 3.81Å; D542-R568 PolarHBondContact OD2-NE 2.63Å; D542-R568 IonicContact OD2-NH2 2.7Å; D542-R568 PolarHBondContact OD2-NH2 2.75Å |
| 543 | S | 95.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 170.8 | -60.8 | 0 | 0 | 0 | 0 | 113 | M539 L540 R541 R545 T546 E547 N630 | M539-S543 VanDerWaalsContact O-CB 3.28Å; M539-S543 WeakPolarHBondContact O-CB 3.24Å; M539-S543 PolarHBondContact O-N 2.97Å; M539-S543 PolarHBondContact O-OG 2.87Å; L540-S543 WeakPolarHBondContact O-CB 3.33Å; L540-S543 PolarHBondContact O-N 2.86Å; R541-S543 VanDerWaalsContact C-N 3.29Å; R541-S543 PolarHBondContact O-N 3.32Å; S543-R545 VanDerWaalsContact C-N 3.27Å; S543-R545 PolarHBondContact O-N 2.92Å; S543-T546 WeakPolarHBondContact O-CA 3.43Å; S543-T546 WeakPolarHBondContact O-CB 3.1Å; S543-T546 PolarHBondContact O-N 2.89Å; S543-E547 PolarHBondContact O-N 3.32Å; S543-N630 WeakPolarHBondContact CB-ND2 3.44Å; S543-N630 PolarHBondContact OG-ND2 2.98Å |
| 544 | A | 95.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L540 R541 T546 E547 N548 | L540-A544 PolarHBondContact O-N 3.07Å; R541-A544 PolarHBondContact O-N 3.01Å; A544-T546 VanDerWaalsContact C-N 3.34Å; A544-T546 PolarHBondContact O-N 3.5Å; A544-E547 PolarHBondContact O-N 2.9Å; A544-N548 VanDerWaalsContact O-CG 3.31Å; A544-N548 PolarHBondContact O-N 3.49Å; A544-N548 PolarHBondContact O-OD1 3.38Å |
| 545 | R | 93.9 | Very high | 93.5 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -34.7 | 170.4 | -76.3 | 177.6 | 162.8 | 159.9 | -6.5 | 112.7 | D320 R541 D542 S543 S549 | D320-R545 IonicContact OD2-CZ 3.94Å; D320-R545 IonicContact OD2-NE 2.74Å; D320-R545 IonicContact OD2-NH2 3.67Å; D320-R545 PolarHBondContact OD2-NH2 3.04Å; R541-R545 PolarHBondContact O-N 3.05Å; R541-R545 VanDerWaalsContact O-N 3.07Å; D542-R545 WeakPolarHBondContact O-CB 3.21Å; D542-R545 PolarHBondContact O-N 2.93Å; D542-R545 IonicContact OD1-NH1 3.84Å; S543-R545 VanDerWaalsContact C-N 3.27Å; S543-R545 PolarHBondContact O-N 2.92Å; R545-S549 WeakPolarHBondContact O-CB 3.41Å; R545-S549 PolarHBondContact O-N 3.12Å; R545-S549 PolarHBondContact O-OG 3.35Å |
| 546 | T | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 171.3 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | D542 S543 A544 N548 S549 I550 V558 S561 T562 W626 | D542-T546 PolarHBondContact O-N 3.14Å; D542-T546 PolarHBondContact O-OG1 3.05Å; S543-T546 WeakPolarHBondContact O-CA 3.43Å; S543-T546 WeakPolarHBondContact O-CB 3.1Å; S543-T546 PolarHBondContact O-N 2.89Å; A544-T546 VanDerWaalsContact C-N 3.34Å; A544-T546 PolarHBondContact O-N 3.5Å; T546-N548 PolarHBondContact O-N 3.13Å; T546-S549 CarbonylContact O-C 3.43Å; T546-S549 WeakPolarHBondContact O-CA 3.41Å; T546-S549 WeakPolarHBondContact O-CB 3.25Å; T546-S549 PolarHBondContact O-N 2.85Å; T546-I550 HydrophobicContact CG2-CD1 4.3Å; T546-I550 WeakPolarHBondContact O-CG1 3.39Å; T546-I550 PolarHBondContact O-N 2.96Å; T546-V558 HydrophobicContact CG2-CG1 4.29Å; T546-V558 HydrophobicContact CG2-CG2 4.34Å; T546-S561 WeakPolarHBondContact CA-OG 3.41Å; T546-S561 WeakPolarHBondContact CB-OG 3.4Å; T546-S561 VanDerWaalsContact OG1-CB 3.23Å; T546-S561 WeakPolarHBondContact OG1-CB 3.26Å; T546-S561 PolarHBondContact OG1-OG 2.94Å; T546-T562 HydrophobicContact CG2-CG2 3.75Å; T546-W626 VanDerWaalsContact CB-CH2 3.47Å; T546-W626 HydrophobicContact CG2-CD2 4.37Å; T546-W626 HydrophobicContact CG2-CE3 4.3Å; T546-W626 HydrophobicContact CG2-CH2 3.56Å; T546-W626 HydrophobicContact CG2-CZ2 3.62Å; T546-W626 HydrophobicContact CG2-CZ3 3.91Å |
| 547 | E | 94.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 177.3 | -67.8 | -70.7 | 177.8 | 0 | 0 | 112.2 | S543 A544 S549 I550 A551 W626 R627 | S543-E547 PolarHBondContact O-N 3.32Å; A544-E547 PolarHBondContact O-N 2.9Å; E547-S549 VanDerWaalsContact C-N 3.28Å; E547-S549 PolarHBondContact O-N 3.46Å; E547-I550 WeakPolarHBondContact O-CB 3.45Å; E547-I550 PolarHBondContact O-N 2.73Å; E547-A551 PolarHBondContact O-N 3.11Å; E547-W626 HydrophobicContact CG-CZ3 4.41Å; E547-R627 WeakPolarHBondContact OE1-CD 3.33Å; E547-R627 WeakPolarHBondContact OE1-CG 3.35Å; E547-R627 IonicContact OE1-CZ 2.68Å; E547-R627 IonicContact OE1-NE 3.16Å; E547-R627 PolarHBondContact OE1-NE 2.86Å; E547-R627 IonicContact OE1-NH2 2.69Å; E547-R627 IonicContact OE2-CZ 3.79Å; E547-R627 IonicContact OE2-NE 3.33Å; E547-R627 PolarHBondContact OE2-NE 3.27Å; E547-R627 IonicContact OE2-NH2 2.74Å; E547-R627 PolarHBondContact OE2-NH2 2.96Å |
| 548 | N | 94.1 | Very high | 93.3 | Very high | 86 Ų | 86 | 44 Ų | 44 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 174 | -69.6 | 2.4 | 0 | 0 | 0 | 111.9 | A544 T546 A551 A552 | A544-N548 VanDerWaalsContact O-CG 3.31Å; A544-N548 PolarHBondContact O-N 3.49Å; A544-N548 PolarHBondContact O-OD1 3.38Å; T546-N548 PolarHBondContact O-N 3.13Å; N548-A551 PolarHBondContact O-N 3.04Å; N548-A552 VanDerWaalsContact O-CB 3.31Å; N548-A552 WeakPolarHBondContact O-CB 3.26Å; N548-A552 PolarHBondContact O-N 2.86Å |
| 549 | S | 93.9 | Very high | 93.4 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 12% | 0.119 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.1 | -35.5 | 175.8 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | R545 T546 E547 A552 I553 S554 G557 | R545-S549 WeakPolarHBondContact O-CB 3.41Å; R545-S549 PolarHBondContact O-N 3.12Å; R545-S549 PolarHBondContact O-OG 3.35Å; T546-S549 CarbonylContact O-C 3.43Å; T546-S549 WeakPolarHBondContact O-CA 3.41Å; T546-S549 WeakPolarHBondContact O-CB 3.25Å; T546-S549 PolarHBondContact O-N 2.85Å; E547-S549 VanDerWaalsContact C-N 3.28Å; E547-S549 PolarHBondContact O-N 3.46Å; S549-A552 CarbonylContact O-C 2.88Å; S549-A552 PolarHBondContact O-N 3.17Å; S549-I553 PolarHBondContact O-N 3.34Å; S549-I553 VanDerWaalsContact O-N 3.1Å; S549-S554 PolarHBondContact O-N 3.47Å; S549-G557 VanDerWaalsContact OG-C 3.31Å; S549-G557 WeakPolarHBondContact OG-CA 3.35Å |
| 550 | I | 91.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 171.8 | -64.7 | 166.4 | 0 | 0 | 0 | 109.8 | T546 E547 A552 I553 V558 L613 H623 W626 | T546-I550 HydrophobicContact CG2-CD1 4.3Å; T546-I550 WeakPolarHBondContact O-CG1 3.39Å; T546-I550 PolarHBondContact O-N 2.96Å; E547-I550 WeakPolarHBondContact O-CB 3.45Å; E547-I550 PolarHBondContact O-N 2.73Å; I550-A552 VanDerWaalsContact C-N 3.26Å; I550-A552 PolarHBondContact O-N 1.99Å; I550-I553 PolarHBondContact O-N 3.21Å; I550-V558 HydrophobicContact CG1-CG2 3.99Å; I550-L613 HydrophobicContact CD1-CD1 4.2Å; I550-L613 HydrophobicContact CD1-CD2 3.66Å; I550-L613 HydrophobicContact CG1-CD1 4.17Å; I550-L613 HydrophobicContact CG1-CD2 3.82Å; I550-L613 HydrophobicContact CG1-CG 4.38Å; I550-H623 WeakPolarHBondContact CG2-CE1 3.49Å; I550-H623 WeakPolarHBondContact CG2-NE2 3.48Å; I550-W626 HydrophobicContact CD1-CE3 4.19Å; I550-W626 HydrophobicContact CD1-CZ3 4.41Å |
| 551 | A | 92.4 | Very high | 93.1 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 71% | 0.711 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.3 | -32.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E547 N548 I553 | E547-A551 PolarHBondContact O-N 3.11Å; N548-A551 PolarHBondContact O-N 3.04Å; A551-I553 VanDerWaalsContact C-N 3.35Å |
| 552 | A | 92.8 | Very high | 93.2 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 60% | 0.603 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N548 S549 I550 S554 | N548-A552 VanDerWaalsContact O-CB 3.31Å; N548-A552 WeakPolarHBondContact O-CB 3.26Å; N548-A552 PolarHBondContact O-N 2.86Å; S549-A552 CarbonylContact O-C 2.88Å; S549-A552 PolarHBondContact O-N 3.17Å; I550-A552 VanDerWaalsContact C-N 3.26Å; I550-A552 PolarHBondContact O-N 1.99Å; A552-S554 PolarHBondContact O-N 3.44Å |
| 553 | I | 90.4 | Very high | 93.2 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 32.2 | -177.7 | -40.8 | -175.9 | 0 | 0 | 0 | 111.9 | S549 I550 A551 T555 I617 | S549-I553 PolarHBondContact O-N 3.34Å; S549-I553 VanDerWaalsContact O-N 3.1Å; I550-I553 PolarHBondContact O-N 3.21Å; A551-I553 VanDerWaalsContact C-N 3.35Å; I553-T555 PolarHBondContact O-N 3.29Å; I553-I617 HydrophobicContact CG2-CD1 4.44Å; I553-I617 HydrophobicContact CG2-CG1 4.4Å; I553-I617 HydrophobicContact CG2-CG2 3.6Å |
| 554 | S | 92.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | trans | -94.9 | 96 | -177 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | S549 A552 T556 G557 V558 | S549-S554 PolarHBondContact O-N 3.47Å; A552-S554 PolarHBondContact O-N 3.44Å; S554-T556 VanDerWaalsContact C-N 3.33Å; S554-T556 PolarHBondContact O-N 3.48Å; S554-T556 PolarHBondContact OG-OG1 3.4Å; S554-G557 PolarHBondContact O-N 3.23Å; S554-G557 PolarHBondContact OG-N 3.17Å; S554-V558 WeakPolarHBondContact O-CG2 3.34Å; S554-V558 PolarHBondContact O-N 3.4Å; S554-V558 VanDerWaalsContact O-N 3.09Å | ||
| 555 | T | 91.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 48.6 Ų | 48.6 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | I553 V558 V559 V614 I617 | I553-T555 PolarHBondContact O-N 3.29Å; T555-V558 PolarHBondContact O-N 3.34Å; T555-V559 WeakPolarHBondContact O-CG2 3.25Å; T555-V559 PolarHBondContact O-N 2.96Å; T555-V559 VanDerWaalsContact O-N 3.1Å; T555-V614 HydrophobicContact CG2-CG1 4.47Å; T555-I617 HydrophobicContact CG2-CB 4.48Å; T555-I617 HydrophobicContact CG2-CD1 4.01Å; T555-I617 HydrophobicContact CG2-CG2 4.33Å |
| 556 | T | 91.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.6 | -46 | 175.2 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | S554 V558 V559 E560 | S554-T556 VanDerWaalsContact C-N 3.33Å; S554-T556 PolarHBondContact O-N 3.48Å; S554-T556 PolarHBondContact OG-OG1 3.4Å; T556-V558 VanDerWaalsContact C-N 3.29Å; T556-V558 PolarHBondContact O-N 3.04Å; T556-V559 PolarHBondContact O-N 2.88Å; T556-V559 VanDerWaalsContact O-N 3.1Å; T556-E560 WeakPolarHBondContact O-CG 3.36Å; T556-E560 PolarHBondContact O-N 3.49Å |
| 557 | G | 91.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S549 S554 S561 | S549-G557 VanDerWaalsContact OG-C 3.31Å; S549-G557 WeakPolarHBondContact OG-CA 3.35Å; S554-G557 PolarHBondContact O-N 3.23Å; S554-G557 PolarHBondContact OG-N 3.17Å; G557-S561 VanDerWaalsContact O-CB 3.28Å; G557-S561 WeakPolarHBondContact O-CB 3.5Å; G557-S561 PolarHBondContact O-N 3.15Å; G557-S561 PolarHBondContact O-OG 3.33Å |
| 558 | V | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 172.1 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | T546 I550 S554 T555 T556 S561 T562 L613 V614 I617 | T546-V558 HydrophobicContact CG2-CG1 4.29Å; T546-V558 HydrophobicContact CG2-CG2 4.34Å; I550-V558 HydrophobicContact CG1-CG2 3.99Å; S554-V558 WeakPolarHBondContact O-CG2 3.34Å; S554-V558 PolarHBondContact O-N 3.4Å; S554-V558 VanDerWaalsContact O-N 3.09Å; T555-V558 PolarHBondContact O-N 3.34Å; T556-V558 VanDerWaalsContact C-N 3.29Å; T556-V558 PolarHBondContact O-N 3.04Å; V558-S561 PolarHBondContact O-OG 3.23Å; V558-T562 HydrophobicContact CG1-CG2 4.49Å; V558-T562 WeakPolarHBondContact O-CB 3.49Å; V558-T562 WeakPolarHBondContact O-CG2 3.36Å; V558-T562 PolarHBondContact O-N 2.83Å; V558-T562 PolarHBondContact O-OG1 3.14Å; V558-L613 HydrophobicContact CG1-CD2 3.62Å; V558-L613 HydrophobicContact CG1-CG 4.1Å; V558-L613 HydrophobicContact CG2-CD2 4.34Å; V558-V614 HydrophobicContact CB-CG2 4.19Å; V558-V614 HydrophobicContact CG1-CG2 3.75Å; V558-I617 HydrophobicContact CG2-CD1 4.24Å |
| 559 | V | 93.9 | Very high | 93.6 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.2 | -48 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | T555 T556 T562 T563 V614 | T555-V559 WeakPolarHBondContact O-CG2 3.25Å; T555-V559 PolarHBondContact O-N 2.96Å; T555-V559 VanDerWaalsContact O-N 3.1Å; T556-V559 PolarHBondContact O-N 2.88Å; T556-V559 VanDerWaalsContact O-N 3.1Å; V559-T562 PolarHBondContact O-OG1 3.48Å; V559-T563 WeakPolarHBondContact O-CB 3.19Å; V559-T563 PolarHBondContact O-N 3.16Å; V559-T563 PolarHBondContact O-OG1 3.47Å; V559-V614 HydrophobicContact CG2-CG1 4.4Å; V559-V614 HydrophobicContact CG2-CG2 3.62Å |
| 560 | E | 91.5 | Very high | 93.7 | Very high | 128 Ų | 128 | 43 Ų | 43 | 60% | 0.598 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.2 | -48.1 | -177.5 | -72.2 | 179.6 | -160.8 | 0 | 0 | 112.5 | T556 T563 R564 | T556-E560 WeakPolarHBondContact O-CG 3.36Å; T556-E560 PolarHBondContact O-N 3.49Å; E560-T563 PolarHBondContact O-N 2.74Å; E560-R564 VanDerWaalsContact O-CG 3.29Å; E560-R564 WeakPolarHBondContact O-CG 3.47Å; E560-R564 PolarHBondContact O-N 3.04Å |
| 561 | S | 92.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -46.5 | -179.5 | 56.5 | 0 | 0 | 0 | 0 | 112 | D542 T546 G557 V558 T563 R564 I565 | D542-S561 WeakPolarHBondContact O-CB 3.38Å; T546-S561 WeakPolarHBondContact CA-OG 3.41Å; T546-S561 WeakPolarHBondContact CB-OG 3.4Å; T546-S561 VanDerWaalsContact OG1-CB 3.23Å; T546-S561 WeakPolarHBondContact OG1-CB 3.26Å; T546-S561 PolarHBondContact OG1-OG 2.94Å; G557-S561 VanDerWaalsContact O-CB 3.28Å; G557-S561 WeakPolarHBondContact O-CB 3.5Å; G557-S561 PolarHBondContact O-N 3.15Å; G557-S561 PolarHBondContact O-OG 3.33Å; V558-S561 PolarHBondContact O-OG 3.23Å; S561-T563 VanDerWaalsContact C-N 3.33Å; S561-T563 PolarHBondContact O-N 3.43Å; S561-R564 WeakPolarHBondContact O-CB 3.15Å; S561-R564 PolarHBondContact O-N 2.94Å; S561-R564 VanDerWaalsContact O-N 3.09Å; S561-I565 WeakPolarHBondContact O-CG1 3.22Å; S561-I565 PolarHBondContact O-N 3.48Å |
| 562 | T | 95.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.8 | -32.4 | 176.4 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | T546 V558 V559 R564 I565 A566 M606 A610 W626 | T546-T562 HydrophobicContact CG2-CG2 3.75Å; V558-T562 HydrophobicContact CG1-CG2 4.49Å; V558-T562 WeakPolarHBondContact O-CB 3.49Å; V558-T562 WeakPolarHBondContact O-CG2 3.36Å; V558-T562 PolarHBondContact O-N 2.83Å; V558-T562 PolarHBondContact O-OG1 3.14Å; V559-T562 PolarHBondContact O-OG1 3.48Å; T562-R564 VanDerWaalsContact C-N 3.35Å; T562-I565 PolarHBondContact O-N 3.23Å; T562-A566 WeakPolarHBondContact O-CB 3.4Å; T562-A566 PolarHBondContact O-N 2.85Å; T562-M606 HydrophobicContact CG2-SD 4.41Å; T562-A610 HydrophobicContact CG2-CB 3.78Å; T562-W626 HydrophobicContact CG2-CZ2 3.94Å |
| 563 | T | 94.9 | Very high | 93.9 | Very high | 40 Ų | 40 | 35.5 Ų | 35.5 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.5 | -33 | 171 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | V559 E560 S561 R567 | V559-T563 WeakPolarHBondContact O-CB 3.19Å; V559-T563 PolarHBondContact O-N 3.16Å; V559-T563 PolarHBondContact O-OG1 3.47Å; E560-T563 PolarHBondContact O-N 2.74Å; S561-T563 VanDerWaalsContact C-N 3.33Å; S561-T563 PolarHBondContact O-N 3.43Å; T563-R567 WeakPolarHBondContact O-CG 3.47Å; T563-R567 PolarHBondContact O-N 2.8Å; T563-R567 PolarHBondContact O-NE 3.03Å |
| 564 | R | 94.1 | Very high | 94 | Very high | 82 Ų | 82 | 36.2 Ų | 36.2 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.7 | -47.9 | 170.6 | -68.3 | 161.9 | 67.6 | 107.7 | 8.2 | 110.8 | D542 E560 S561 T562 A566 R567 R568 | D542-R564 HydrophobicContact CB-CB 4.23Å; D542-R564 IonicContact OD1-CZ 2.62Å; D542-R564 IonicContact OD1-NE 3.66Å; D542-R564 PolarHBondContact OD1-NE 3.35Å; D542-R564 IonicContact OD1-NH2 2.91Å; D542-R564 PolarHBondContact OD1-NH2 3.19Å; D542-R564 VanDerWaalsContact OD1-NH2 3.15Å; D542-R564 IonicContact OD2-NE 3.6Å; D542-R564 IonicContact OD2-NH2 3.03Å; E560-R564 VanDerWaalsContact O-CG 3.29Å; E560-R564 WeakPolarHBondContact O-CG 3.47Å; E560-R564 PolarHBondContact O-N 3.04Å; S561-R564 WeakPolarHBondContact O-CB 3.15Å; S561-R564 PolarHBondContact O-N 2.94Å; S561-R564 VanDerWaalsContact O-N 3.09Å; T562-R564 VanDerWaalsContact C-N 3.35Å; R564-A566 VanDerWaalsContact C-N 3.34Å; R564-A566 PolarHBondContact O-N 2.74Å; R564-R567 PolarHBondContact O-N 2.87Å; R564-R568 WeakPolarHBondContact O-CG 3.48Å; R564-R568 PolarHBondContact O-N 3.37Å |
| 565 | I | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.8 | -49.1 | 174.8 | -61.2 | 168.8 | 0 | 0 | 0 | 110.7 | M539 D542 S561 T562 R567 R568 A569 M606 W626 | M539-I565 HydrophobicContact CE-CG2 3.66Å; M539-I565 WeakPolarHBondContact CE-O 3.27Å; D542-I565 HydrophobicContact CB-CG1 3.88Å; S561-I565 WeakPolarHBondContact O-CG1 3.22Å; S561-I565 PolarHBondContact O-N 3.48Å; T562-I565 PolarHBondContact O-N 3.23Å; I565-R567 PolarHBondContact O-N 2.69Å; I565-R568 PolarHBondContact O-N 2.7Å; I565-A569 WeakPolarHBondContact O-CB 3.24Å; I565-A569 PolarHBondContact O-N 3.16Å; I565-M606 HydrophobicContact CB-CE 4.17Å; I565-M606 HydrophobicContact CG2-CE 3.79Å; I565-W626 HydrophobicContact CD1-CZ2 4.07Å |
| 566 | A | 96.5 | Very high | 93.9 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T562 R564 N570 I603 M606 V607 | T562-A566 WeakPolarHBondContact O-CB 3.4Å; T562-A566 PolarHBondContact O-N 2.85Å; R564-A566 VanDerWaalsContact C-N 3.34Å; R564-A566 PolarHBondContact O-N 2.74Å; A566-N570 PolarHBondContact O-N 3.4Å; A566-N570 VanDerWaalsContact O-N 3.09Å; A566-N570 PolarHBondContact O-ND2 3.13Å; A566-I603 HydrophobicContact CB-CG2 4.48Å; A566-M606 HydrophobicContact CB-CE 4.08Å; A566-V607 HydrophobicContact CB-CG2 3.91Å |
| 567 | R | 95.5 | Very high | 93.9 | Very high | 62 Ų | 62 | 30 Ų | 30 | 23% | 0.234 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.8 | -42.8 | 176.9 | -75.8 | -178.9 | -69.1 | -169.7 | 7.2 | 112.5 | T397 D398 T563 R564 I565 N570 R571 | T397-R567 HydrophobicContact CG2-CB 4.07Å; D398-R567 IonicContact OD1-NH1 3.76Å; D398-R567 PolarHBondContact OD1-NH1 3.47Å; D398-R567 IonicContact OD2-CZ 3.67Å; D398-R567 IonicContact OD2-NH1 3.15Å; D398-R567 PolarHBondContact OD2-NH1 3.07Å; D398-R567 IonicContact OD2-NH2 2.75Å; T563-R567 WeakPolarHBondContact O-CG 3.47Å; T563-R567 PolarHBondContact O-N 2.8Å; T563-R567 PolarHBondContact O-NE 3.03Å; R564-R567 PolarHBondContact O-N 2.87Å; I565-R567 PolarHBondContact O-N 2.69Å; R567-N570 PolarHBondContact O-N 2.87Å; R567-R571 PolarHBondContact O-N 2.96Å |
| 568 | R | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 174.8 | -66.2 | -174.6 | -179 | -85.2 | 11.4 | 112 | A393 T397 M539 D542 R564 I565 N570 R571 V572 | A393-R568 PolarHBondContact O-NH1 3.47Å; T397-R568 HydrophobicContact CG2-CG 3.81Å; T397-R568 PolarHBondContact OG1-NH1 3.08Å; M539-R568 HydrophobicContact CG-CB 3.44Å; M539-R568 VanDerWaalsContact CG-CB 3.44Å; M539-R568 VanDerWaalsContact CG-CD 3.4Å; M539-R568 HydrophobicContact CG-CG 4.07Å; M539-R568 HydrophobicContact SD-CB 3.55Å; M539-R568 VanDerWaalsContact SD-CB 3.55Å; D542-R568 IonicContact OD2-CZ 3.13Å; D542-R568 IonicContact OD2-NE 3.81Å; D542-R568 PolarHBondContact OD2-NE 2.63Å; D542-R568 IonicContact OD2-NH2 2.7Å; D542-R568 PolarHBondContact OD2-NH2 2.75Å; R564-R568 WeakPolarHBondContact O-CG 3.48Å; R564-R568 PolarHBondContact O-N 3.37Å; I565-R568 PolarHBondContact O-N 2.7Å; R568-N570 VanDerWaalsContact C-N 3.28Å; R568-N570 PolarHBondContact O-N 3.35Å; R568-R571 PolarHBondContact O-N 3.45Å; R568-R571 VanDerWaalsContact O-N 3.15Å; R568-V572 PolarHBondContact O-N 3.43Å |
| 569 | A | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.3 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M539 I565 V572 L573 I603 L633 | M539-A569 HydrophobicContact CE-CB 3.81Å; I565-A569 WeakPolarHBondContact O-CB 3.24Å; I565-A569 PolarHBondContact O-N 3.16Å; A569-V572 PolarHBondContact O-N 3.07Å; A569-L573 WeakPolarHBondContact O-CG 3.08Å; A569-L573 PolarHBondContact O-N 3.48Å; A569-I603 HydrophobicContact CB-CD1 3.66Å; A569-I603 HydrophobicContact CB-CG1 3.91Å; A569-L633 HydrophobicContact CB-CD2 4.2Å |
| 570 | N | 95.3 | Very high | 93.4 | Very high | 44 Ų | 44 | 31.5 Ų | 31.5 | 24% | 0.235 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.2 | -34.2 | 176.2 | -80.3 | -73.6 | 0 | 0 | 0 | 113.4 | A566 R567 R568 L573 Q574 | A566-N570 PolarHBondContact O-N 3.4Å; A566-N570 VanDerWaalsContact O-N 3.09Å; A566-N570 PolarHBondContact O-ND2 3.13Å; R567-N570 PolarHBondContact O-N 2.87Å; R568-N570 VanDerWaalsContact C-N 3.28Å; R568-N570 PolarHBondContact O-N 3.35Å; N570-L573 WeakPolarHBondContact O-CB 3.11Å; N570-L573 PolarHBondContact O-N 2.85Å; N570-Q574 WeakPolarHBondContact O-CG 3.13Å; N570-Q574 PolarHBondContact O-N 3.32Å |
| 571 | R | 93.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 30 Ų | 30 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 171 | -69.7 | -165.7 | 75.9 | -163.1 | 7.8 | 112.2 | I392 A393 Y396 D523 F531 R567 R568 L573 Q574 L575 | I392-R571 PolarHBondContact O-NH1 3.41Å; A393-R571 PolarHBondContact O-NH1 3.36Å; Y396-R571 VanDerWaalsContact O-CD 3.31Å; Y396-R571 WeakPolarHBondContact O-CD 3.31Å; Y396-R571 VanDerWaalsContact O-CZ 3.24Å; Y396-R571 PolarHBondContact O-NE 3.47Å; Y396-R571 PolarHBondContact O-NH1 2.98Å; D523-R571 IonicContact OD1-CZ 3.75Å; D523-R571 IonicContact OD1-NH2 2.78Å; D523-R571 PolarHBondContact OD1-NH2 2.68Å; D523-R571 IonicContact OD2-CZ 2.76Å; D523-R571 IonicContact OD2-NH2 3.68Å; D523-R571 PolarHBondContact OD2-NH2 3.22Å; F531-R571 HydrophobicContact CE1-CB 4.43Å; F531-R571 HydrophobicContact CZ-CB 4.35Å; R567-R571 PolarHBondContact O-N 2.96Å; R568-R571 PolarHBondContact O-N 3.45Å; R568-R571 VanDerWaalsContact O-N 3.15Å; R571-L573 VanDerWaalsContact C-N 3.34Å; R571-Q574 PolarHBondContact O-N 3.47Å; R571-L575 PolarHBondContact O-N 3.41Å |
| 572 | V | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 172.2 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | I532 Q535 R568 A569 Q574 L575 I576 L599 I640 | I532-V572 HydrophobicContact CG1-CG1 4.42Å; Q535-V572 HydrophobicContact CB-CG2 3.6Å; Q535-V572 HydrophobicContact CG-CG2 3.91Å; R568-V572 PolarHBondContact O-N 3.43Å; A569-V572 PolarHBondContact O-N 3.07Å; V572-Q574 PolarHBondContact O-N 3.27Å; V572-L575 PolarHBondContact O-N 2.96Å; V572-I576 HydrophobicContact CG1-CD1 3.77Å; V572-I576 HydrophobicContact CG1-CG1 4.43Å; V572-I576 VanDerWaalsContact O-CD1 3.26Å; V572-I576 WeakPolarHBondContact O-CD1 3.15Å; V572-I576 WeakPolarHBondContact O-CG1 2.96Å; V572-I576 PolarHBondContact O-N 2.98Å; V572-L599 HydrophobicContact CB-CD2 4.33Å; V572-L599 HydrophobicContact CG1-CD2 3.77Å; V572-I640 HydrophobicContact CG1-CD1 4.38Å |
| 573 | L | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 173.8 | -74.1 | 174.3 | 0 | 0 | 0 | 114.1 | A569 N570 R571 I576 T577 V596 L599 R600 I603 | A569-L573 WeakPolarHBondContact O-CG 3.08Å; A569-L573 PolarHBondContact O-N 3.48Å; N570-L573 WeakPolarHBondContact O-CB 3.11Å; N570-L573 PolarHBondContact O-N 2.85Å; R571-L573 VanDerWaalsContact C-N 3.34Å; L573-I576 PolarHBondContact O-N 3.24Å; L573-T577 WeakPolarHBondContact O-CB 3.41Å; L573-T577 PolarHBondContact O-N 3.3Å; L573-T577 PolarHBondContact O-OG1 2.89Å; L573-V596 HydrophobicContact CD2-CB 4.47Å; L573-V596 HydrophobicContact CD2-CG1 4.15Å; L573-L599 HydrophobicContact CD1-CG 4.45Å; L573-L599 HydrophobicContact CD2-CB 3.91Å; L573-L599 HydrophobicContact CD2-CD2 3.73Å; L573-L599 HydrophobicContact CD2-CG 3.83Å; L573-L599 HydrophobicContact CG-CD2 3.74Å; L573-L599 HydrophobicContact CG-CG 4Å; L573-R600 HydrophobicContact CD1-CB 4.48Å; L573-R600 HydrophobicContact CD1-CG 3.48Å; L573-R600 VanDerWaalsContact CD1-CG 3.48Å; L573-R600 HydrophobicContact CD2-CG 3.74Å; L573-R600 HydrophobicContact CG-CG 4.27Å; L573-I603 HydrophobicContact CD1-CD1 3.46Å; L573-I603 VanDerWaalsContact CD1-CD1 3.46Å; L573-I603 HydrophobicContact CG-CD1 4.45Å |
| 574 | Q | 91.5 | Very high | 92.9 | Very high | 117 Ų | 117 | 31.3 Ų | 31.3 | 55% | 0.547 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 177.1 | -75.2 | 168.3 | -14.7 | 0 | 0 | 110.9 | N570 R571 V572 T577 R578 | N570-Q574 WeakPolarHBondContact O-CG 3.13Å; N570-Q574 PolarHBondContact O-N 3.32Å; R571-Q574 PolarHBondContact O-N 3.47Å; V572-Q574 PolarHBondContact O-N 3.27Å; Q574-T577 PolarHBondContact O-N 3.38Å; Q574-R578 PolarHBondContact O-N 3.28Å |
| 575 | L | 91.2 | Very high | 92.7 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.073 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -50.8 | 177.3 | 176.7 | 60.1 | 0 | 0 | 0 | 112.2 | A528 F531 I532 R571 V572 T577 R578 E579 | A528-L575 HydrophobicContact CB-CD1 4.25Å; A528-L575 HydrophobicContact CB-CD2 4.14Å; A528-L575 HydrophobicContact CB-CG 4.44Å; F531-L575 HydrophobicContact CB-CD2 4.18Å; F531-L575 HydrophobicContact CD1-CD2 3.45Å; F531-L575 VanDerWaalsContact CD1-CD2 3.45Å; F531-L575 HydrophobicContact CE1-CD2 4.1Å; F531-L575 HydrophobicContact CG-CD2 4.09Å; I532-L575 HydrophobicContact CD1-CD2 3.99Å; I532-L575 HydrophobicContact CG1-CD2 3.79Å; R571-L575 PolarHBondContact O-N 3.41Å; V572-L575 PolarHBondContact O-N 2.96Å; L575-T577 VanDerWaalsContact C-N 3.27Å; L575-T577 PolarHBondContact O-N 3.45Å; L575-R578 VanDerWaalsContact CD1-NH2 3.25Å; L575-R578 WeakPolarHBondContact O-CB 3.33Å; L575-R578 PolarHBondContact O-N 3.3Å; L575-R578 VanDerWaalsContact O-N 3.17Å; L575-E579 HydrophobicContact CD1-CG 3.88Å; L575-E579 HydrophobicContact CG-CG 4.37Å; L575-E579 WeakPolarHBondContact O-CG 3.4Å; L575-E579 PolarHBondContact O-N 3.28Å |
| 576 | I | 91.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -38 | -178.6 | -51.1 | 147.8 | 0 | 0 | 0 | 111 | I532 V572 L573 E579 A580 M592 V596 I640 I644 | I532-I576 HydrophobicContact CD1-CG1 4.45Å; V572-I576 HydrophobicContact CG1-CD1 3.77Å; V572-I576 HydrophobicContact CG1-CG1 4.43Å; V572-I576 VanDerWaalsContact O-CD1 3.26Å; V572-I576 WeakPolarHBondContact O-CD1 3.15Å; V572-I576 WeakPolarHBondContact O-CG1 2.96Å; V572-I576 PolarHBondContact O-N 2.98Å; L573-I576 PolarHBondContact O-N 3.24Å; I576-E579 PolarHBondContact O-N 3.43Å; I576-A580 WeakPolarHBondContact O-CB 3.35Å; I576-A580 PolarHBondContact O-N 2.95Å; I576-M592 HydrophobicContact CG2-CB 4.16Å; I576-M592 HydrophobicContact CG2-CE 4.25Å; I576-M592 HydrophobicContact CG2-CG 4.21Å; I576-M592 HydrophobicContact CG2-SD 4.38Å; I576-V596 HydrophobicContact CB-CG2 3.78Å; I576-V596 HydrophobicContact CD1-CG2 4.31Å; I576-V596 HydrophobicContact CG2-CG2 3.48Å; I576-V596 VanDerWaalsContact CG2-CG2 3.48Å; I576-I640 HydrophobicContact CD1-CB 4.29Å; I576-I640 HydrophobicContact CD1-CD1 3.47Å; I576-I640 VanDerWaalsContact CD1-CD1 3.47Å; I576-I640 HydrophobicContact CD1-CG1 3.8Å; I576-I640 HydrophobicContact CD1-CG2 3.53Å; I576-I640 HydrophobicContact CG1-CG2 3.71Å; I576-I644 HydrophobicContact CG1-CD1 4.07Å; I576-I644 HydrophobicContact CG2-CD1 4.46Å |
| 577 | T | 92.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 177.1 | -48.8 | 0 | 0 | 0 | 0 | 109.8 | L573 Q574 L575 E579 A580 D581 R600 | L573-T577 WeakPolarHBondContact O-CB 3.41Å; L573-T577 PolarHBondContact O-N 3.3Å; L573-T577 PolarHBondContact O-OG1 2.89Å; Q574-T577 PolarHBondContact O-N 3.38Å; L575-T577 VanDerWaalsContact C-N 3.27Å; L575-T577 PolarHBondContact O-N 3.45Å; T577-E579 PolarHBondContact O-N 3.17Å; T577-A580 PolarHBondContact O-N 2.84Å; T577-D581 VanDerWaalsContact O-CG 3.3Å; T577-D581 PolarHBondContact O-N 3.15Å; T577-R600 PolarHBondContact OG1-NH2 2.97Å |
| 578 | R | 89.4 | Confident | 91.5 | Very high | 75 Ų | 75 | 35.6 Ų | 35.6 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58 | -42.6 | 174.7 | -171.9 | -174.2 | 75.7 | -179.2 | 1.2 | 112.9 | D523 Q574 L575 N582 | D523-R578 PolarHBondContact O-NH1 2.9Å; D523-R578 PolarHBondContact O-NH2 2.9Å; Q574-R578 PolarHBondContact O-N 3.28Å; L575-R578 VanDerWaalsContact CD1-NH2 3.25Å; L575-R578 WeakPolarHBondContact O-CB 3.33Å; L575-R578 PolarHBondContact O-N 3.3Å; L575-R578 VanDerWaalsContact O-N 3.17Å; R578-N582 VanDerWaalsContact O-CB 3.3Å; R578-N582 WeakPolarHBondContact O-CB 3.44Å; R578-N582 PolarHBondContact O-N 3Å |
| 579 | E | 87.9 | Confident | 91.3 | Very high | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.5 | -25.6 | 179.9 | -63.4 | -58.8 | 138.9 | 0 | 0 | 112.9 | A528 L575 I576 T577 M592 R999 | A528-E579 HydrophobicContact CB-CG 4.34Å; L575-E579 HydrophobicContact CD1-CG 3.88Å; L575-E579 HydrophobicContact CG-CG 4.37Å; L575-E579 WeakPolarHBondContact O-CG 3.4Å; L575-E579 PolarHBondContact O-N 3.28Å; I576-E579 PolarHBondContact O-N 3.43Å; T577-E579 PolarHBondContact O-N 3.17Å; E579-M592 HydrophobicContact CB-CE 3.7Å; E579-M592 HydrophobicContact CB-SD 4.35Å; E579-R999 VanDerWaalsContact CD-NH2 3.27Å; E579-R999 IonicContact OE1-CZ 2.67Å; E579-R999 IonicContact OE1-NH1 3.81Å; E579-R999 PolarHBondContact OE1-NH1 2.88Å; E579-R999 IonicContact OE1-NH2 3.22Å; E579-R999 PolarHBondContact OE1-NH2 3.38Å; E579-R999 VanDerWaalsContact OE1-NH2 3.15Å; E579-R999 IonicContact OE2-CZ 2.62Å; E579-R999 IonicContact OE2-NH2 3.47Å; E579-R999 PolarHBondContact OE2-NH2 2.9Å |
| 580 | A | 91.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.6 | -47.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I576 T577 N582 S583 M592 | I576-A580 WeakPolarHBondContact O-CB 3.35Å; I576-A580 PolarHBondContact O-N 2.95Å; T577-A580 PolarHBondContact O-N 2.84Å; A580-N582 PolarHBondContact O-N 3.02Å; A580-S583 PolarHBondContact O-N 3.44Å; A580-M592 VanDerWaalsContact CA-SD 3.54Å; A580-M592 HydrophobicContact CB-CB 3.95Å; A580-M592 HydrophobicContact CB-SD 3.71Å; A580-M592 PolarHBondContact N-SD 3.46Å |
| 581 | D | 92.1 | Very high | 90.8 | Very high | 96 Ų | 96 | 44.8 Ų | 44.8 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.8 | -32.1 | 176.3 | -68 | -32.8 | 0 | 0 | 0 | 111.9 | T577 S583 R998 | T577-D581 VanDerWaalsContact O-CG 3.3Å; T577-D581 PolarHBondContact O-N 3.15Å; D581-S583 PolarHBondContact O-N 3.43Å; D581-R998 WeakPolarHBondContact O-CD 3.46Å; D581-R998 PolarHBondContact O-NE 2.88Å |
| 582 | N | 90.4 | Very high | 90.7 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.7 | 174.3 | -175.9 | 60.4 | 0 | 0 | 0 | 114.3 | R578 A580 D997 R998 R999 | R578-N582 VanDerWaalsContact O-CB 3.3Å; R578-N582 WeakPolarHBondContact O-CB 3.44Å; R578-N582 PolarHBondContact O-N 3Å; A580-N582 PolarHBondContact O-N 3.02Å; N582-D997 PolarHBondContact ND2-OD1 3.02Å; N582-D997 PolarHBondContact ND2-OD2 3.29Å; N582-D997 PolarHBondContact OD1-OD1 3.49Å; N582-R998 WeakPolarHBondContact O-CG 3.28Å; N582-R998 PolarHBondContact O-N 2.94Å; N582-R999 PolarHBondContact ND2-NE 3.13Å; N582-R999 PolarHBondContact ND2-NH2 3.35Å; N582-R999 WeakPolarHBondContact OD1-CG 3.46Å; N582-R999 PolarHBondContact OD1-N 2.99Å; N582-R999 PolarHBondContact OD1-NE 3.45Å |
| 583 | S | 90.8 | Very high | 90.7 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -109 | 151.2 | -174.6 | -167.5 | 0 | 0 | 0 | 0 | 113.8 | A580 D581 D585 Y588 T996 | A580-S583 PolarHBondContact O-N 3.44Å; D581-S583 PolarHBondContact O-N 3.43Å; S583-D585 PolarHBondContact OG-N 2.75Å; S583-Y588 WeakPolarHBondContact OG-CD1 3.44Å; S583-T996 CarbonylContact C-O 3.59Å; S583-T996 WeakPolarHBondContact CA-O 3.21Å |
| 584 | E | 90.4 | Very high | 90.7 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | trans | -120.5 | 11 | 170.7 | -67.1 | -176.7 | 176.8 | 0 | 0 | 113 | P586 T996 R998 R1001 R1085 | E584-P586 WeakPolarHBondContact O-CD 3.25Å; E584-T996 HydrophobicContact CB-CG2 4.5Å; E584-T996 PolarHBondContact N-O 3.13Å; E584-R998 IonicContact OE1-CZ 2.85Å; E584-R998 IonicContact OE1-NH1 3.63Å; E584-R998 PolarHBondContact OE1-NH1 3.49Å; E584-R998 IonicContact OE1-NH2 3.16Å; E584-R1001 IonicContact OE1-CZ 3.33Å; E584-R1001 IonicContact OE1-NH1 2.76Å; E584-R1001 PolarHBondContact OE1-NH1 3.43Å; E584-R1001 IonicContact OE1-NH2 2.68Å; E584-R1001 PolarHBondContact OE1-NH2 3.08Å; E584-R1001 IonicContact OE2-CZ 3.82Å; E584-R1001 IonicContact OE2-NH1 3.96Å; E584-R1001 PolarHBondContact OE2-NH1 3.22Å; E584-R1001 IonicContact OE2-NH2 2.75Å; E584-R1085 IonicContact OE2-CZ 3.9Å; E584-R1085 IonicContact OE2-NH2 3.6Å; E584-R1085 PolarHBondContact OE2-NH2 3.49Å | ||
| 585 | D | 89 | Confident | 90.7 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | trans | -82.9 | 110.7 | 165.3 | 170.4 | 19.9 | 0 | 0 | 0 | 109.2 | S583 L587 Y588 V589 T996 | S583-D585 PolarHBondContact OG-N 2.75Å; D585-L587 PolarHBondContact O-N 2.68Å; D585-L587 PolarHBondContact OD1-N 3.01Å; D585-Y588 PolarHBondContact O-N 2.92Å; D585-Y588 WeakPolarHBondContact OD2-CB 3.44Å; D585-Y588 PolarHBondContact OD2-N 2.84Å; D585-V589 WeakPolarHBondContact O-CB 3.39Å; D585-V589 WeakPolarHBondContact O-CG2 3.29Å; D585-V589 PolarHBondContact O-N 2.79Å; D585-T996 HydrophobicContact CB-CG2 4.27Å | ||
| 586 | P | 88 | Confident | 90.9 | Very high | 86 Ų | 86 | 47.1 Ų | 47.1 | 56% | 0.558 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -58.5 | -37.6 | -178.6 | -22.1 | 34.2 | 0 | 0 | 0 | 112.4 | E584 Y588 V589 D590 | E584-P586 WeakPolarHBondContact O-CD 3.25Å; P586-Y588 PolarHBondContact O-N 2.69Å; P586-V589 PolarHBondContact O-N 3.12Å; P586-D590 WeakPolarHBondContact O-CB 3.32Å; P586-D590 VanDerWaalsContact O-CG 3.27Å; P586-D590 PolarHBondContact O-N 3.05Å |
| 587 | L | 88.2 | Confident | 91.1 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.9 | -35.8 | -176.2 | -61.2 | 177.7 | 0 | 0 | 0 | 111.5 | D585 R591 | D585-L587 PolarHBondContact O-N 2.68Å; D585-L587 PolarHBondContact OD1-N 3.01Å; L587-R591 VanDerWaalsContact O-CG 3.29Å; L587-R591 WeakPolarHBondContact O-CG 3.33Å; L587-R591 PolarHBondContact O-N 3.02Å; L587-R591 PolarHBondContact O-NH1 2.83Å |
| 588 | Y | 88 | Confident | 91.2 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 173 | 179.2 | -99.6 | 0 | 0 | 0 | 111.7 | S583 D585 P586 D590 R591 M592 | S583-Y588 WeakPolarHBondContact OG-CD1 3.44Å; D585-Y588 PolarHBondContact O-N 2.92Å; D585-Y588 WeakPolarHBondContact OD2-CB 3.44Å; D585-Y588 PolarHBondContact OD2-N 2.84Å; P586-Y588 PolarHBondContact O-N 2.69Å; Y588-D590 PolarHBondContact O-N 3.04Å; Y588-R591 PolarHBondContact O-N 3.28Å; Y588-M592 HydrophobicContact CD1-CG 4.4Å; Y588-M592 HydrophobicContact CD1-SD 3.85Å; Y588-M592 HydrophobicContact CE1-CE 3.6Å; Y588-M592 HydrophobicContact CE1-CG 4.27Å; Y588-M592 HydrophobicContact CE1-SD 3.32Å; Y588-M592 WeakPolarHBondContact CE1-SD 3.35Å; Y588-M592 HydrophobicContact CE2-CE 4.17Å; Y588-M592 WeakPolarHBondContact O-CB 3.24Å; Y588-M592 WeakPolarHBondContact O-CG 3.46Å; Y588-M592 PolarHBondContact O-N 3.41Å; Y588-M592 WeakPolarHBondContact OH-CE 3.39Å |
| 589 | V | 91.5 | Very high | 91.5 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 177.6 | 171 | 0 | 0 | 0 | 0 | 111.4 | D585 P586 M592 N593 | D585-V589 WeakPolarHBondContact O-CB 3.39Å; D585-V589 WeakPolarHBondContact O-CG2 3.29Å; D585-V589 PolarHBondContact O-N 2.79Å; P586-V589 PolarHBondContact O-N 3.12Å; V589-M592 PolarHBondContact O-N 3.39Å; V589-N593 VanDerWaalsContact CG1-ND2 3.34Å; V589-N593 WeakPolarHBondContact CG1-ND2 3.49Å; V589-N593 WeakPolarHBondContact O-CB 3.42Å; V589-N593 PolarHBondContact O-N 3.35Å; V589-N593 PolarHBondContact O-ND2 3.5Å |
| 590 | D | 91.3 | Very high | 91.9 | Very high | 98 Ų | 98 | 54 Ų | 54 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 175.4 | -74.5 | -22.1 | 0 | 0 | 0 | 111.7 | P586 Y588 M592 N593 E594 | P586-D590 WeakPolarHBondContact O-CB 3.32Å; P586-D590 VanDerWaalsContact O-CG 3.27Å; P586-D590 PolarHBondContact O-N 3.05Å; Y588-D590 PolarHBondContact O-N 3.04Å; D590-M592 VanDerWaalsContact C-N 3.3Å; D590-M592 PolarHBondContact O-N 3.27Å; D590-N593 PolarHBondContact O-N 3.05Å; D590-E594 PolarHBondContact O-N 2.75Å |
| 591 | R | 91 | Very high | 92.1 | Very high | 109 Ų | 109 | 57.7 Ų | 57.7 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 175.5 | -73.6 | -171.6 | -51.1 | -87.4 | 8 | 112.1 | L587 Y588 A595 V643 | L587-R591 VanDerWaalsContact O-CG 3.29Å; L587-R591 WeakPolarHBondContact O-CG 3.33Å; L587-R591 PolarHBondContact O-N 3.02Å; L587-R591 PolarHBondContact O-NH1 2.83Å; Y588-R591 PolarHBondContact O-N 3.28Å; R591-A595 WeakPolarHBondContact O-CB 3.47Å; R591-A595 PolarHBondContact O-N 3.24Å; R591-A595 VanDerWaalsContact O-N 3.11Å; R591-V643 HydrophobicContact CB-CG1 3.87Å |
| 592 | M | 91 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 174.7 | -77.8 | -169.3 | 144.2 | 0 | 0 | 112.1 | I576 E579 A580 Y588 V589 D590 E594 A595 V596 V643 I644 | I576-M592 HydrophobicContact CG2-CB 4.16Å; I576-M592 HydrophobicContact CG2-CE 4.25Å; I576-M592 HydrophobicContact CG2-CG 4.21Å; I576-M592 HydrophobicContact CG2-SD 4.38Å; E579-M592 HydrophobicContact CB-CE 3.7Å; E579-M592 HydrophobicContact CB-SD 4.35Å; A580-M592 VanDerWaalsContact CA-SD 3.54Å; A580-M592 HydrophobicContact CB-CB 3.95Å; A580-M592 HydrophobicContact CB-SD 3.71Å; A580-M592 PolarHBondContact N-SD 3.46Å; Y588-M592 HydrophobicContact CD1-CG 4.4Å; Y588-M592 HydrophobicContact CD1-SD 3.85Å; Y588-M592 HydrophobicContact CE1-CE 3.6Å; Y588-M592 HydrophobicContact CE1-CG 4.27Å; Y588-M592 HydrophobicContact CE1-SD 3.32Å; Y588-M592 WeakPolarHBondContact CE1-SD 3.35Å; Y588-M592 HydrophobicContact CE2-CE 4.17Å; Y588-M592 WeakPolarHBondContact O-CB 3.24Å; Y588-M592 WeakPolarHBondContact O-CG 3.46Å; Y588-M592 PolarHBondContact O-N 3.41Å; Y588-M592 WeakPolarHBondContact OH-CE 3.39Å; V589-M592 PolarHBondContact O-N 3.39Å; D590-M592 VanDerWaalsContact C-N 3.3Å; D590-M592 PolarHBondContact O-N 3.27Å; M592-E594 PolarHBondContact O-N 2.8Å; M592-A595 PolarHBondContact O-N 2.8Å; M592-V596 WeakPolarHBondContact O-CB 3.34Å; M592-V596 VanDerWaalsContact O-CG2 3.31Å; M592-V596 WeakPolarHBondContact O-CG2 3.42Å; M592-V596 PolarHBondContact O-N 2.89Å; M592-V643 HydrophobicContact CG-CG1 4.01Å; M592-I644 HydrophobicContact CE-CD1 3.9Å; M592-I644 HydrophobicContact CE-CG1 3.62Å |
| 593 | N | 93.6 | Very high | 92.7 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | -179.6 | -81.7 | -47.3 | 0 | 0 | 0 | 112.5 | V589 D590 V596 K597 | V589-N593 VanDerWaalsContact CG1-ND2 3.34Å; V589-N593 WeakPolarHBondContact CG1-ND2 3.49Å; V589-N593 WeakPolarHBondContact O-CB 3.42Å; V589-N593 PolarHBondContact O-N 3.35Å; V589-N593 PolarHBondContact O-ND2 3.5Å; D590-N593 PolarHBondContact O-N 3.05Å; N593-V596 PolarHBondContact O-N 3.2Å; N593-K597 VanDerWaalsContact O-CG 3.23Å; N593-K597 WeakPolarHBondContact O-CG 3.35Å; N593-K597 PolarHBondContact O-N 3.37Å |
| 594 | E | 93.9 | Very high | 92.9 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66 | -40 | 171.7 | -67.5 | -49 | 127.6 | 0 | 0 | 112.3 | D590 M592 V596 K597 A598 | D590-E594 PolarHBondContact O-N 2.75Å; M592-E594 PolarHBondContact O-N 2.8Å; E594-V596 VanDerWaalsContact C-N 3.34Å; E594-V596 PolarHBondContact O-N 3.47Å; E594-K597 PolarHBondContact O-N 2.83Å; E594-K597 IonicContact OE1-NZ 3.98Å; E594-K597 PolarHBondContact OE1-NZ 3.23Å; E594-A598 WeakPolarHBondContact O-CB 3.43Å; E594-A598 PolarHBondContact O-N 2.92Å |
| 595 | A | 92.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 58 Ų | 58 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R591 M592 A598 L599 I640 V643 | R591-A595 WeakPolarHBondContact O-CB 3.47Å; R591-A595 PolarHBondContact O-N 3.24Å; R591-A595 VanDerWaalsContact O-N 3.11Å; M592-A595 PolarHBondContact O-N 2.8Å; A595-A598 PolarHBondContact O-N 3.1Å; A595-L599 PolarHBondContact O-N 2.75Å; A595-I640 HydrophobicContact CB-CG1 3.74Å; A595-V643 HydrophobicContact CB-CG2 4.45Å |
| 596 | V | 94.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 172.9 | 165.3 | 0 | 0 | 0 | 0 | 111.4 | L573 I576 M592 N593 E594 R600 | L573-V596 HydrophobicContact CD2-CB 4.47Å; L573-V596 HydrophobicContact CD2-CG1 4.15Å; I576-V596 HydrophobicContact CB-CG2 3.78Å; I576-V596 HydrophobicContact CD1-CG2 4.31Å; I576-V596 HydrophobicContact CG2-CG2 3.48Å; I576-V596 VanDerWaalsContact CG2-CG2 3.48Å; M592-V596 WeakPolarHBondContact O-CB 3.34Å; M592-V596 VanDerWaalsContact O-CG2 3.31Å; M592-V596 WeakPolarHBondContact O-CG2 3.42Å; M592-V596 PolarHBondContact O-N 2.89Å; N593-V596 PolarHBondContact O-N 3.2Å; E594-V596 VanDerWaalsContact C-N 3.34Å; E594-V596 PolarHBondContact O-N 3.47Å; V596-R600 HydrophobicContact CG1-CG 4.46Å; V596-R600 VanDerWaalsContact O-CB 3.32Å; V596-R600 WeakPolarHBondContact O-CB 3.48Å; V596-R600 VanDerWaalsContact O-CG 3.26Å; V596-R600 WeakPolarHBondContact O-CG 3.43Å; V596-R600 PolarHBondContact O-N 3.28Å |
| 597 | K | 95.1 | Very high | 94 | Very high | 116 Ų | 116 | 53.1 Ų | 53.1 | 50% | 0.504 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 174.1 | -70.9 | 165 | -166.9 | 173.6 | 0 | 111.1 | N593 E594 R600 S601 | N593-K597 VanDerWaalsContact O-CG 3.23Å; N593-K597 WeakPolarHBondContact O-CG 3.35Å; N593-K597 PolarHBondContact O-N 3.37Å; E594-K597 PolarHBondContact O-N 2.83Å; E594-K597 IonicContact OE1-NZ 3.98Å; E594-K597 PolarHBondContact OE1-NZ 3.23Å; K597-R600 PolarHBondContact O-N 2.78Å; K597-S601 PolarHBondContact O-N 3.1Å |
| 598 | A | 95.3 | Very high | 94.3 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.3 | -54.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E594 A595 R600 S601 | E594-A598 WeakPolarHBondContact O-CB 3.43Å; E594-A598 PolarHBondContact O-N 2.92Å; A595-A598 PolarHBondContact O-N 3.1Å; A598-R600 PolarHBondContact O-N 3.46Å; A598-S601 PolarHBondContact O-N 3.27Å; A598-S601 PolarHBondContact O-OG 2.96Å |
| 599 | L | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 178.5 | 176.5 | 57.9 | 0 | 0 | 0 | 112.1 | V572 L573 A595 S601 T602 I603 L633 A636 I637 I640 | V572-L599 HydrophobicContact CB-CD2 4.33Å; V572-L599 HydrophobicContact CG1-CD2 3.77Å; L573-L599 HydrophobicContact CD1-CG 4.45Å; L573-L599 HydrophobicContact CD2-CB 3.91Å; L573-L599 HydrophobicContact CD2-CD2 3.73Å; L573-L599 HydrophobicContact CD2-CG 3.83Å; L573-L599 HydrophobicContact CG-CD2 3.74Å; L573-L599 HydrophobicContact CG-CG 4Å; A595-L599 PolarHBondContact O-N 2.75Å; L599-S601 PolarHBondContact O-N 3.43Å; L599-T602 PolarHBondContact O-N 3.4Å; L599-T602 PolarHBondContact O-OG1 3.3Å; L599-I603 HydrophobicContact CD1-CG1 4.48Å; L599-L633 HydrophobicContact CD1-CD2 4.14Å; L599-L633 HydrophobicContact CD1-CG 4.14Å; L599-A636 HydrophobicContact CB-CB 4.25Å; L599-A636 HydrophobicContact CD1-CB 4.28Å; L599-I637 HydrophobicContact CD1-CD1 4.26Å; L599-I637 HydrophobicContact CD1-CG1 3.84Å; L599-I637 HydrophobicContact CD2-CG1 4.01Å; L599-I640 HydrophobicContact CB-CD1 3.64Å; L599-I640 HydrophobicContact CD2-CD1 3.42Å; L599-I640 VanDerWaalsContact CD2-CD1 3.42Å; L599-I640 HydrophobicContact CG-CD1 4.11Å |
| 600 | R | 96.3 | Very high | 94.8 | Very high | 118 Ų | 118 | 51.6 Ų | 51.6 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -53.4 | -40.5 | 176.4 | -77.3 | 176.1 | -167.9 | -88.9 | 2.3 | 112.2 | L573 T577 V596 K597 A598 T602 | L573-R600 HydrophobicContact CD1-CB 4.48Å; L573-R600 HydrophobicContact CD1-CG 3.48Å; L573-R600 VanDerWaalsContact CD1-CG 3.48Å; L573-R600 HydrophobicContact CD2-CG 3.74Å; L573-R600 HydrophobicContact CG-CG 4.27Å; T577-R600 PolarHBondContact OG1-NH2 2.97Å; V596-R600 HydrophobicContact CG1-CG 4.46Å; V596-R600 VanDerWaalsContact O-CB 3.32Å; V596-R600 WeakPolarHBondContact O-CB 3.48Å; V596-R600 VanDerWaalsContact O-CG 3.26Å; V596-R600 WeakPolarHBondContact O-CG 3.43Å; V596-R600 PolarHBondContact O-N 3.28Å; K597-R600 PolarHBondContact O-N 2.78Å; A598-R600 PolarHBondContact O-N 3.46Å; R600-T602 PolarHBondContact O-N 2.97Å |
| 601 | S | 96.3 | Very high | 94.9 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 56% | 0.559 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -67.7 | -19.1 | -180 | 74.1 | 0 | 0 | 0 | 0 | 114.8 | K597 A598 L599 P605 | K597-S601 PolarHBondContact O-N 3.1Å; A598-S601 PolarHBondContact O-N 3.27Å; A598-S601 PolarHBondContact O-OG 2.96Å; L599-S601 PolarHBondContact O-N 3.43Å; S601-P605 WeakPolarHBondContact O-CD 3.31Å; S601-P605 WeakPolarHBondContact O-CG 3.49Å |
| 602 | T | 97.1 | Very high | 94.9 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -90.8 | -22.6 | -179.5 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | L599 R600 M606 N632 L633 | L599-T602 PolarHBondContact O-N 3.4Å; L599-T602 PolarHBondContact O-OG1 3.3Å; R600-T602 PolarHBondContact O-N 2.97Å; T602-M606 PolarHBondContact O-N 3.36Å; T602-N632 HydrophobicContact CG2-CB 4.47Å; T602-L633 WeakPolarHBondContact OG1-CG 3.33Å |
| 603 | I | 96.3 | Very high | 94.9 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69 | -49.3 | -174.1 | -62.6 | 174 | 0 | 0 | 0 | 111.5 | A566 A569 L573 L599 M606 V607 L633 | A566-I603 HydrophobicContact CB-CG2 4.48Å; A569-I603 HydrophobicContact CB-CD1 3.66Å; A569-I603 HydrophobicContact CB-CG1 3.91Å; L573-I603 HydrophobicContact CD1-CD1 3.46Å; L573-I603 VanDerWaalsContact CD1-CD1 3.46Å; L573-I603 HydrophobicContact CG-CD1 4.45Å; L599-I603 HydrophobicContact CD1-CG1 4.48Å; I603-M606 PolarHBondContact O-N 2.85Å; I603-V607 HydrophobicContact CG2-CG2 4.44Å; I603-V607 WeakPolarHBondContact O-CG2 3.42Å; I603-V607 PolarHBondContact O-N 2.87Å; I603-L633 HydrophobicContact CG1-CD1 4.19Å |
| 604 | T | 95.7 | Very high | 94.8 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 55% | 0.546 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | -177.2 | -52.8 | 0 | 0 | 0 | 0 | 113.1 | V607 N608 | T604-V607 PolarHBondContact O-N 2.55Å; T604-N608 WeakPolarHBondContact O-CB 3.44Å; T604-N608 VanDerWaalsContact O-CG 3.3Å; T604-N608 PolarHBondContact O-N 3.01Å; T604-N608 PolarHBondContact O-ND2 3.44Å |
| 605 | P | 96.8 | Very high | 94.7 | Very high | 58 Ų | 58 | 46 Ų | 46 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.8 | -49.5 | 168.8 | -28.4 | 36.5 | 0 | 0 | 0 | 113.1 | S601 V607 N608 D609 | S601-P605 WeakPolarHBondContact O-CD 3.31Å; S601-P605 WeakPolarHBondContact O-CG 3.49Å; P605-V607 VanDerWaalsContact C-N 3.34Å; P605-V607 PolarHBondContact O-N 3.03Å; P605-N608 PolarHBondContact O-N 3.39Å; P605-D609 WeakPolarHBondContact O-CB 3.31Å; P605-D609 PolarHBondContact O-N 3.47Å |
| 606 | M | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | -178.6 | -175 | -77.5 | -63.3 | 0 | 0 | 112.8 | T562 I565 A566 T602 I603 A610 S629 N630 L633 | T562-M606 HydrophobicContact CG2-SD 4.41Å; I565-M606 HydrophobicContact CB-CE 4.17Å; I565-M606 HydrophobicContact CG2-CE 3.79Å; A566-M606 HydrophobicContact CB-CE 4.08Å; T602-M606 PolarHBondContact O-N 3.36Å; I603-M606 PolarHBondContact O-N 2.85Å; M606-A610 VanDerWaalsContact O-CB 3.3Å; M606-A610 WeakPolarHBondContact O-CB 3.48Å; M606-A610 PolarHBondContact O-N 3.28Å; M606-S629 WeakPolarHBondContact CA-OG 3.32Å; M606-N630 HydrophobicContact CG-CB 4.34Å; M606-L633 HydrophobicContact CB-CD1 3.9Å; M606-L633 HydrophobicContact CE-CD1 3.86Å; M606-L633 HydrophobicContact CG-CD1 4.05Å |
| 607 | V | 96.1 | Very high | 94.5 | Very high | 24 Ų | 24 | 50 Ų | 50 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.1 | -34.2 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | A566 I603 T604 P605 K611 V725 | A566-V607 HydrophobicContact CB-CG2 3.91Å; I603-V607 HydrophobicContact CG2-CG2 4.44Å; I603-V607 WeakPolarHBondContact O-CG2 3.42Å; I603-V607 PolarHBondContact O-N 2.87Å; T604-V607 PolarHBondContact O-N 2.55Å; P605-V607 VanDerWaalsContact C-N 3.34Å; P605-V607 PolarHBondContact O-N 3.03Å; V607-K611 WeakPolarHBondContact O-CG 3.37Å; V607-K611 PolarHBondContact O-N 3.42Å; V607-K611 VanDerWaalsContact O-N 3.11Å; V607-V725 HydrophobicContact CG1-CG1 4.3Å |
| 608 | N | 95.3 | Very high | 94.2 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -75.1 | -38.8 | 177.3 | -73.2 | -16.2 | 0 | 0 | 0 | 112.3 | T604 P605 A610 K611 G612 | T604-N608 WeakPolarHBondContact O-CB 3.44Å; T604-N608 VanDerWaalsContact O-CG 3.3Å; T604-N608 PolarHBondContact O-N 3.01Å; T604-N608 PolarHBondContact O-ND2 3.44Å; P605-N608 PolarHBondContact O-N 3.39Å; N608-A610 VanDerWaalsContact C-N 3.31Å; N608-K611 WeakPolarHBondContact O-CB 3.47Å; N608-K611 PolarHBondContact O-N 2.86Å; N608-G612 PolarHBondContact O-N 2.95Å |
| 609 | D | 95 | Very high | 94 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 174.3 | -67.2 | -23.7 | 0 | 0 | 0 | 110.9 | P605 G612 L613 Q625 W626 S629 | P605-D609 WeakPolarHBondContact O-CB 3.31Å; P605-D609 PolarHBondContact O-N 3.47Å; D609-G612 PolarHBondContact O-N 3.25Å; D609-L613 WeakPolarHBondContact O-CB 3.4Å; D609-L613 PolarHBondContact O-N 2.93Å; D609-Q625 HydrophobicContact CB-CG 4.39Å; D609-Q625 PolarHBondContact OD1-NE2 3.35Å; D609-W626 HydrophobicContact CB-CB 4.29Å; D609-S629 VanDerWaalsContact OD2-CB 3.23Å; D609-S629 WeakPolarHBondContact OD2-CB 3.45Å |
| 610 | A | 94.3 | Very high | 93.8 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | T562 M606 N608 L613 V614 | T562-A610 HydrophobicContact CG2-CB 3.78Å; M606-A610 VanDerWaalsContact O-CB 3.3Å; M606-A610 WeakPolarHBondContact O-CB 3.48Å; M606-A610 PolarHBondContact O-N 3.28Å; N608-A610 VanDerWaalsContact C-N 3.31Å; A610-L613 WeakPolarHBondContact O-CB 3.49Å; A610-L613 PolarHBondContact O-N 3.31Å; A610-V614 VanDerWaalsContact O-CG2 3.3Å; A610-V614 WeakPolarHBondContact O-CG2 3.17Å; A610-V614 PolarHBondContact O-N 2.93Å |
| 611 | K | 93.6 | Very high | 93.6 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 171.4 | -71.1 | 168.2 | -177.9 | 177.8 | 0 | 111.5 | V607 N608 V614 T615 | V607-K611 WeakPolarHBondContact O-CG 3.37Å; V607-K611 PolarHBondContact O-N 3.42Å; V607-K611 VanDerWaalsContact O-N 3.11Å; N608-K611 WeakPolarHBondContact O-CB 3.47Å; N608-K611 PolarHBondContact O-N 2.86Å; K611-V614 PolarHBondContact O-N 3.4Å; K611-T615 WeakPolarHBondContact O-CG2 3.27Å; K611-T615 PolarHBondContact O-N 3.44Å; K611-T615 VanDerWaalsContact O-N 3.1Å |
| 612 | G | 91.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 53.9 Ų | 53.9 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -50.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | N608 D609 V614 T615 N616 | N608-G612 PolarHBondContact O-N 2.95Å; D609-G612 PolarHBondContact O-N 3.25Å; G612-V614 VanDerWaalsContact C-N 3.31Å; G612-V614 PolarHBondContact O-N 3.15Å; G612-T615 PolarHBondContact O-N 3.29Å; G612-T615 PolarHBondContact O-OG1 3.5Å; G612-N616 PolarHBondContact O-N 3.03Å; G612-N616 VanDerWaalsContact O-N 3.08Å |
| 613 | L | 91.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.9 | -39.9 | 174.4 | -179 | 66 | 0 | 0 | 0 | 112.9 | I550 V558 D609 A610 N616 I617 M622 W626 | I550-L613 HydrophobicContact CD1-CD1 4.2Å; I550-L613 HydrophobicContact CD1-CD2 3.66Å; I550-L613 HydrophobicContact CG1-CD1 4.17Å; I550-L613 HydrophobicContact CG1-CD2 3.82Å; I550-L613 HydrophobicContact CG1-CG 4.38Å; V558-L613 HydrophobicContact CG1-CD2 3.62Å; V558-L613 HydrophobicContact CG1-CG 4.1Å; V558-L613 HydrophobicContact CG2-CD2 4.34Å; D609-L613 WeakPolarHBondContact O-CB 3.4Å; D609-L613 PolarHBondContact O-N 2.93Å; A610-L613 WeakPolarHBondContact O-CB 3.49Å; A610-L613 PolarHBondContact O-N 3.31Å; L613-N616 CarbonylContact O-C 3.5Å; L613-I617 WeakPolarHBondContact O-CA 3.47Å; L613-I617 WeakPolarHBondContact O-CB 3.41Å; L613-I617 PolarHBondContact O-N 3.44Å; L613-M622 HydrophobicContact CD1-CB 4.29Å; L613-W626 HydrophobicContact CD2-CB 4.24Å; L613-W626 HydrophobicContact CD2-CD2 4.32Å; L613-W626 HydrophobicContact CD2-CG 4.11Å |
| 614 | V | 91.6 | Very high | 93 | Very high | 38 Ų | 38 | 58 Ų | 58 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.6 | -34 | 175.5 | 167 | 0 | 0 | 0 | 0 | 112.6 | T555 V558 V559 A610 K611 G612 | T555-V614 HydrophobicContact CG2-CG1 4.47Å; V558-V614 HydrophobicContact CB-CG2 4.19Å; V558-V614 HydrophobicContact CG1-CG2 3.75Å; V559-V614 HydrophobicContact CG2-CG1 4.4Å; V559-V614 HydrophobicContact CG2-CG2 3.62Å; A610-V614 VanDerWaalsContact O-CG2 3.3Å; A610-V614 WeakPolarHBondContact O-CG2 3.17Å; A610-V614 PolarHBondContact O-N 2.93Å; K611-V614 PolarHBondContact O-N 3.4Å; G612-V614 VanDerWaalsContact C-N 3.31Å; G612-V614 PolarHBondContact O-N 3.15Å |
| 615 | T | 91.7 | Very high | 93 | Very high | 101 Ų | 101 | 58.2 Ų | 58.2 | 62% | 0.62 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -77.6 | -26.6 | 177.9 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | K611 G612 | K611-T615 WeakPolarHBondContact O-CG2 3.27Å; K611-T615 PolarHBondContact O-N 3.44Å; K611-T615 VanDerWaalsContact O-N 3.1Å; G612-T615 PolarHBondContact O-N 3.29Å; G612-T615 PolarHBondContact O-OG1 3.5Å |
| 616 | N | 91.5 | Very high | 92.9 | Very high | 91 Ų | 91 | 55.5 Ų | 55.5 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | trans | -141.9 | 61.9 | -176 | -68 | -88.5 | 0 | 0 | 0 | 109.9 | G612 L613 D618 D619 M622 | G612-N616 PolarHBondContact O-N 3.03Å; G612-N616 VanDerWaalsContact O-N 3.08Å; L613-N616 CarbonylContact O-C 3.5Å; N616-D618 PolarHBondContact O-N 3.29Å; N616-D619 HydrophobicContact CB-CB 4.4Å; N616-D619 PolarHBondContact O-N 3.05Å; N616-D619 VanDerWaalsContact O-N 3.08Å; N616-M622 HydrophobicContact CB-CG 4.23Å | ||
| 617 | I | 90.1 | Very high | 92.9 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 8% | 0.077 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.2 | -173 | -169.2 | 158.9 | 0 | 0 | 0 | 113.5 | I553 T555 V558 L613 H623 | I553-I617 HydrophobicContact CG2-CD1 4.44Å; I553-I617 HydrophobicContact CG2-CG1 4.4Å; I553-I617 HydrophobicContact CG2-CG2 3.6Å; T555-I617 HydrophobicContact CG2-CB 4.48Å; T555-I617 HydrophobicContact CG2-CD1 4.01Å; T555-I617 HydrophobicContact CG2-CG2 4.33Å; V558-I617 HydrophobicContact CG2-CD1 4.24Å; L613-I617 WeakPolarHBondContact O-CA 3.47Å; L613-I617 WeakPolarHBondContact O-CB 3.41Å; L613-I617 PolarHBondContact O-N 3.44Å; I617-H623 PolarHBondContact O-NE2 3.24Å |
| 618 | D | 88.9 | Confident | 92.9 | Very high | 123 Ų | 123 | 62.5 Ų | 62.5 | 66% | 0.658 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -11.6 | 175.5 | -55.3 | -66 | 0 | 0 | 0 | 114.4 | N616 P620 | N616-D618 PolarHBondContact O-N 3.29Å; D618-P620 WeakPolarHBondContact O-CD 3.27Å |
| 619 | D | 91.8 | Very high | 93 | Very high | 48 Ų | 48 | 59 Ų | 59 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | trans | -84.6 | 111.2 | -178 | -176.2 | 2.6 | 0 | 0 | 0 | 111.7 | N616 K621 M622 H623 | N616-D619 HydrophobicContact CB-CB 4.4Å; N616-D619 PolarHBondContact O-N 3.05Å; N616-D619 VanDerWaalsContact O-N 3.08Å; D619-K621 PolarHBondContact O-N 3.49Å; D619-K621 VanDerWaalsContact OD1-CB 3.3Å; D619-K621 WeakPolarHBondContact OD1-CB 3.48Å; D619-K621 WeakPolarHBondContact OD1-CG 3.14Å; D619-K621 PolarHBondContact OD1-N 3.03Å; D619-M622 HydrophobicContact CB-CB 4.47Å; D619-M622 HydrophobicContact CB-CG 3.97Å; D619-M622 WeakPolarHBondContact O-CB 3.1Å; D619-M622 PolarHBondContact O-N 3.38Å; D619-H623 PolarHBondContact O-CD2 3.37Å; D619-H623 VanDerWaalsContact O-CD2 3.22Å; D619-H623 PolarHBondContact O-N 2.94Å | ||
| 620 | P | 91.2 | Very high | 93.1 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.7 | -13.7 | 177.8 | 28 | -36.4 | 0 | 0 | 0 | 113.5 | D618 N624 | D618-P620 WeakPolarHBondContact O-CD 3.27Å; P620-N624 PolarHBondContact O-N 3.06Å; P620-N624 PolarHBondContact O-ND2 3.4Å |
| 621 | K | 92.5 | Very high | 93.2 | Very high | 150 Ų | 150 | 65 Ų | 65 | 65% | 0.652 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.3 | -43.7 | 169.3 | -60.5 | 169.4 | -173 | 164.5 | 0 | 111.2 | D619 H623 N624 Q625 | D619-K621 PolarHBondContact O-N 3.49Å; D619-K621 VanDerWaalsContact OD1-CB 3.3Å; D619-K621 WeakPolarHBondContact OD1-CB 3.48Å; D619-K621 WeakPolarHBondContact OD1-CG 3.14Å; D619-K621 PolarHBondContact OD1-N 3.03Å; K621-H623 VanDerWaalsContact C-N 3.31Å; K621-H623 PolarHBondContact O-N 2.9Å; K621-N624 PolarHBondContact O-N 3.37Å; K621-Q625 WeakPolarHBondContact O-CB 3.34Å; K621-Q625 PolarHBondContact O-N 3.28Å |
| 622 | M | 90.9 | Very high | 93.3 | Very high | 43 Ų | 43 | 63.8 Ų | 63.8 | 21% | 0.212 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 177.1 | -62.4 | -59.8 | 112.3 | 0 | 0 | 110.8 | L613 N616 D619 N624 Q625 W626 | L613-M622 HydrophobicContact CD1-CB 4.29Å; N616-M622 HydrophobicContact CB-CG 4.23Å; D619-M622 HydrophobicContact CB-CB 4.47Å; D619-M622 HydrophobicContact CB-CG 3.97Å; D619-M622 WeakPolarHBondContact O-CB 3.1Å; D619-M622 PolarHBondContact O-N 3.38Å; M622-N624 PolarHBondContact O-N 3.49Å; M622-Q625 PolarHBondContact O-N 3.37Å; M622-W626 PolarHBondContact O-N 3.46Å |
| 623 | H | 93 | Very high | 93.6 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.2 | -50.7 | 173.9 | -57.5 | -173.1 | 0 | 0 | 0 | 111.1 | I550 I617 D619 K621 W626 R627 | I550-H623 WeakPolarHBondContact CG2-CE1 3.49Å; I550-H623 WeakPolarHBondContact CG2-NE2 3.48Å; I617-H623 PolarHBondContact O-NE2 3.24Å; D619-H623 PolarHBondContact O-CD2 3.37Å; D619-H623 VanDerWaalsContact O-CD2 3.22Å; D619-H623 PolarHBondContact O-N 2.94Å; K621-H623 VanDerWaalsContact C-N 3.31Å; K621-H623 PolarHBondContact O-N 2.9Å; H623-W626 PolarHBondContact O-N 2.78Å; H623-R627 WeakPolarHBondContact O-CB 3.32Å; H623-R627 VanDerWaalsContact O-CG 3.26Å; H623-R627 WeakPolarHBondContact O-CG 3.48Å; H623-R627 PolarHBondContact O-N 3.25Å |
| 624 | N | 93.8 | Very high | 93.8 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.3 | -30.4 | -174.8 | -70.7 | -41.7 | 0 | 0 | 0 | 113 | P620 K621 M622 R627 L628 | P620-N624 PolarHBondContact O-N 3.06Å; P620-N624 PolarHBondContact O-ND2 3.4Å; K621-N624 PolarHBondContact O-N 3.37Å; M622-N624 PolarHBondContact O-N 3.49Å; N624-R627 PolarHBondContact OD1-NH1 3.2Å; N624-R627 VanDerWaalsContact OD1-NH1 3.08Å; N624-L628 WeakPolarHBondContact O-CB 3.45Å; N624-L628 PolarHBondContact O-N 3.47Å |
| 625 | Q | 94.7 | Very high | 94 | Very high | 93 Ų | 93 | 65.9 Ų | 65.9 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -50 | 170.9 | -177.9 | 169 | -30.6 | 0 | 0 | 110.8 | D609 K621 M622 R627 L628 S629 | D609-Q625 HydrophobicContact CB-CG 4.39Å; D609-Q625 PolarHBondContact OD1-NE2 3.35Å; K621-Q625 WeakPolarHBondContact O-CB 3.34Å; K621-Q625 PolarHBondContact O-N 3.28Å; M622-Q625 PolarHBondContact O-N 3.37Å; Q625-R627 PolarHBondContact O-N 3.34Å; Q625-L628 PolarHBondContact O-N 3.39Å; Q625-S629 PolarHBondContact O-N 2.95Å |
| 626 | W | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -47 | 174.9 | 177.1 | 77.1 | 0 | 0 | 0 | 112 | T546 E547 I550 T562 I565 D609 L613 M622 H623 L628 S629 N630 | T546-W626 VanDerWaalsContact CB-CH2 3.47Å; T546-W626 HydrophobicContact CG2-CD2 4.37Å; T546-W626 HydrophobicContact CG2-CE3 4.3Å; T546-W626 HydrophobicContact CG2-CH2 3.56Å; T546-W626 HydrophobicContact CG2-CZ2 3.62Å; T546-W626 HydrophobicContact CG2-CZ3 3.91Å; E547-W626 HydrophobicContact CG-CZ3 4.41Å; I550-W626 HydrophobicContact CD1-CE3 4.19Å; I550-W626 HydrophobicContact CD1-CZ3 4.41Å; T562-W626 HydrophobicContact CG2-CZ2 3.94Å; I565-W626 HydrophobicContact CD1-CZ2 4.07Å; D609-W626 HydrophobicContact CB-CB 4.29Å; L613-W626 HydrophobicContact CD2-CB 4.24Å; L613-W626 HydrophobicContact CD2-CD2 4.32Å; L613-W626 HydrophobicContact CD2-CG 4.11Å; M622-W626 PolarHBondContact O-N 3.46Å; H623-W626 PolarHBondContact O-N 2.78Å; W626-L628 VanDerWaalsContact C-N 3.27Å; W626-L628 PolarHBondContact O-N 2.94Å; W626-S629 PolarHBondContact O-N 3.07Å; W626-S629 VanDerWaalsContact O-N 3.1Å; W626-S629 PolarHBondContact O-OG 3.47Å; W626-N630 HydrophobicContact CH2-CB 4.31Å; W626-N630 VanDerWaalsContact CH2-ND2 3.3Å; W626-N630 WeakPolarHBondContact CH2-ND2 3.4Å; W626-N630 HydrophobicContact CZ2-CB 3.96Å; W626-N630 WeakPolarHBondContact CZ2-ND2 3.4Å; W626-N630 WeakPolarHBondContact O-CB 3.34Å; W626-N630 PolarHBondContact O-N 3.39Å |
| 627 | R | 95.9 | Very high | 94.3 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 32% | 0.317 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.7 | -41.5 | 174.9 | -76.8 | 171 | -171.8 | 133.9 | 9.7 | 112.8 | E547 H623 N624 Q625 R631 | E547-R627 WeakPolarHBondContact OE1-CD 3.33Å; E547-R627 WeakPolarHBondContact OE1-CG 3.35Å; E547-R627 IonicContact OE1-CZ 2.68Å; E547-R627 IonicContact OE1-NE 3.16Å; E547-R627 PolarHBondContact OE1-NE 2.86Å; E547-R627 IonicContact OE1-NH2 2.69Å; E547-R627 IonicContact OE2-CZ 3.79Å; E547-R627 IonicContact OE2-NE 3.33Å; E547-R627 PolarHBondContact OE2-NE 3.27Å; E547-R627 IonicContact OE2-NH2 2.74Å; E547-R627 PolarHBondContact OE2-NH2 2.96Å; H623-R627 WeakPolarHBondContact O-CB 3.32Å; H623-R627 VanDerWaalsContact O-CG 3.26Å; H623-R627 WeakPolarHBondContact O-CG 3.48Å; H623-R627 PolarHBondContact O-N 3.25Å; N624-R627 PolarHBondContact OD1-NH1 3.2Å; N624-R627 VanDerWaalsContact OD1-NH1 3.08Å; Q625-R627 PolarHBondContact O-N 3.34Å; R627-R631 VanDerWaalsContact O-CB 3.29Å; R627-R631 WeakPolarHBondContact O-CB 3.41Å; R627-R631 PolarHBondContact O-N 3.24Å |
| 628 | L | 96.8 | Very high | 94.4 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 177.1 | -178.8 | 59.7 | 0 | 0 | 0 | 111.5 | N624 Q625 W626 N630 R631 N632 | N624-L628 WeakPolarHBondContact O-CB 3.45Å; N624-L628 PolarHBondContact O-N 3.47Å; Q625-L628 PolarHBondContact O-N 3.39Å; W626-L628 VanDerWaalsContact C-N 3.27Å; W626-L628 PolarHBondContact O-N 2.94Å; L628-N630 PolarHBondContact O-N 3.03Å; L628-R631 PolarHBondContact O-N 2.9Å; L628-N632 PolarHBondContact O-N 3.27Å; L628-N632 PolarHBondContact O-ND2 3.43Å; L628-N632 PolarHBondContact O-OD1 3.08Å |
| 629 | S | 97 | Very high | 94.4 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 178 | 78 | 0 | 0 | 0 | 0 | 112.4 | M606 D609 Q625 W626 N632 L633 | M606-S629 WeakPolarHBondContact CA-OG 3.32Å; D609-S629 VanDerWaalsContact OD2-CB 3.23Å; D609-S629 WeakPolarHBondContact OD2-CB 3.45Å; Q625-S629 PolarHBondContact O-N 2.95Å; W626-S629 PolarHBondContact O-N 3.07Å; W626-S629 VanDerWaalsContact O-N 3.1Å; W626-S629 PolarHBondContact O-OG 3.47Å; S629-N632 PolarHBondContact O-N 3.08Å; S629-L633 PolarHBondContact O-N 3.15Å |
| 630 | N | 96.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 179.5 | -172.1 | 28.1 | 0 | 0 | 0 | 111.4 | S543 M606 W626 L628 N632 L633 L634 | S543-N630 WeakPolarHBondContact CB-ND2 3.44Å; S543-N630 PolarHBondContact OG-ND2 2.98Å; M606-N630 HydrophobicContact CG-CB 4.34Å; W626-N630 HydrophobicContact CH2-CB 4.31Å; W626-N630 VanDerWaalsContact CH2-ND2 3.3Å; W626-N630 WeakPolarHBondContact CH2-ND2 3.4Å; W626-N630 HydrophobicContact CZ2-CB 3.96Å; W626-N630 WeakPolarHBondContact CZ2-ND2 3.4Å; W626-N630 WeakPolarHBondContact O-CB 3.34Å; W626-N630 PolarHBondContact O-N 3.39Å; L628-N630 PolarHBondContact O-N 3.03Å; N630-N632 VanDerWaalsContact C-N 3.32Å; N630-N632 PolarHBondContact O-N 3.1Å; N630-L633 WeakPolarHBondContact O-CB 3.38Å; N630-L633 PolarHBondContact O-N 3.38Å; N630-L634 WeakPolarHBondContact O-CG 3.24Å; N630-L634 PolarHBondContact O-N 2.95Å |
| 631 | R | 96.8 | Very high | 94.2 | Very high | 156 Ų | 156 | 52.8 Ų | 52.8 | 59% | 0.589 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.3 | -36.7 | 174.5 | -169.9 | 176.2 | 66.5 | 97.7 | 4.9 | 112.4 | R627 L628 T635 | R627-R631 VanDerWaalsContact O-CB 3.29Å; R627-R631 WeakPolarHBondContact O-CB 3.41Å; R627-R631 PolarHBondContact O-N 3.24Å; L628-R631 PolarHBondContact O-N 2.9Å; R631-T635 WeakPolarHBondContact O-CB 3.45Å; R631-T635 PolarHBondContact O-N 3.43Å; R631-T635 PolarHBondContact O-OG1 3.15Å |
| 632 | N | 96.7 | Very high | 93.9 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 174.5 | -65.9 | -15.2 | 0 | 0 | 0 | 111.2 | T602 L628 S629 N630 T635 A636 | T602-N632 HydrophobicContact CG2-CB 4.47Å; L628-N632 PolarHBondContact O-N 3.27Å; L628-N632 PolarHBondContact O-ND2 3.43Å; L628-N632 PolarHBondContact O-OD1 3.08Å; S629-N632 PolarHBondContact O-N 3.08Å; N630-N632 VanDerWaalsContact C-N 3.32Å; N630-N632 PolarHBondContact O-N 3.1Å; N632-T635 WeakPolarHBondContact O-CB 3.43Å; N632-T635 PolarHBondContact O-N 3.48Å; N632-A636 PolarHBondContact O-N 3.04Å |
| 633 | L | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 177 | -168.1 | 162.7 | 0 | 0 | 0 | 111.8 | M539 A569 L599 T602 I603 M606 S629 N630 T635 A636 I637 | M539-L633 HydrophobicContact CE-CD2 3.31Å; A569-L633 HydrophobicContact CB-CD2 4.2Å; L599-L633 HydrophobicContact CD1-CD2 4.14Å; L599-L633 HydrophobicContact CD1-CG 4.14Å; T602-L633 WeakPolarHBondContact OG1-CG 3.33Å; I603-L633 HydrophobicContact CG1-CD1 4.19Å; M606-L633 HydrophobicContact CB-CD1 3.9Å; M606-L633 HydrophobicContact CE-CD1 3.86Å; M606-L633 HydrophobicContact CG-CD1 4.05Å; S629-L633 PolarHBondContact O-N 3.15Å; N630-L633 WeakPolarHBondContact O-CB 3.38Å; N630-L633 PolarHBondContact O-N 3.38Å; L633-T635 VanDerWaalsContact C-N 3.3Å; L633-T635 PolarHBondContact O-N 2.77Å; L633-A636 WeakPolarHBondContact O-CB 3.27Å; L633-A636 PolarHBondContact O-N 3.41Å; L633-I637 HydrophobicContact CD2-CD1 3.85Å; L633-I637 PolarHBondContact O-N 3.14Å |
| 634 | L | 95.7 | Very high | 93.1 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 15% | 0.152 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61 | -37.4 | 174.4 | -69.6 | 167 | 0 | 0 | 0 | 112.1 | M539 L540 N630 A636 I637 N638 | M539-L634 HydrophobicContact CB-CD2 4.02Å; L540-L634 HydrophobicContact CD2-CD1 3.85Å; L540-L634 HydrophobicContact CD2-CD2 4.25Å; L540-L634 HydrophobicContact CG-CD2 4.41Å; N630-L634 WeakPolarHBondContact O-CG 3.24Å; N630-L634 PolarHBondContact O-N 2.95Å; L634-A636 PolarHBondContact O-N 3.4Å; L634-I637 PolarHBondContact O-N 2.76Å; L634-N638 PolarHBondContact O-N 3.02Å |
| 635 | T | 95.5 | Very high | 92.2 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | R631 N632 L633 I637 N638 S639 | R631-T635 WeakPolarHBondContact O-CB 3.45Å; R631-T635 PolarHBondContact O-N 3.43Å; R631-T635 PolarHBondContact O-OG1 3.15Å; N632-T635 WeakPolarHBondContact O-CB 3.43Å; N632-T635 PolarHBondContact O-N 3.48Å; L633-T635 VanDerWaalsContact C-N 3.3Å; L633-T635 PolarHBondContact O-N 2.77Å; T635-I637 VanDerWaalsContact C-N 3.33Å; T635-I637 PolarHBondContact O-N 2.89Å; T635-N638 PolarHBondContact O-N 3.49Å; T635-S639 PolarHBondContact O-N 3.45Å; T635-S639 PolarHBondContact O-OG 2.9Å |
| 636 | A | 95.4 | Very high | 90.5 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L599 N632 L633 L634 S639 I640 | L599-A636 HydrophobicContact CB-CB 4.25Å; L599-A636 HydrophobicContact CD1-CB 4.28Å; N632-A636 PolarHBondContact O-N 3.04Å; L633-A636 WeakPolarHBondContact O-CB 3.27Å; L633-A636 PolarHBondContact O-N 3.41Å; L634-A636 PolarHBondContact O-N 3.4Å; A636-S639 WeakPolarHBondContact O-CB 3.32Å; A636-S639 PolarHBondContact O-N 3.28Å; A636-I640 WeakPolarHBondContact O-CD1 3.44Å; A636-I640 WeakPolarHBondContact O-CG1 3.39Å; A636-I640 PolarHBondContact O-N 3.03Å |
| 637 | I | 94.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 176.1 | -67.6 | 176.2 | 0 | 0 | 0 | 111.5 | I532 E536 M539 L599 L633 L634 T635 S639 I640 K641 | I532-I637 HydrophobicContact CG2-CG2 4.18Å; E536-I637 HydrophobicContact CB-CG2 4.06Å; E536-I637 HydrophobicContact CG-CG2 4.22Å; M539-I637 HydrophobicContact CE-CD1 3.36Å; M539-I637 HydrophobicContact SD-CD1 3.43Å; M539-I637 WeakPolarHBondContact SD-CD1 3.41Å; L599-I637 HydrophobicContact CD1-CD1 4.26Å; L599-I637 HydrophobicContact CD1-CG1 3.84Å; L599-I637 HydrophobicContact CD2-CG1 4.01Å; L633-I637 HydrophobicContact CD2-CD1 3.85Å; L633-I637 PolarHBondContact O-N 3.14Å; L634-I637 PolarHBondContact O-N 2.76Å; T635-I637 VanDerWaalsContact C-N 3.33Å; T635-I637 PolarHBondContact O-N 2.89Å; I637-S639 VanDerWaalsContact C-N 3.26Å; I637-S639 PolarHBondContact O-N 3.39Å; I637-I640 WeakPolarHBondContact O-CB 3.29Å; I637-I640 PolarHBondContact O-N 3.26Å; I637-K641 PolarHBondContact O-N 2.92Å |
| 638 | N | 90.8 | Very high | 85.7 | Confident | 63 Ų | 63 | 56 Ų | 56 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.3 | -28.5 | 174.9 | -174 | 52.8 | 0 | 0 | 0 | 112.6 | L634 T635 K641 Q642 | L634-N638 PolarHBondContact O-N 3.02Å; T635-N638 PolarHBondContact O-N 3.49Å; N638-K641 WeakPolarHBondContact OD1-CE 3.35Å; N638-K641 PolarHBondContact OD1-NZ 3.14Å; N638-Q642 PolarHBondContact ND2-NE2 3.38Å; N638-Q642 WeakPolarHBondContact O-CG 3.32Å; N638-Q642 PolarHBondContact O-NE2 2.91Å |
| 639 | S | 89.9 | Confident | 82.6 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 169.5 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | T635 A636 I637 K641 Q642 V643 | T635-S639 PolarHBondContact O-N 3.45Å; T635-S639 PolarHBondContact O-OG 2.9Å; A636-S639 WeakPolarHBondContact O-CB 3.32Å; A636-S639 PolarHBondContact O-N 3.28Å; I637-S639 VanDerWaalsContact C-N 3.26Å; I637-S639 PolarHBondContact O-N 3.39Å; S639-K641 VanDerWaalsContact C-N 3.32Å; S639-K641 PolarHBondContact O-N 3.42Å; S639-Q642 WeakPolarHBondContact O-CB 3.34Å; S639-Q642 PolarHBondContact O-N 3.5Å; S639-Q642 VanDerWaalsContact O-N 3.12Å; S639-V643 PolarHBondContact O-N 3.4Å |
| 640 | I | 91.2 | Very high | 79.5 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.2 | -47.6 | 174 | -77.3 | 155.1 | 0 | 0 | 0 | 111.2 | I532 V572 I576 A595 L599 A636 I637 Q642 V643 I644 | I532-I640 HydrophobicContact CD1-CG2 4.02Å; V572-I640 HydrophobicContact CG1-CD1 4.38Å; I576-I640 HydrophobicContact CD1-CB 4.29Å; I576-I640 HydrophobicContact CD1-CD1 3.47Å; I576-I640 VanDerWaalsContact CD1-CD1 3.47Å; I576-I640 HydrophobicContact CD1-CG1 3.8Å; I576-I640 HydrophobicContact CD1-CG2 3.53Å; I576-I640 HydrophobicContact CG1-CG2 3.71Å; A595-I640 HydrophobicContact CB-CG1 3.74Å; L599-I640 HydrophobicContact CB-CD1 3.64Å; L599-I640 HydrophobicContact CD2-CD1 3.42Å; L599-I640 VanDerWaalsContact CD2-CD1 3.42Å; L599-I640 HydrophobicContact CG-CD1 4.11Å; A636-I640 WeakPolarHBondContact O-CD1 3.44Å; A636-I640 WeakPolarHBondContact O-CG1 3.39Å; A636-I640 PolarHBondContact O-N 3.03Å; I637-I640 WeakPolarHBondContact O-CB 3.29Å; I637-I640 PolarHBondContact O-N 3.26Å; I640-Q642 PolarHBondContact O-N 3.43Å; I640-V643 WeakPolarHBondContact O-CB 3.27Å; I640-V643 PolarHBondContact O-N 3.39Å; I640-I644 HydrophobicContact CG2-CD1 3.88Å; I640-I644 PolarHBondContact O-N 2.87Å |
| 641 | K | 88.5 | Confident | 76.5 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 21% | 0.213 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.4 | -34.4 | 178.5 | -171 | 173.9 | 66.8 | -156.6 | 0 | 112.2 | I532 E536 I637 N638 S639 S645 | I532-K641 HydrophobicContact CG2-CB 4.42Å; E536-K641 IonicContact OE1-NZ 3.69Å; E536-K641 PolarHBondContact OE1-NZ 3.2Å; E536-K641 IonicContact OE2-NZ 3.69Å; E536-K641 PolarHBondContact OE2-NZ 3.09Å; I637-K641 PolarHBondContact O-N 2.92Å; N638-K641 WeakPolarHBondContact OD1-CE 3.35Å; N638-K641 PolarHBondContact OD1-NZ 3.14Å; S639-K641 VanDerWaalsContact C-N 3.32Å; S639-K641 PolarHBondContact O-N 3.42Å; K641-S645 VanDerWaalsContact O-CB 3.28Å; K641-S645 WeakPolarHBondContact O-CB 3.1Å; K641-S645 PolarHBondContact O-N 2.85Å; K641-S645 PolarHBondContact O-OG 3.5Å |
| 642 | Q | 85.9 | Confident | 73.6 | Confident | 122 Ų | 122 | 65.9 Ų | 65.9 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -75.6 | -23.8 | 176 | -66.7 | 165.9 | 54 | 0 | 0 | 113.9 | N638 S639 I640 | N638-Q642 PolarHBondContact ND2-NE2 3.38Å; N638-Q642 WeakPolarHBondContact O-CG 3.32Å; N638-Q642 PolarHBondContact O-NE2 2.91Å; S639-Q642 WeakPolarHBondContact O-CB 3.34Å; S639-Q642 PolarHBondContact O-N 3.5Å; S639-Q642 VanDerWaalsContact O-N 3.12Å; I640-Q642 PolarHBondContact O-N 3.43Å |
| 643 | V | 84.6 | Confident | 70.7 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -78.2 | -32.7 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | R591 M592 A595 S639 I640 | R591-V643 HydrophobicContact CB-CG1 3.87Å; M592-V643 HydrophobicContact CG-CG1 4.01Å; A595-V643 HydrophobicContact CB-CG2 4.45Å; S639-V643 PolarHBondContact O-N 3.4Å; I640-V643 WeakPolarHBondContact O-CB 3.27Å; I640-V643 PolarHBondContact O-N 3.39Å |
| 644 | I | 81.4 | Confident | 67.7 | Low | 16 Ų | 16 | 71.9 Ų | 71.9 | 8% | 0.082 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -92.9 | -26.6 | -176.8 | -54.5 | 178.6 | 0 | 0 | 0 | 111.8 | A528 N529 I532 I576 M592 I640 | A528-I644 HydrophobicContact CB-CG2 4.32Å; N529-I644 PolarHBondContact ND2-O 3.11Å; N529-I644 VanDerWaalsContact OD1-C 3.26Å; N529-I644 WeakPolarHBondContact OD1-CB 3.45Å; N529-I644 WeakPolarHBondContact OD1-CG2 3.4Å; I532-I644 HydrophobicContact CD1-CD1 3.48Å; I532-I644 VanDerWaalsContact CD1-CD1 3.48Å; I576-I644 HydrophobicContact CG1-CD1 4.07Å; I576-I644 HydrophobicContact CG2-CD1 4.46Å; M592-I644 HydrophobicContact CE-CD1 3.9Å; M592-I644 HydrophobicContact CE-CG1 3.62Å; I640-I644 HydrophobicContact CG2-CD1 3.88Å; I640-I644 PolarHBondContact O-N 2.87Å |
| 645 | S | 75.7 | Confident | 64.8 | Low | 46 Ų | 46 | 78.2 Ų | 78.2 | 32% | 0.322 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -59 | 132.4 | 170.1 | -68.1 | 0 | 0 | 0 | 0 | 110.3 | N529 K641 S647 | N529-S645 PolarHBondContact OD1-N 2.95Å; N529-S645 VanDerWaalsContact OD1-N 3.16Å; K641-S645 VanDerWaalsContact O-CB 3.28Å; K641-S645 WeakPolarHBondContact O-CB 3.1Å; K641-S645 PolarHBondContact O-N 2.85Å; K641-S645 PolarHBondContact O-OG 3.5Å; S645-S647 PolarHBondContact O-N 2.92Å; S645-S647 PolarHBondContact O-OG 2.87Å |
| 646 | P | 58.5 | Low | 61.8 | Low | 92 Ų | 92 | 80.5 Ų | 80.5 | 60% | 0.597 | 42% | 0.419 | S | S | * | . | trans | -59.4 | 117.9 | -178.3 | 24.3 | -33.7 | 0 | 0 | 0 | 110 | F648 | P646-F648 HydrophobicContact CB-CD2 4.01Å; P646-F648 HydrophobicContact CB-CE2 3.86Å; P646-F648 HydrophobicContact CG-CD2 4.24Å; P646-F648 HydrophobicContact CG-CE2 4.14Å; P646-F648 PolarHBondContact O-N 3.38Å | ||
| 647 | S | 48.1 | Very low | 58.9 | Low | 83 Ų | 83 | 87.1 Ų | 87.1 | 58% | 0.58 | 45% | 0.448 | S | S | * | . | trans | -78.7 | 64.5 | -165.7 | -47 | 0 | 0 | 0 | 0 | 112.9 | S645 N649 | S645-S647 PolarHBondContact O-N 2.92Å; S645-S647 PolarHBondContact O-OG 2.87Å; S647-N649 PolarHBondContact O-N 2.84Å | ||
| 648 | F | 43.6 | Very low | 56 | Low | 172 Ų | 172 | 93 Ų | 93 | 75% | 0.754 | 48% | 0.475 | S | S | * | . | trans | -66.6 | 1.8 | 174.3 | -76.7 | -75.7 | 0 | 0 | 0 | 114.3 | P646 N650 | P646-F648 HydrophobicContact CB-CD2 4.01Å; P646-F648 HydrophobicContact CB-CE2 3.86Å; P646-F648 HydrophobicContact CG-CD2 4.24Å; P646-F648 HydrophobicContact CG-CE2 4.14Å; P646-F648 PolarHBondContact O-N 3.38Å; F648-N650 PolarHBondContact O-N 3.46Å | ||
| 649 | N | 31.7 | Very low | 53.3 | Low | 157 Ų | 157 | 98.4 Ų | 98.4 | 84% | 0.84 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -70.3 | 97.6 | 173.5 | -75.7 | -20.1 | 0 | 0 | 0 | 111.2 | S647 | S647-N649 PolarHBondContact O-N 2.84Š|
| 650 | N | 30.6 | Very low | 50.5 | Low | 96 Ų | 96 | 102.4 Ų | 102.4 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | trans | 63.4 | 81.8 | 171.1 | -75.5 | -21.2 | 0 | 0 | 0 | 117.8 | F648 I652 N653 | F648-N650 PolarHBondContact O-N 3.46Å; N650-I652 PolarHBondContact O-N 2.65Å; N650-I652 VanDerWaalsContact O-N 3.16Å; N650-N653 HydrophobicContact CB-CB 4.4Å | ||
| 651 | P | 35.2 | Very low | 47.5 | Very low | 91 Ų | 91 | 110.8 Ų | 110.8 | 59% | 0.591 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.9 | -23.1 | 153.1 | -22.2 | 33.7 | 0 | 0 | 0 | 113.3 | Y655 | P651-Y655 WeakPolarHBondContact O-CD2 3.39Å |
| 652 | I | 36.2 | Very low | 44.7 | Very low | 125 Ų | 125 | 116.5 Ų | 116.5 | 64% | 0.641 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.2 | -40 | -174.4 | -62.5 | 176.5 | 0 | 0 | 0 | 112.4 | N650 H656 | N650-I652 PolarHBondContact O-N 2.65Å; N650-I652 VanDerWaalsContact O-N 3.16Å; I652-H656 PolarHBondContact O-N 2.69Å |
| 653 | N | 34 | Very low | 42 | Very low | 86 Ų | 86 | 116 Ų | 116 | 46% | 0.46 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.5 | -39.7 | -171.5 | -76.3 | 16.7 | 0 | 0 | 0 | 112.9 | N650 Y655 H656 E657 | N650-N653 HydrophobicContact CB-CB 4.4Å; N653-Y655 VanDerWaalsContact C-N 3.29Å; N653-Y655 PolarHBondContact O-N 2.68Å; N653-H656 PolarHBondContact O-N 2.82Å; N653-E657 PolarHBondContact O-N 3.27Å |
| 654 | Y | 35.4 | Very low | 39.1 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 45% | 0.447 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.7 | -34.5 | -178.4 | -156.5 | -94.1 | 0 | 0 | 0 | 112.3 | H658 | Y654-H658 AromaticContact CE1-CD2 3.91Å; Y654-H658 AromaticContact CE2-CD2 3.95Å; Y654-H658 AromaticContact CZ-CD2 3.76Å; Y654-H658 PolarHBondContact O-N 2.94Å |
| 655 | Y | 33.6 | Very low | 36.7 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.2 | -28.8 | 170.7 | -81.2 | -90.8 | 0 | 0 | 0 | 112.9 | P651 N653 Y659 | P651-Y655 WeakPolarHBondContact O-CD2 3.39Å; N653-Y655 VanDerWaalsContact C-N 3.29Å; N653-Y655 PolarHBondContact O-N 2.68Å; Y655-Y659 AromaticContact CD1-CD2 3.9Å; Y655-Y659 HydrophobicContact CD1-CD2 3.9Å; Y655-Y659 AromaticContact CD1-CE2 3.86Å; Y655-Y659 HydrophobicContact CD1-CE2 3.86Å; Y655-Y659 HydrophobicContact CE1-CE2 4.05Å; Y655-Y659 WeakPolarHBondContact O-CB 3.27Å; Y655-Y659 PolarHBondContact O-N 3.1Å |
| 656 | H | 34.1 | Very low | 34.3 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 56% | 0.56 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77.4 | -39.1 | -179.1 | -157.8 | 48.4 | 0 | 0 | 0 | 113 | I652 N653 H660 | I652-H656 PolarHBondContact O-N 2.69Å; N653-H656 PolarHBondContact O-N 2.82Å; H656-H660 AromaticContact CE1-CD2 3.81Å; H656-H660 AromaticContact CE1-NE2 3.66Å; H656-H660 AromaticContact ND1-CD2 3.83Å; H656-H660 AromaticContact ND1-NE2 3.93Å |
| 657 | E | 33 | Very low | 33 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.8 | -37.8 | 178.8 | -68.7 | -173.1 | 120.1 | 0 | 0 | 112.9 | N653 | N653-E657 PolarHBondContact O-N 3.27Å |
| 658 | H | 34 | Very low | 32.3 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 57% | 0.569 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -91.5 | -14 | -173.5 | -78.8 | -68.8 | 0 | 0 | 0 | 116.6 | Y654 | Y654-H658 AromaticContact CE1-CD2 3.91Å; Y654-H658 AromaticContact CE2-CD2 3.95Å; Y654-H658 AromaticContact CZ-CD2 3.76Å; Y654-H658 PolarHBondContact O-N 2.94Å |
| 659 | Y | 35.1 | Very low | 31.6 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -101.9 | -0.4 | 178.9 | -82.2 | -87.1 | 0 | 0 | 0 | 115.7 | Y655 H661 | Y655-Y659 AromaticContact CD1-CD2 3.9Å; Y655-Y659 HydrophobicContact CD1-CD2 3.9Å; Y655-Y659 AromaticContact CD1-CE2 3.86Å; Y655-Y659 HydrophobicContact CD1-CE2 3.86Å; Y655-Y659 HydrophobicContact CE1-CE2 4.05Å; Y655-Y659 WeakPolarHBondContact O-CB 3.27Å; Y655-Y659 PolarHBondContact O-N 3.1Å; Y659-H661 VanDerWaalsContact C-N 3.35Å; Y659-H661 PolarHBondContact O-N 3.33Å |
| 660 | H | 31.3 | Very low | 31.5 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 65% | 0.653 | 69% | 0.686 | S | S | * | * | trans | -82.3 | -4.3 | 179.1 | -102.1 | -62.8 | 0 | 0 | 0 | 115.5 | H656 H662 | H656-H660 AromaticContact CE1-CD2 3.81Å; H656-H660 AromaticContact CE1-NE2 3.66Å; H656-H660 AromaticContact ND1-CD2 3.83Å; H656-H660 AromaticContact ND1-NE2 3.93Å; H660-H662 PolarHBondContact O-N 3.45Å | ||
| 661 | H | 26.8 | Very low | 31.5 | Very low | 177 Ų | 177 | 137 Ų | 137 | 82% | 0.819 | 70% | 0.696 | S | S | * | * | trans | -89.9 | 67.2 | 173.4 | -81.8 | -51.5 | 0 | 0 | 0 | 113.3 | Y659 P663 | Y659-H661 VanDerWaalsContact C-N 3.35Å; Y659-H661 PolarHBondContact O-N 3.33Å; H661-P663 WeakPolarHBondContact O-CD 3.43Å | ||
| 662 | H | 29.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.787 | 71% | 0.706 | S | S | * | * | trans | -67.6 | 123.4 | 159.3 | -120.8 | -65.9 | 0 | 0 | 0 | 109.1 | H660 L664 | H660-H662 PolarHBondContact O-N 3.45Å; H662-L664 PolarHBondContact O-N 2.96Å | ||
| 663 | P | 29.2 | Very low | 31 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | trans | -69.7 | 125.6 | 175.8 | 27.1 | -33 | 0 | 0 | 0 | 110.3 | H661 S665 | H661-P663 WeakPolarHBondContact O-CD 3.43Å; P663-S665 VanDerWaalsContact C-N 3.28Å; P663-S665 PolarHBondContact O-N 2.78Å | ||
| 664 | L | 24.7 | Very low | 31 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 90% | 0.895 | 73% | 0.727 | S | S | * | * | trans | -69.9 | 82.2 | 173.9 | -77.6 | 166.3 | 0 | 0 | 0 | 110.5 | H662 V666 | H662-L664 PolarHBondContact O-N 2.96Å; L664-V666 PolarHBondContact O-N 3.19Å | ||
| 665 | S | 30.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -67.9 | 111.4 | 172.5 | -170.7 | 0 | 0 | 0 | 0 | 110 | P663 H667 | P663-S665 VanDerWaalsContact C-N 3.28Å; P663-S665 PolarHBondContact O-N 2.78Å; S665-H667 PolarHBondContact O-N 2.8Å | ||
| 666 | V | 25.7 | Very low | 30.4 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | trans | -79.9 | 102.7 | -176.8 | 179.8 | 0 | 0 | 0 | 0 | 110 | L664 | L664-V666 PolarHBondContact O-N 3.19Š| ||
| 667 | H | 31.2 | Very low | 30 | Very low | 181 Ų | 181 | 143 Ų | 143 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -123.9 | 132.7 | 159.3 | -100.5 | -93.7 | 0 | 0 | 0 | 111.4 | S665 | S665-H667 PolarHBondContact O-N 2.8Š| ||
| 668 | K | 32 | Very low | 29.9 | Very low | 173 Ų | 173 | 143 Ų | 143 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -92.3 | 139.5 | -171.3 | -73.7 | 179.1 | 177.3 | 174.7 | 0 | 112.3 | ||||
| 669 | N | 29.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 61.7 | 106.3 | 145.8 | -57.3 | 5.4 | 0 | 0 | 0 | 118.7 | ||||
| 670 | G | 30.5 | Very low | 29.4 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | -154.8 | 125.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 671 | I | 30.3 | Very low | 29.3 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -110.4 | 144.1 | -167.7 | -61 | 174.5 | 0 | 0 | 0 | 110.8 | ||||
| 672 | H | 32.7 | Very low | 29.6 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 113 | 141.1 | 166.6 | -65.4 | -61.6 | 0 | 0 | 0 | 115.1 | ||||
| 673 | S | 28.1 | Very low | 29.7 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | cis | 160.1 | 93.9 | -21 | -94.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 674 | T | 32.6 | Very low | 29.8 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -159.2 | 133.2 | 151.8 | 30.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 675 | N | 25.9 | Very low | 29.9 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -106.1 | 140.3 | 173.2 | -66.1 | -26.3 | 0 | 0 | 0 | 109.6 | ||||
| 676 | T | 30.7 | Very low | 30 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -153.2 | 133.8 | 140.7 | -1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 677 | S | 27.4 | Very low | 30.3 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -133.3 | 133.1 | 171.1 | 56.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 678 | I | 30.4 | Very low | 30.2 | Very low | 151 Ų | 151 | 134 Ų | 134 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | -167.8 | 132.8 | 167.1 | -95.6 | 138.8 | 0 | 0 | 0 | 105.6 | ||||
| 679 | S | 26 | Very low | 30.2 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | cis | 93.5 | 90.8 | 13.3 | 89.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 680 | S | 31.2 | Very low | 30.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -155.8 | 113.8 | 158.5 | 53.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 681 | N | 30.8 | Very low | 30.3 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | 73.6 | 139.5 | 76.9 | -64.4 | -5.8 | 0 | 0 | 0 | 111.9 | |||||
| 682 | S | 32 | Very low | 30.4 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | cis | -165.1 | 173.4 | -5.7 | -95.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 683 | C | 31.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | -156.6 | -177.1 | 11.6 | -136 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 684 | N | 32.1 | Very low | 30.3 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | cis | -152.8 | -177.2 | 2.8 | -158.2 | -4.7 | 0 | 0 | 0 | 109.6 | ||||
| 685 | N | 26.6 | Very low | 30.1 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | trans | -117.2 | 162.1 | 176.5 | -74.4 | -53.1 | 0 | 0 | 0 | 113.7 | ||||
| 686 | I | 32.8 | Very low | 30.2 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -128.6 | 134.2 | 140.9 | -65 | -175.2 | 0 | 0 | 0 | 108.4 | ||||
| 687 | H | 31.6 | Very low | 30.1 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | trans | -79.3 | 160.2 | 178.3 | -77.9 | -9.9 | 0 | 0 | 0 | 111.3 | ||||
| 688 | N | 30.3 | Very low | 30.2 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | -165.8 | 163.7 | 71.7 | -136.5 | -17.2 | 0 | 0 | 0 | 117 | |||||
| 689 | N | 30.8 | Very low | 29.9 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | trans | -77.1 | 152 | -168.7 | -56.8 | -53.5 | 0 | 0 | 0 | 115.6 | ||||
| 690 | N | 31.9 | Very low | 30.1 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | 162.6 | 158.1 | 115.8 | -84.9 | -33.8 | 0 | 0 | 0 | 111.3 | |||||
| 691 | N | 30.9 | Very low | 30.1 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | cis | -178.1 | 162.9 | -42 | -117.8 | -37.3 | 0 | 0 | 0 | 107.6 | ||||
| 692 | N | 32 | Very low | 29.8 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | 71.1 | 151.4 | 171.7 | -54.8 | -18 | 0 | 0 | 0 | 117.3 | ||||
| 693 | S | 31.8 | Very low | 29.7 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | cis | -170.6 | 121.7 | -23 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 694 | V | 27.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | 72.2 | 141.7 | 99.4 | 177.3 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 695 | A | 29.3 | Very low | 29.2 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 82.7 | 149.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 696 | S | 27.4 | Very low | 29.3 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -171.1 | 145.2 | -29.3 | -104 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 697 | S | 27.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 48.9 | 127.7 | 142.5 | -48 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 698 | K | 30 | Very low | 28.7 | Very low | 212 Ų | 212 | 137.8 Ų | 137.8 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | -176.1 | 170.4 | 105.8 | -100.8 | 171.5 | -174.8 | 178.7 | 0 | 114.1 | |||||
| 699 | S | 24.5 | Very low | 28.4 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -121.2 | 146 | -165.8 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 700 | S | 30.7 | Very low | 28.3 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 175.6 | 152.3 | 152.1 | -80.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 701 | Q | 30.7 | Very low | 27.9 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | cis | -153.1 | 160.1 | -5.5 | -127 | 175.5 | -7.7 | 0 | 0 | 108 | ||||
| 702 | A | 23.3 | Very low | 27.8 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -100.1 | 149.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 703 | S | 30.2 | Very low | 27.5 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -153.9 | 117.8 | 165 | -81.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 704 | N | 29.5 | Very low | 27.2 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -36.5 | 136.2 | -178.1 | -54.8 | -28.6 | 0 | 0 | 0 | 119.1 | ||||
| 705 | N | 25.1 | Very low | 27.1 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | 23.4 | 124.6 | 128.8 | -53.6 | 10.4 | 0 | 0 | 0 | 119.1 | |||||
| 706 | K | 28.7 | Very low | 26.9 | Very low | 205 Ų | 205 | 146.6 Ų | 146.6 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | -161.3 | 133.5 | 104.6 | -109.8 | 177.7 | -177.1 | -176.4 | 0 | 112.8 | |||||
| 707 | E | 23 | Very low | 26.8 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -77.1 | 135.6 | 168.4 | -59.9 | 150.2 | 112.5 | 0 | 0 | 110.1 | ||||
| 708 | I | 28.4 | Very low | 26.8 | Very low | 155 Ų | 155 | 154 Ų | 154 | 80% | 0.795 | 82% | 0.822 | S | S | * | * | trans | -138.1 | 98.1 | 148.3 | -58.7 | -176.3 | 0 | 0 | 0 | 106.9 | ||||
| 709 | T | 24.5 | Very low | 26.5 | Very low | 135 Ų | 135 | 153 Ų | 153 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | trans | -86.9 | 103.8 | 171 | 43.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 710 | S | 26.9 | Very low | 26.6 | Very low | 89 Ų | 89 | 155 Ų | 155 | 62% | 0.622 | 82% | 0.821 | S | S | * | * | trans | -113.6 | 102.3 | 172.9 | 59.8 | 0 | 0 | 0 | 0 | 110.4 | I712 | S710-I712 PolarHBondContact O-N 3.49Š| ||
| 711 | S | 24.1 | Very low | 26.4 | Very low | 124 Ų | 124 | 153.4 Ų | 153.4 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -61.7 | 128.9 | 177.3 | -43.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 712 | I | 28.4 | Very low | 26.4 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -119.9 | 129.5 | 171.1 | -61.8 | 178.6 | 0 | 0 | 0 | 107.9 | S710 | S710-I712 PolarHBondContact O-N 3.49Š| ||
| 713 | P | 26.2 | Very low | 26.8 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -69.6 | 142.2 | -175.1 | -20.4 | 33.3 | 0 | 0 | 0 | 114.2 | R715 | P713-R715 PolarHBondContact O-N 2.64Å; P713-R715 VanDerWaalsContact O-N 3.08Å | ||
| 714 | L | 25.9 | Very low | 26.6 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -70.1 | 96.5 | 170.1 | -76.5 | 158.9 | 0 | 0 | 0 | 110.9 | ||
| 715 | R | 25.1 | Very low | 26.6 | Very low | 235 Ų | 235 | 142.4 Ų | 142.4 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | trans | -148.4 | 0.6 | 165.6 | -142.7 | 175.9 | 178.5 | 162.2 | 2.6 | 117.2 | P713 | P713-R715 PolarHBondContact O-N 2.64Å; P713-R715 VanDerWaalsContact O-N 3.08Å | ||
| 716 | E | 24.1 | Very low | 26.7 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -127.4 | 49.7 | -174.1 | -64.5 | -176.1 | 147.9 | 0 | 0 | 112.9 | ||
| 717 | M | 27.1 | Very low | 26.5 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 84% | 0.837 | 71% | 0.71 | S | S | * | * | trans | -137.3 | 30.2 | 177.5 | -66.7 | -164.1 | -172.6 | 0 | 0 | 115 | ||||
| 718 | Q | 26.8 | Very low | 26.8 | Very low | 196 Ų | 196 | 132.4 Ų | 132.4 | 92% | 0.916 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -98.9 | -9.9 | 167.8 | -80.7 | -178.9 | -55 | 0 | 0 | 113.9 | I720 | Q718-I720 PolarHBondContact O-N 3.32Š|
| 719 | E | 23.9 | Very low | 26.7 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -93.9 | 44.7 | -179 | -62.2 | -164.7 | 143.4 | 0 | 0 | 114.1 | ||||
| 720 | I | 27 | Very low | 26.7 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | trans | -113.8 | 63.8 | 156.8 | -50.7 | -176.8 | 0 | 0 | 0 | 108 | Q718 | Q718-I720 PolarHBondContact O-N 3.32Š| ||
| 721 | S | 25.3 | Very low | 26.7 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | trans | -68.6 | 135 | 167.9 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | T723 | S721-T723 PolarHBondContact O-N 2.91Š| ||
| 722 | I | 31.1 | Very low | 26.7 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 35% | 0.354 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | 66.4 | 175.3 | -50.4 | 179 | 0 | 0 | 0 | 108.5 | R404 V725 | R404-I722 VanDerWaalsContact CZ-O 3.31Å; R404-I722 PolarHBondContact NH1-O 3.43Å; R404-I722 PolarHBondContact NH2-O 2.94Å; I722-V725 HydrophobicContact CG2-CB 4.14Å; I722-V725 HydrophobicContact CG2-CG2 3.95Å |
| 723 | T | 30.6 | Very low | 26.7 | Very low | 61 Ų | 61 | 141.4 Ų | 141.4 | 37% | 0.374 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -43.3 | 167.8 | 42.6 | 0 | 0 | 0 | 0 | 110.8 | S721 V725 S726 | S721-T723 PolarHBondContact O-N 2.91Å; T723-V725 PolarHBondContact O-N 3.45Å; T723-S726 PolarHBondContact O-N 3.36Å; T723-S726 PolarHBondContact O-OG 2.77Å |
| 724 | D | 26.4 | Very low | 26.6 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 24.4 | -163.9 | -59.7 | 6.5 | 0 | 0 | 0 | 114.1 | ||
| 725 | V | 30.5 | Very low | 26.6 | Very low | 61 Ų | 61 | 142.3 Ų | 142.3 | 37% | 0.37 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.5 | -7.6 | 173.8 | -167.5 | 0 | 0 | 0 | 0 | 111.6 | V607 I722 T723 | V607-V725 HydrophobicContact CG1-CG1 4.3Å; I722-V725 HydrophobicContact CG2-CB 4.14Å; I722-V725 HydrophobicContact CG2-CG2 3.95Å; T723-V725 PolarHBondContact O-N 3.45Å |
| 726 | S | 26.9 | Very low | 26.7 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 44% | 0.441 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -105.6 | 9.4 | 179 | 61.1 | 0 | 0 | 0 | 0 | 115.5 | R404 T723 | R404-S726 PolarHBondContact NH1-OG 3.09Å; T723-S726 PolarHBondContact O-N 3.36Å; T723-S726 PolarHBondContact O-OG 2.77Å |
| 727 | H | 25.3 | Very low | 26.8 | Very low | 139 Ų | 139 | 137 Ų | 137 | 64% | 0.644 | 71% | 0.707 | S | S | * | * | trans | -100.6 | 88.2 | 172.8 | -78.1 | -40.5 | 0 | 0 | 0 | 111.8 | ||||
| 728 | I | 29.4 | Very low | 26.8 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | trans | -118.5 | 126 | 155.9 | -62.1 | 177.8 | 0 | 0 | 0 | 106 | ||||
| 729 | P | 24.7 | Very low | 26.7 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -65.2 | 135.3 | 179.1 | -21.4 | 33.4 | 0 | 0 | 0 | 112 | ||||
| 730 | Y | 25.9 | Very low | 26.9 | Very low | 236 Ų | 236 | 131.4 Ų | 131.4 | 93% | 0.925 | 70% | 0.701 | S | S | * | * | trans | -67.7 | 131.9 | 172.6 | -80.1 | -93.2 | 0 | 0 | 0 | 111.5 | ||||
| 731 | S | 25.7 | Very low | 26.9 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | -142.7 | 115.3 | 163.1 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 732 | Y | 24 | Very low | 26.8 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 81% | 0.808 | 71% | 0.709 | S | S | * | * | trans | 11.8 | 126.7 | 161.9 | -81.5 | -91.6 | 0 | 0 | 0 | 120.2 | ||||
| 733 | I | 29.9 | Very low | 26.6 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | -161.4 | 148.1 | 122.3 | -99.8 | 150.7 | 0 | 0 | 0 | 109.1 | |||||
| 734 | D | 23.9 | Very low | 26.2 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | -85.2 | 163.3 | -167.4 | -72.2 | -74.4 | 0 | 0 | 0 | 116.1 | ||||
| 735 | N | 24.4 | Very low | 26.3 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -59.4 | 146.9 | 171.5 | -75.5 | -54.1 | 0 | 0 | 0 | 113.7 | ||||
| 736 | N | 27.6 | Very low | 26 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -162.7 | 145.3 | 133.4 | -104.7 | -49.5 | 0 | 0 | 0 | 113.3 | ||||
| 737 | N | 26.1 | Very low | 26 | Very low | 145 Ų | 145 | 157.2 Ų | 157.2 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -83.9 | 154.4 | 174.3 | -81.8 | -32.2 | 0 | 0 | 0 | 112 | ||||
| 738 | N | 28.2 | Very low | 25.8 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | -178 | 161.3 | 120 | -93.7 | -39.4 | 0 | 0 | 0 | 114.4 | |||||
| 739 | N | 23.8 | Very low | 25.8 | Very low | 163 Ų | 163 | 158.7 Ų | 158.7 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -81.3 | 145.2 | -175 | -69.9 | -37.6 | 0 | 0 | 0 | 115.2 | ||||
| 740 | S | 29.1 | Very low | 25.6 | Very low | 110 Ų | 110 | 158 Ų | 158 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -166.9 | 105.9 | 143 | -173.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 741 | H | 25.9 | Very low | 25.8 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | 60.3 | 113 | 97 | -96 | 62.5 | 0 | 0 | 0 | 116.5 | |||||
| 742 | N | 22.9 | Very low | 25.6 | Very low | 134 Ų | 134 | 159.8 Ų | 159.8 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | 36.3 | 130.8 | 149.9 | -56.4 | 12.9 | 0 | 0 | 0 | 121.6 | ||||
| 743 | D | 27.4 | Very low | 25.8 | Very low | 159 Ų | 159 | 160.1 Ų | 160.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | -163 | 147.4 | 102.8 | -100.6 | -16.5 | 0 | 0 | 0 | 112.1 | |||||
| 744 | D | 22.6 | Very low | 25.5 | Very low | 144 Ų | 144 | 161 Ų | 161 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -81.1 | 131.1 | -176.7 | -72.8 | -65.3 | 0 | 0 | 0 | 113.3 | ||||
| 745 | Y | 28.7 | Very low | 25.5 | Very low | 219 Ų | 219 | 163.1 Ų | 163.1 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -140.9 | 111.2 | 154.7 | -95.5 | -75.8 | 0 | 0 | 0 | 113.3 | ||||
| 746 | I | 23.4 | Very low | 25.5 | Very low | 131 Ų | 131 | 161.2 Ų | 161.2 | 67% | 0.672 | 80% | 0.798 | S | S | * | * | trans | -78.1 | 125.9 | -178.1 | -62 | 166.6 | 0 | 0 | 0 | 110.8 | ||||
| 747 | Y | 26.6 | Very low | 25.4 | Very low | 210 Ų | 210 | 160.5 Ų | 160.5 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -114.2 | 96.9 | 163.8 | -96.1 | -85.2 | 0 | 0 | 0 | 111.2 | T749 | Y747-T749 PolarHBondContact O-N 3.39Š| ||
| 748 | H | 22.1 | Very low | 25.4 | Very low | 174 Ų | 174 | 164.3 Ų | 164.3 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -66 | 117.1 | 170.2 | -82.1 | -71.1 | 0 | 0 | 0 | 110.8 | ||||
| 749 | T | 28.3 | Very low | 25.1 | Very low | 115 Ų | 115 | 161.9 Ų | 161.9 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -112 | 107.5 | 166.5 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | Y747 H751 | Y747-T749 PolarHBondContact O-N 3.39Å; T749-H751 PolarHBondContact O-N 3Å | ||
| 750 | S | 21.6 | Very low | 25.2 | Very low | 104 Ų | 104 | 161 Ų | 161 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -90.7 | 100.1 | -172 | 41.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 751 | H | 29 | Very low | 25 | Very low | 161 Ų | 161 | 162.5 Ų | 162.5 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | -102.2 | 104.6 | 168.4 | -86.9 | -68.6 | 0 | 0 | 0 | 112 | T749 Y753 | T749-H751 PolarHBondContact O-N 3Å; H751-Y753 PolarHBondContact O-N 3.19Å | ||
| 752 | Y | 23.1 | Very low | 25 | Very low | 219 Ų | 219 | 162.6 Ų | 162.6 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | -64.7 | 110.4 | 168.7 | -89.1 | -101.1 | 0 | 0 | 0 | 110.7 | ||||
| 753 | Y | 28.1 | Very low | 25.2 | Very low | 214 Ų | 214 | 160.7 Ų | 160.7 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -107.4 | 105.5 | 158.8 | -99.2 | -80.1 | 0 | 0 | 0 | 109.7 | H751 K755 | H751-Y753 PolarHBondContact O-N 3.19Å; Y753-K755 VanDerWaalsContact C-N 3.33Å; Y753-K755 PolarHBondContact O-N 3.34Å | ||
| 754 | Q | 23.4 | Very low | 25.1 | Very low | 189 Ų | 189 | 160.3 Ų | 160.3 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -80.4 | 75.1 | -173.6 | -167.3 | 171.9 | 3.6 | 0 | 0 | 111.4 | ||||
| 755 | K | 24.5 | Very low | 25.4 | Very low | 185 Ų | 185 | 159.4 Ų | 159.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -65.3 | 131.1 | 168.9 | -88.2 | -175.9 | 175 | 176.8 | 0 | 110.3 | Y753 M757 | Y753-K755 VanDerWaalsContact C-N 3.33Å; Y753-K755 PolarHBondContact O-N 3.34Å; K755-M757 PolarHBondContact O-N 2.94Å | ||
| 756 | P | 24.2 | Very low | 25.5 | Very low | 114 Ų | 114 | 155.6 Ų | 155.6 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | trans | -75.5 | 102.6 | 167.5 | 30.1 | -31.7 | 0 | 0 | 0 | 109.8 | Y758 | P756-Y758 PolarHBondContact O-N 3.47Š| ||
| 757 | M | 24.9 | Very low | 25.8 | Very low | 153 Ų | 153 | 156.5 Ų | 156.5 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -76.7 | 118.7 | 170.4 | -74.7 | -165.9 | 81.1 | 0 | 0 | 111 | K755 E759 | K755-M757 PolarHBondContact O-N 2.94Å; M757-E759 VanDerWaalsContact C-N 3.28Å; M757-E759 HydrophobicContact CB-CB 4.4Å; M757-E759 HydrophobicContact CE-CG 4.36Å; M757-E759 PolarHBondContact O-N 3.22Å | ||
| 758 | Y | 24.7 | Very low | 25.8 | Very low | 224 Ų | 224 | 153.9 Ų | 153.9 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | -82.3 | 79.5 | 153.3 | -80.4 | -82.6 | 0 | 0 | 0 | 108.8 | P756 I760 | P756-Y758 PolarHBondContact O-N 3.47Å; Y758-I760 PolarHBondContact O-N 3.43Å | ||
| 759 | E | 23.4 | Very low | 26.1 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 54% | 0.537 | 75% | 0.752 | S | S | . | * | trans | -76.7 | 85.8 | -178.2 | -164 | -171.1 | -169.8 | 0 | 0 | 111 | M757 K761 | M757-E759 VanDerWaalsContact C-N 3.28Å; M757-E759 HydrophobicContact CB-CB 4.4Å; M757-E759 HydrophobicContact CE-CG 4.36Å; M757-E759 PolarHBondContact O-N 3.22Å; E759-K761 VanDerWaalsContact CD-NZ 3.27Å; E759-K761 HydrophobicContact CG-CG 4.22Å; E759-K761 PolarHBondContact O-N 3.39Å; E759-K761 WeakPolarHBondContact OE1-CE 3.42Å; E759-K761 IonicContact OE1-NZ 3.26Å; E759-K761 PolarHBondContact OE1-NZ 3.13Å; E759-K761 VanDerWaalsContact OE1-NZ 3.13Å; E759-K761 WeakPolarHBondContact OE2-CE 3.28Å; E759-K761 IonicContact OE2-NZ 2.79Å; E759-K761 PolarHBondContact OE2-NZ 3.4Å | ||
| 760 | I | 24.9 | Very low | 26.2 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -74.7 | 91.1 | 174.1 | -56.9 | -178.5 | 0 | 0 | 0 | 109.3 | Y758 L762 | Y758-I760 PolarHBondContact O-N 3.43Å; I760-L762 HydrophobicContact CG2-CG 4.4Å; I760-L762 PolarHBondContact O-N 3.16Å | ||
| 761 | K | 25 | Very low | 26.6 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | trans | -71 | 90 | 173.5 | -70.8 | -174.9 | 177.4 | 156.6 | 0 | 111.7 | E759 S763 | E759-K761 VanDerWaalsContact CD-NZ 3.27Å; E759-K761 HydrophobicContact CG-CG 4.22Å; E759-K761 PolarHBondContact O-N 3.39Å; E759-K761 WeakPolarHBondContact OE1-CE 3.42Å; E759-K761 IonicContact OE1-NZ 3.26Å; E759-K761 PolarHBondContact OE1-NZ 3.13Å; E759-K761 VanDerWaalsContact OE1-NZ 3.13Å; E759-K761 WeakPolarHBondContact OE2-CE 3.28Å; E759-K761 IonicContact OE2-NZ 2.79Å; E759-K761 PolarHBondContact OE2-NZ 3.4Å; K761-S763 PolarHBondContact O-N 3.1Å | ||
| 762 | L | 25.7 | Very low | 26.8 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -76.7 | 73.8 | 161.4 | -80.7 | 164.5 | 0 | 0 | 0 | 109.9 | I760 | I760-L762 HydrophobicContact CG2-CG 4.4Å; I760-L762 PolarHBondContact O-N 3.16Å | ||
| 763 | S | 28 | Very low | 27.3 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -69.6 | 128.2 | 172.9 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | K761 P765 | K761-S763 PolarHBondContact O-N 3.1Å; S763-P765 WeakPolarHBondContact O-CD 3.4Å | ||
| 764 | N | 24.1 | Very low | 27.6 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | -55.1 | 135.4 | 171.8 | -85.2 | -32.9 | 0 | 0 | 0 | 112.8 | ||||
| 765 | P | 30.6 | Very low | 28.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -113.1 | 92.9 | 155 | 32.9 | -18.9 | 0 | 0 | 0 | 110.4 | S763 | S763-P765 WeakPolarHBondContact O-CD 3.4Š| ||
| 766 | L | 29.4 | Very low | 28.5 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -75.8 | 130.2 | 168.5 | -90.9 | 157.6 | 0 | 0 | 0 | 110.5 | ||||
| 767 | H | 29.5 | Very low | 28.8 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 58.3 | 125 | 164.4 | -73.4 | -75.8 | 0 | 0 | 0 | 121.3 | ||
| 768 | H | 27.4 | Very low | 29.3 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 57 | 109 | 138 | -61.9 | -46.5 | 0 | 0 | 0 | 122.2 | ||||
| 769 | S | 28.4 | Very low | 29.7 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | 65.8 | 105.2 | 116.9 | -51.2 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 770 | P | 30.1 | Very low | 30.1 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 127.5 | 155.4 | 30.8 | -32.2 | 0 | 0 | 0 | 110 | ||
| 771 | S | 31.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 139.1 | 179.2 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 772 | S | 31.5 | Very low | 30.8 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 151.1 | 166.4 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 773 | P | 34.3 | Very low | 31.1 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 147.4 | 179.8 | 27.3 | -34.8 | 0 | 0 | 0 | 112.9 | ||
| 774 | P | 34.2 | Very low | 31.2 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -109.5 | 157.1 | -167.1 | 39.9 | -35 | 0 | 0 | 0 | 115.8 | ||||
| 775 | S | 34 | Very low | 31.5 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -159.1 | 106.4 | 157 | 59.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 776 | L | 33.2 | Very low | 31.5 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | trans | 70.3 | 105.5 | 141.3 | -65.5 | 159 | 0 | 0 | 0 | 122.8 | ||||
| 777 | T | 31.3 | Very low | 31.6 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | 48.9 | 142.7 | 128 | 58 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 778 | H | 34.2 | Very low | 31.7 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | cis | -167.1 | 157.7 | 25.7 | -134 | -54.9 | 0 | 0 | 0 | 113.2 | ||||
| 779 | H | 34.2 | Very low | 31.8 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | trans | 38.3 | 103.8 | 157.2 | -75.9 | -46 | 0 | 0 | 0 | 124.9 | ||||
| 780 | Q | 31.8 | Very low | 31.9 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | 43.1 | 140.1 | 110.4 | -117 | -172.4 | 6.6 | 0 | 0 | 124.8 | |||||
| 781 | K | 32.3 | Very low | 31.8 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 73.4 | 150 | 151.7 | -79.5 | -169.3 | 174.6 | -172.6 | 0 | 119.3 | ||||
| 782 | Q | 32 | Very low | 31.7 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | cis | -170 | 148.9 | -23 | -134.3 | 179.2 | -39.2 | 0 | 0 | 110.9 | ||||
| 783 | H | 30.9 | Very low | 31.6 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | 60.7 | 170.5 | 164.3 | -70.8 | -83.2 | 0 | 0 | 0 | 120.5 | ||||
| 784 | I | 30.9 | Very low | 31.2 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | -166 | 125.9 | -63.8 | -114.5 | 170.1 | 0 | 0 | 0 | 112 | |||||
| 785 | T | 30.1 | Very low | 31 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | trans | 56 | 175.9 | 162.3 | 64.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 786 | T | 31 | Very low | 30.9 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | cis | -127 | 170 | 0.1 | 45.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 787 | T | 30.9 | Very low | 31.2 | Very low | 119 Ų | 119 | 138 Ų | 138 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | -161.7 | 131.9 | 57.1 | 34.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 788 | S | 31.6 | Very low | 31.2 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | 81.6 | 139.4 | 65.5 | 80 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 789 | T | 30.4 | Very low | 31 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | cis | -157.4 | 152.7 | 32.2 | 51 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 790 | S | 29 | Very low | 30.8 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | 60.9 | 162.1 | 134.1 | 72.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 791 | H | 29.4 | Very low | 31.1 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | cis | -159.4 | 157.2 | -6.8 | -119.4 | -22.3 | 0 | 0 | 0 | 114.1 | ||||
| 792 | H | 28.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | trans | 69.3 | 136.9 | 142 | -75.4 | -20.5 | 0 | 0 | 0 | 127.4 | ||||
| 793 | H | 29.5 | Very low | 31.1 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | 75.4 | 112.5 | 134.2 | -72.5 | -8.9 | 0 | 0 | 0 | 125.1 | ||||
| 794 | H | 25.9 | Very low | 31.4 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | 61.5 | 156.5 | 109.7 | -117.8 | 47 | 0 | 0 | 0 | 123.3 | |||||
| 795 | H | 30.1 | Very low | 31.4 | Very low | 171 Ų | 171 | 131 Ų | 131 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | trans | 82.3 | 117.8 | 166.7 | -79.8 | -74.5 | 0 | 0 | 0 | 122.6 | ||||
| 796 | Q | 30.6 | Very low | 31.4 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -71 | 166.8 | 139.7 | -94 | -166.4 | 8.1 | 0 | 0 | 110.1 | ||||
| 797 | P | 40.2 | Very low | 31.4 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 63% | 0.63 | 73% | 0.73 | S | S | * | * | cis | -155.3 | -174.2 | 37.7 | 45.6 | -24.3 | 0 | 0 | 0 | 120 | ||||
| 798 | Y | 30.8 | Very low | 31.2 | Very low | 215 Ų | 215 | 137.7 Ų | 137.7 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | 68 | 128.7 | 144.6 | -85.7 | -61.8 | 0 | 0 | 0 | 124.7 | ||||
| 799 | S | 30.8 | Very low | 31.2 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 107.7 | 128.4 | 135.4 | -65.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 800 | T | 29.3 | Very low | 31 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -77.1 | -179.8 | 168.2 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 801 | P | 39.5 | Very low | 31.4 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | -127.1 | -152.6 | 14.4 | 28 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 802 | T | 31.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | cis | -159.5 | 163.7 | 18.4 | -31.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 803 | T | 31.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | trans | -78.9 | -178.4 | 164 | 41.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 804 | P | 38 | Very low | 31.7 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -153.1 | 172.9 | 23.7 | 44.6 | -22.8 | 0 | 0 | 0 | 121.8 | ||||
| 805 | S | 30.1 | Very low | 31.9 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | trans | 53.7 | 140.5 | 140.9 | 64.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 806 | Y | 31.2 | Very low | 32.1 | Very low | 195 Ų | 195 | 134.9 Ų | 134.9 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | 179.1 | 155.9 | 65.1 | -121.8 | -67.5 | 0 | 0 | 0 | 114.3 | |||||
| 807 | Q | 30.6 | Very low | 32.1 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | 76.8 | 120 | 144.1 | -104.5 | 156.7 | 3.3 | 0 | 0 | 126.1 | ||||
| 808 | Q | 27.4 | Very low | 31.5 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | 47.5 | 124.1 | 133.5 | -67.2 | 172.5 | -15 | 0 | 0 | 121 | ||||
| 809 | S | 31.3 | Very low | 31.8 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | 179.2 | 176.2 | 81.1 | 43.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 810 | S | 25.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -124.7 | -176 | 175.7 | -47 | 0 | 0 | 0 | 0 | 109 | ||||
| 811 | P | 38.2 | Very low | 31.9 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -145.5 | -166.5 | 8.9 | 44.1 | -22.9 | 0 | 0 | 0 | 117.1 | ||||
| 812 | L | 29.4 | Very low | 31.5 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 72.6 | 154.2 | 163.2 | -64.7 | 165.2 | 0 | 0 | 0 | 117.4 | ||||
| 813 | H | 33.7 | Very low | 31.2 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | cis | -146.7 | 136.7 | 17.2 | -141.7 | -81.5 | 0 | 0 | 0 | 113.9 | ||||
| 814 | Q | 30.5 | Very low | 31.3 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | 26.7 | 137 | 155.9 | -66.7 | 172.5 | -16.2 | 0 | 0 | 124.3 | ||||
| 815 | G | 30.3 | Very low | 30.8 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -173.8 | 92 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 816 | Y | 33.1 | Very low | 30.9 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -49.6 | 155 | 174.6 | -65.2 | -83.2 | 0 | 0 | 0 | 115.5 | ||||
| 817 | S | 32.1 | Very low | 30.7 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -165.2 | 153.3 | 4.6 | -103.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 818 | S | 27.9 | Very low | 30.7 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | 56.3 | 135 | 149.4 | -58 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 819 | P | 36.4 | Very low | 30.8 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | -148.9 | 176.6 | 79.9 | 41.5 | -24.5 | 0 | 0 | 0 | 117.3 | |||||
| 820 | S | 29.9 | Very low | 30.5 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 69.7 | 133.2 | 161.4 | -58.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 821 | P | 31.3 | Very low | 30.6 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 136.8 | -179.5 | 34.8 | -33.4 | 0 | 0 | 0 | 113.6 | ||
| 822 | P | 32.4 | Very low | 30.2 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 168.8 | 173 | 36.9 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 823 | Y | 25.5 | Very low | 30.1 | Very low | 231 Ų | 231 | 147.9 Ų | 147.9 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 145.7 | 171.6 | -81.2 | -107.1 | 0 | 0 | 0 | 112.9 | ||
| 824 | Q | 32.1 | Very low | 29.8 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -120.6 | 124 | 157 | -76.3 | -168.4 | -18.4 | 0 | 0 | 110.2 | ||||
| 825 | Q | 28.2 | Very low | 29.6 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -91.1 | 137.3 | 156.5 | -71 | -178.7 | -10.4 | 0 | 0 | 108.7 | ||||
| 826 | Q | 32.6 | Very low | 29.5 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -130.5 | 117.3 | 154.3 | -72.7 | -168.3 | -6.6 | 0 | 0 | 108.3 | ||||
| 827 | N | 27.1 | Very low | 29 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 141.1 | 170.2 | -73.3 | -47.3 | 0 | 0 | 0 | 109.5 | ||||
| 828 | H | 28.9 | Very low | 28.7 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | -173.9 | 142.4 | 121.8 | -103.7 | 44.5 | 0 | 0 | 0 | 114.6 | |||||
| 829 | H | 29.4 | Very low | 28.6 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | 80.2 | 121.2 | 159.8 | -74.5 | 59.4 | 0 | 0 | 0 | 122 | ||||
| 830 | Y | 26.2 | Very low | 28 | Very low | 205 Ų | 205 | 159.6 Ų | 159.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -6.3 | 144.3 | 150.7 | -61.7 | -92.7 | 0 | 0 | 0 | 118.4 | ||||
| 831 | H | 27.7 | Very low | 27.8 | Very low | 180 Ų | 180 | 158.7 Ų | 158.7 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | cis | -158.3 | 172.2 | 45.6 | -143.7 | 49.4 | 0 | 0 | 0 | 111.7 | ||||
| 832 | P | 30.3 | Very low | 27.6 | Very low | 90 Ų | 90 | 159.2 Ų | 159.2 | 58% | 0.584 | 77% | 0.772 | S | S | * | * | trans | -106.2 | 176.1 | -162.3 | 39.7 | -34.8 | 0 | 0 | 0 | 118.1 | ||||
| 833 | H | 26.1 | Very low | 27.3 | Very low | 166 Ų | 166 | 161.6 Ų | 161.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 75.5 | 145.9 | 175.3 | -65.3 | -77.9 | 0 | 0 | 0 | 116.9 | ||||
| 834 | N | 28.8 | Very low | 27.4 | Very low | 117 Ų | 117 | 156.1 Ų | 156.1 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | cis | -149.8 | 158.8 | 5.9 | -134.3 | 1.9 | 0 | 0 | 0 | 114.9 | ||||
| 835 | H | 26.4 | Very low | 27.5 | Very low | 152 Ų | 152 | 151 Ų | 151 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | trans | 28.6 | 118.8 | 162.7 | -67.1 | -64.6 | 0 | 0 | 0 | 122.9 | ||||
| 836 | S | 27.8 | Very low | 27.5 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | -147.5 | 143.6 | 115.1 | -171 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 837 | K | 23.2 | Very low | 27.5 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | trans | -118.9 | 101.6 | -178.9 | -86 | -170.5 | 174.5 | -175.5 | 0 | 110.8 | ||||
| 838 | H | 25.7 | Very low | 27.7 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | trans | -144.7 | 91.5 | 155 | -86.9 | -69.5 | 0 | 0 | 0 | 109.4 | ||||
| 839 | H | 25.8 | Very low | 27.7 | Very low | 179 Ų | 179 | 140 Ų | 140 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | trans | -120.3 | 115 | 165.4 | -110.7 | -65.5 | 0 | 0 | 0 | 107.9 | P841 | H839-P841 WeakPolarHBondContact O-CD 3.47Š| ||
| 840 | Y | 22.6 | Very low | 27.6 | Very low | 216 Ų | 216 | 138.3 Ų | 138.3 | 85% | 0.847 | 69% | 0.685 | S | S | * | * | trans | -88.7 | 110.8 | 149.5 | -74.7 | -89.4 | 0 | 0 | 0 | 106.4 | ||||
| 841 | P | 26.9 | Very low | 27.6 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 58% | 0.584 | 68% | 0.684 | S | S | * | * | trans | -79.6 | 117.2 | 160.9 | 31.4 | -28 | 0 | 0 | 0 | 108 | H839 E843 | H839-P841 WeakPolarHBondContact O-CD 3.47Å; P841-E843 VanDerWaalsContact C-N 3.29Å; P841-E843 HydrophobicContact CB-CG 4.33Å; P841-E843 HydrophobicContact CG-CG 4.41Å; P841-E843 PolarHBondContact O-N 3.47Å | ||
| 842 | T | 25.3 | Very low | 27.4 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 69% | 0.687 | S | S | * | * | trans | -70.6 | 95.3 | 155.3 | 47.1 | 0 | 0 | 0 | 0 | 106.6 | N844 | T842-N844 PolarHBondContact O-N 3.42Š| ||
| 843 | E | 26.7 | Very low | 27.1 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | -61.9 | 132.7 | -177.2 | -67.6 | -167.3 | 148.2 | 0 | 0 | 111 | P841 I845 | P841-E843 VanDerWaalsContact C-N 3.29Å; P841-E843 HydrophobicContact CB-CG 4.33Å; P841-E843 HydrophobicContact CG-CG 4.41Å; P841-E843 PolarHBondContact O-N 3.47Å; E843-I845 PolarHBondContact O-N 2.87Å | ||
| 844 | N | 28 | Very low | 27 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | -88.7 | 97.5 | -171 | -164.1 | 0.2 | 0 | 0 | 0 | 109.6 | T842 N846 T847 | T842-N844 PolarHBondContact O-N 3.42Å; N844-N846 PolarHBondContact O-N 3.35Å; N844-T847 PolarHBondContact O-N 2.99Å; N844-T847 PolarHBondContact O-OG1 3.25Å | ||
| 845 | I | 33.6 | Very low | 26.9 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 34% | 0.344 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -55.8 | -22.3 | -172.3 | -70.4 | 174 | 0 | 0 | 0 | 113.1 | E843 T847 R948 | E843-I845 PolarHBondContact O-N 2.87Å; I845-T847 PolarHBondContact O-N 3.18Å; I845-T847 VanDerWaalsContact O-N 3.1Å; I845-R948 HydrophobicContact CD1-CG 4.47Å |
| 846 | N | 29.3 | Very low | 26.6 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 39% | 0.385 | 71% | 0.714 | S | S | . | * | G | 310 helix | trans | -64.8 | -12.4 | -176 | -69.1 | 17 | 0 | 0 | 0 | 115.2 | N844 E908 | N844-N846 PolarHBondContact O-N 3.35Å; N846-E908 PolarHBondContact ND2-OE2 3.46Å; N846-E908 VanDerWaalsContact ND2-OE2 3.12Å |
| 847 | T | 32 | Very low | 26.6 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 59% | 0.589 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -79.7 | -16.3 | -171.6 | -42.2 | 0 | 0 | 0 | 0 | 115.3 | N844 I845 | N844-T847 PolarHBondContact O-N 2.99Å; N844-T847 PolarHBondContact O-OG1 3.25Å; I845-T847 PolarHBondContact O-N 3.18Å; I845-T847 VanDerWaalsContact O-N 3.1Å |
| 848 | Y | 30.5 | Very low | 26.7 | Very low | 199 Ų | 199 | 144 Ų | 144 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -102.2 | -1.3 | -167.2 | -79.6 | -80 | 0 | 0 | 0 | 116.9 | ||
| 849 | L | 30 | Very low | 26.8 | Very low | 63 Ų | 63 | 140.8 Ų | 140.8 | 33% | 0.33 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -120.2 | -0.9 | -176 | -74.1 | 169.4 | 0 | 0 | 0 | 115 | F910 Y964 | L849-F910 HydrophobicContact CD1-CE2 4Å; L849-F910 HydrophobicContact CD1-CZ 3.67Å; L849-Y964 HydrophobicContact CD2-CE1 4.15Å |
| 850 | T | 26.1 | Very low | 26.7 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | trans | -108.5 | 47.3 | -174.5 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 851 | V | 26.7 | Very low | 27 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 78% | 0.782 | 70% | 0.695 | S | S | * | * | trans | -125.6 | 75.7 | 171.6 | -170 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 852 | K | 24.2 | Very low | 26.9 | Very low | 204 Ų | 204 | 136.2 Ų | 136.2 | 89% | 0.887 | 71% | 0.706 | S | S | * | * | trans | -143.6 | 50.1 | 166.9 | -131.3 | 178.4 | -169.3 | 176.8 | 0 | 113.6 | ||||
| 853 | Q | 23.6 | Very low | 27.1 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -159.1 | 139.2 | 155.9 | -108.5 | 158.9 | 40.2 | 0 | 0 | 109.6 | ||
| 854 | N | 23.5 | Very low | 27.2 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | trans | 61.1 | 91.7 | 174 | -51.9 | -20.3 | 0 | 0 | 0 | 116.8 | ||||
| 855 | N | 26.7 | Very low | 27.2 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 69% | 0.691 | S | S | * | * | -175.1 | 116 | 101.2 | -88.6 | -16.3 | 0 | 0 | 0 | 111.4 | |||||
| 856 | D | 21.1 | Very low | 26.9 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -74.7 | 132.3 | 155.5 | -62 | -69.8 | 0 | 0 | 0 | 109 | ||||
| 857 | Y | 27.3 | Very low | 26.8 | Very low | 226 Ų | 226 | 147.4 Ų | 147.4 | 89% | 0.886 | 74% | 0.737 | S | S | * | * | trans | -166.1 | 145.9 | 132.8 | -112.4 | -71.4 | 0 | 0 | 0 | 111.6 | ||||
| 858 | L | 25.4 | Very low | 26.4 | Very low | 139 Ų | 139 | 149 Ų | 149 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | trans | -82 | 163 | -168.2 | -59.5 | 81.9 | 0 | 0 | 0 | 114.6 | ||||
| 859 | C | 26.4 | Very low | 26.2 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | 71.7 | 148.8 | 140 | -82 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 860 | T | 25.2 | Very low | 26.1 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | cis | -167.4 | 166.8 | -30.1 | 13 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 861 | D | 27.8 | Very low | 26 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 64.5 | 113.7 | 154.3 | -47.8 | -23.3 | 0 | 0 | 0 | 121 | ||||
| 862 | D | 26 | Very low | 26 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | 41.1 | 141.2 | 122.5 | -58.6 | -18.5 | 0 | 0 | 0 | 121.1 | |||||
| 863 | D | 28.4 | Very low | 26.1 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | -167.4 | 166.7 | 52.4 | -169.2 | 15.9 | 0 | 0 | 0 | 113.8 | |||||
| 864 | R | 29 | Very low | 26.3 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | 77.8 | 95.6 | 148.2 | -96.1 | 172.2 | 169.8 | 97 | 0.7 | 124.2 | ||||
| 865 | Q | 28.7 | Very low | 26.5 | Very low | 137 Ų | 137 | 143 Ų | 143 | 64% | 0.64 | 77% | 0.772 | S | S | * | * | 68.8 | 116.9 | 110 | -71.3 | 176.7 | -10.9 | 0 | 0 | 123.1 | |||||
| 866 | Q | 26.3 | Very low | 26.6 | Very low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | 62.3 | 118.6 | 129.2 | -60.6 | -179.9 | 3.1 | 0 | 0 | 121.2 | |||||
| 867 | Q | 28.6 | Very low | 26.9 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | -162 | 134.5 | 103.5 | -107.2 | 172.5 | 27 | 0 | 0 | 112.6 | |||||
| 868 | S | 22.4 | Very low | 27 | Very low | 130 Ų | 130 | 138 Ų | 138 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -100.5 | 126.8 | 166 | -63.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 869 | G | 26.1 | Very low | 27 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | trans | -136.4 | 128.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 870 | T | 27.7 | Very low | 27.2 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -100.5 | 136 | -167.5 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 871 | I | 25.7 | Very low | 27.3 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | 64.8 | 125.5 | 144.6 | -60.5 | 164.3 | 0 | 0 | 0 | 117.4 | L873 | I871-L873 HydrophobicContact CG2-CD1 3.74Š| ||
| 872 | S | 26.1 | Very low | 27.3 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -138.1 | 123.1 | 134 | -70.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 873 | L | 26.6 | Very low | 27.4 | Very low | 137 Ų | 137 | 138 Ų | 138 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -80.7 | 145 | 162.8 | -88.5 | 68.6 | 0 | 0 | 0 | 107.4 | I871 | I871-L873 HydrophobicContact CG2-CD1 3.74Š| ||
| 874 | D | 27.7 | Very low | 27.3 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -136.5 | 120.4 | 147.6 | -131.9 | -22.9 | 0 | 0 | 0 | 108.1 | ||||
| 875 | N | 26.3 | Very low | 27.3 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -114.3 | 118.7 | 179.3 | -98.9 | -5.2 | 0 | 0 | 0 | 107.5 | ||||
| 876 | T | 30.5 | Very low | 27.1 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | trans | -125.2 | 122.1 | 156.5 | 30.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 877 | T | 27.5 | Very low | 27.2 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -79.6 | 150.7 | 174.9 | 46.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 878 | D | 29.4 | Very low | 27 | Very low | 165 Ų | 165 | 131 Ų | 131 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -144.8 | 143.1 | 137.9 | -143.8 | -9.9 | 0 | 0 | 0 | 110.4 | ||||
| 879 | D | 25.1 | Very low | 27.3 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -92.7 | 143.3 | -175.1 | -83.6 | -55.6 | 0 | 0 | 0 | 111.3 | ||||
| 880 | T | 31 | Very low | 27.3 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -149.3 | 111.1 | 153.6 | 18.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 881 | V | 25.8 | Very low | 27.2 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -96.4 | 118.3 | 171.2 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 882 | A | 28.6 | Very low | 27.2 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | -150.5 | 93.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 883 | T | 27.1 | Very low | 27.3 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | trans | 44.6 | 85.9 | 135.2 | -40.8 | 0 | 0 | 0 | 0 | 119.4 | T885 | T883-T885 PolarHBondContact O-N 3.23Å; T883-T885 VanDerWaalsContact O-N 3.15Å | ||
| 884 | S | 27.7 | Very low | 27.3 | Very low | 134 Ų | 134 | 129 Ų | 129 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -63.6 | 109.6 | 159.7 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 885 | T | 29.5 | Very low | 27.2 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -103.7 | 130.4 | 176 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | T883 T887 | T883-T885 PolarHBondContact O-N 3.23Å; T883-T885 VanDerWaalsContact O-N 3.15Å; T885-T887 PolarHBondContact O-N 3.43Å | ||
| 886 | T | 24.3 | Very low | 27.2 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -79.8 | 109.8 | -178.4 | 32.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 887 | T | 28 | Very low | 27 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -122.8 | 108.6 | 166.2 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | T885 T889 | T885-T887 PolarHBondContact O-N 3.43Å; T887-T889 PolarHBondContact O-N 2.99Å | ||
| 888 | T | 24.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 104.3 | 175.2 | 41.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 889 | T | 28 | Very low | 26.6 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -110 | 107 | 166.3 | 51.5 | 0 | 0 | 0 | 0 | 110 | T887 T891 | T887-T889 PolarHBondContact O-N 2.99Å; T889-T891 PolarHBondContact O-N 3.28Å; T889-T891 VanDerWaalsContact O-N 3.1Å | ||
| 890 | T | 25.4 | Very low | 26.6 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | trans | -68.4 | 101.4 | 174.3 | 43.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 891 | T | 27 | Very low | 26.3 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -108.4 | 116.8 | 169.4 | -55.3 | 0 | 0 | 0 | 0 | 108.8 | T889 A893 | T889-T891 PolarHBondContact O-N 3.28Å; T889-T891 VanDerWaalsContact O-N 3.1Å; T891-A893 PolarHBondContact O-N 3.1Å | ||
| 892 | T | 25.7 | Very low | 26.3 | Very low | 142 Ų | 142 | 124.7 Ų | 124.7 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | -72 | 92.1 | 177.8 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | G894 | T892-G894 PolarHBondContact O-N 3.25Š| ||
| 893 | A | 28.4 | Very low | 26.2 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -67.7 | 114 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | T891 | T891-A893 PolarHBondContact O-N 3.1Š| ||
| 894 | G | 25.2 | Very low | 26.4 | Very low | 69 Ų | 69 | 126.2 Ų | 126.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -69.3 | 136.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T892 P896 | T892-G894 PolarHBondContact O-N 3.25Å; G894-P896 WeakPolarHBondContact O-CD 3.47Å | ||
| 895 | V | 25.4 | Very low | 26.7 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -60.8 | 123.8 | 169.9 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | V897 | V895-V897 PolarHBondContact O-N 2.87Š| ||
| 896 | P | 27 | Very low | 27 | Very low | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -70.6 | 102.2 | 176 | 28.3 | -32.7 | 0 | 0 | 0 | 109.1 | G894 R898 | G894-P896 WeakPolarHBondContact O-CD 3.47Å; P896-R898 PolarHBondContact O-N 3.35Å | ||
| 897 | V | 25.8 | Very low | 27.9 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -63.3 | 101.2 | 172.1 | 178.5 | 0 | 0 | 0 | 0 | 108 | V895 T899 | V895-V897 PolarHBondContact O-N 2.87Å; V897-T899 PolarHBondContact O-N 3.33Å | ||
| 898 | R | 24.7 | Very low | 28.4 | Very low | 239 Ų | 239 | 121.8 Ų | 121.8 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | trans | -63.7 | 108 | 177.2 | -169.7 | 177.3 | -174.7 | -179 | 1.3 | 108.4 | P896 S900 | P896-R898 PolarHBondContact O-N 3.35Å; R898-S900 PolarHBondContact O-N 3.44Å | ||
| 899 | T | 24.9 | Very low | 29.4 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | trans | -57.8 | 125.6 | -179.7 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | V897 T901 | V897-T899 PolarHBondContact O-N 3.33Å; T899-T901 PolarHBondContact O-N 3Å | ||
| 900 | S | 24.1 | Very low | 30.4 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | trans | -73.7 | 93.3 | -177.3 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | R898 | R898-S900 PolarHBondContact O-N 3.44Š| ||
| 901 | T | 25.8 | Very low | 31.8 | Very low | 89 Ų | 89 | 118.7 Ų | 118.7 | 55% | 0.546 | 69% | 0.689 | S | S | . | * | trans | -68.8 | 144.2 | 158.6 | 34.2 | 0 | 0 | 0 | 0 | 110 | T899 D903 | T899-T901 PolarHBondContact O-N 3Å; T901-D903 VanDerWaalsContact CB-OD2 3.22Å; T901-D903 WeakPolarHBondContact CB-OD2 3.3Å; T901-D903 PolarHBondContact O-N 3.3Å; T901-D903 PolarHBondContact OG1-OD2 3.49Å | ||
| 902 | P | 24.7 | Very low | 33.6 | Very low | 129 Ų | 129 | 113.6 Ų | 113.6 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | trans | -81.9 | 53.9 | 177.2 | 36.3 | -36.3 | 0 | 0 | 0 | 110.6 | T904 | P902-T904 PolarHBondContact O-N 3.12Å; P902-T904 VanDerWaalsContact O-N 3.15Å | ||
| 903 | D | 27.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 109 Ų | 109 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | trans | -71.1 | 110.8 | 178.4 | -61 | -47.3 | 0 | 0 | 0 | 108.8 | T901 E905 | T901-D903 VanDerWaalsContact CB-OD2 3.22Å; T901-D903 WeakPolarHBondContact CB-OD2 3.3Å; T901-D903 PolarHBondContact O-N 3.3Å; T901-D903 PolarHBondContact OG1-OD2 3.49Å; D903-E905 PolarHBondContact O-N 2.98Å | ||
| 904 | T | 29.7 | Very low | 37.4 | Very low | 120 Ų | 120 | 109.1 Ų | 109.1 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | trans | -55.9 | 124.3 | 166.7 | 33.3 | 0 | 0 | 0 | 0 | 108.9 | P902 V906 | P902-T904 PolarHBondContact O-N 3.12Å; P902-T904 VanDerWaalsContact O-N 3.15Å; T904-V906 PolarHBondContact O-N 2.79Å | ||
| 905 | E | 34.4 | Very low | 39.5 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | trans | -65.2 | 76.5 | 167.6 | -78.4 | 176.1 | -143.8 | 0 | 0 | 109.4 | D903 D907 R938 R1097 | D903-E905 PolarHBondContact O-N 2.98Å; E905-D907 PolarHBondContact O-N 3.01Å; E905-R938 WeakPolarHBondContact OE1-CD 3.44Å; E905-R938 IonicContact OE1-CZ 3.73Å; E905-R938 IonicContact OE1-NE 3.97Å; E905-R938 IonicContact OE1-NH1 2.74Å; E905-R938 PolarHBondContact OE1-NH1 3Å; E905-R1097 IonicContact OE2-NH2 3.58Å | ||
| 906 | V | 35.9 | Very low | 41.6 | Very low | 105 Ų | 105 | 107.3 Ų | 107.3 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | trans | -76.9 | 68 | 155.1 | -163.9 | 0 | 0 | 0 | 0 | 106.5 | T904 E908 | T904-V906 PolarHBondContact O-N 2.79Å; V906-E908 HydrophobicContact CG1-CG 3.73Å; V906-E908 PolarHBondContact O-N 3.02Å | ||
| 907 | D | 44 | Very low | 43 | Very low | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.444 | 57% | 0.572 | S | S | . | * | trans | -57.5 | 92.7 | 139.6 | -87.8 | 33.7 | 0 | 0 | 0 | 103.8 | E905 E909 R1097 | E905-D907 PolarHBondContact O-N 3.01Å; D907-E909 PolarHBondContact O-N 3.45Å; D907-E909 VanDerWaalsContact O-N 3.16Å; D907-R1097 VanDerWaalsContact CG-NH2 3.28Å; D907-R1097 IonicContact OD1-NH2 3.98Å; D907-R1097 IonicContact OD2-CZ 3.44Å; D907-R1097 IonicContact OD2-NH1 2.67Å; D907-R1097 PolarHBondContact OD2-NH1 3.47Å; D907-R1097 IonicContact OD2-NH2 3.53Å; D907-R1097 PolarHBondContact OD2-NH2 3.48Å | ||
| 908 | E | 38.8 | Very low | 44.9 | Very low | 132 Ų | 132 | 105 Ų | 105 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | trans | -50.4 | 126.4 | 168.4 | -69.4 | -173.7 | 134.9 | 0 | 0 | 106.1 | N846 V906 F910 | N846-E908 PolarHBondContact ND2-OE2 3.46Å; N846-E908 VanDerWaalsContact ND2-OE2 3.12Å; V906-E908 HydrophobicContact CG1-CG 3.73Å; V906-E908 PolarHBondContact O-N 3.02Å; E908-F910 PolarHBondContact O-N 3.25Å | ||
| 909 | E | 45.1 | Very low | 47.5 | Very low | 121 Ų | 121 | 94.5 Ų | 94.5 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | trans | -69.3 | 86.7 | -177.4 | -174.3 | 163.5 | -157.7 | 0 | 0 | 107.9 | D907 N911 L1102 | D907-E909 PolarHBondContact O-N 3.45Å; D907-E909 VanDerWaalsContact O-N 3.16Å; E909-N911 PolarHBondContact O-N 2.87Å; E909-L1102 WeakPolarHBondContact OE2-CD1 3.47Å; E909-L1102 WeakPolarHBondContact OE2-CD2 3.29Å; E909-L1102 WeakPolarHBondContact OE2-CG 3.16Å | ||
| 910 | F | 48.4 | Very low | 50 | Low | 74 Ų | 74 | 90.9 Ų | 90.9 | 33% | 0.325 | 50% | 0.502 | S | S | . | . | trans | -52.5 | 111.1 | 179 | 179 | -86.8 | 0 | 0 | 0 | 106.4 | L849 E908 F912 | L849-F910 HydrophobicContact CD1-CE2 4Å; L849-F910 HydrophobicContact CD1-CZ 3.67Å; E908-F910 PolarHBondContact O-N 3.25Å; F910-F912 HydrophobicContact CD1-CB 4.01Å; F910-F912 AromaticContact CD1-CD2 3.66Å; F910-F912 HydrophobicContact CD1-CD2 3.66Å; F910-F912 HydrophobicContact CD1-CG 4.14Å; F910-F912 HydrophobicContact CE1-CB 4.3Å; F910-F912 AromaticContact CE1-CD2 3.71Å; F910-F912 HydrophobicContact CE1-CD2 3.71Å; F910-F912 HydrophobicContact CE1-CE2 4.28Å; F910-F912 HydrophobicContact CE1-CG 4.11Å; F910-F912 PolarHBondContact O-N 3.21Å | ||
| 911 | N | 54.9 | Low | 52.8 | Low | 149 Ų | 149 | 85.2 Ų | 85.2 | 80% | 0.797 | 46% | 0.462 | S | S | * | . | trans | -72.2 | 75.9 | -173.7 | -173.1 | 26.4 | 0 | 0 | 0 | 108.6 | E909 P913 | E909-N911 PolarHBondContact O-N 2.87Å; N911-P913 WeakPolarHBondContact O-CD 3.17Å; N911-P913 VanDerWaalsContact O-N 3.13Å | ||
| 912 | F | 65.7 | Low | 55.7 | Low | 15 Ų | 15 | 81 Ų | 81 | 7% | 0.066 | 44% | 0.437 | C | S | . | . | trans | -61.9 | 115.3 | -168.2 | -154.4 | -72.5 | 0 | 0 | 0 | 107.4 | F910 P914 M922 A925 H926 H929 A950 A954 | F910-F912 HydrophobicContact CD1-CB 4.01Å; F910-F912 AromaticContact CD1-CD2 3.66Å; F910-F912 HydrophobicContact CD1-CD2 3.66Å; F910-F912 HydrophobicContact CD1-CG 4.14Å; F910-F912 HydrophobicContact CE1-CB 4.3Å; F910-F912 AromaticContact CE1-CD2 3.71Å; F910-F912 HydrophobicContact CE1-CD2 3.71Å; F910-F912 HydrophobicContact CE1-CE2 4.28Å; F910-F912 HydrophobicContact CE1-CG 4.11Å; F910-F912 PolarHBondContact O-N 3.21Å; F912-P914 VanDerWaalsContact O-N 3.17Å; F912-M922 HydrophobicContact CE1-SD 4.18Å; F912-A925 HydrophobicContact CE1-CB 4.09Å; F912-A925 HydrophobicContact CZ-CB 3.97Å; F912-H926 HydrophobicContact CD1-CB 4.15Å; F912-H926 AromaticContact CD1-CD2 3.98Å; F912-H926 HydrophobicContact CE1-CB 4.02Å; F912-H929 HydrophobicContact CD2-CB 3.78Å; F912-H929 AromaticContact CD2-CD2 3.69Å; F912-H929 AromaticContact CD2-CE1 3.87Å; F912-H929 AromaticContact CD2-CG 3.32Å; F912-H929 AromaticContact CD2-ND1 3.45Å; F912-H929 WeakPolarHBondContact CD2-ND1 3.45Å; F912-H929 HydrophobicContact CE1-CB 4.35Å; F912-H929 HydrophobicContact CE2-CB 3.6Å; F912-H929 AromaticContact CE2-CG 3.62Å; F912-H929 AromaticContact CE2-ND1 3.74Å; F912-H929 HydrophobicContact CG-CB 4.23Å; F912-H929 AromaticContact CG-CD2 3.85Å; F912-H929 AromaticContact CG-CG 3.86Å; F912-H929 HydrophobicContact CZ-CB 3.9Å; F912-A950 HydrophobicContact CE2-CB 4.38Å; F912-A950 HydrophobicContact CZ-CB 4.46Å; F912-A954 HydrophobicContact CE1-CB 3.97Å; F912-A954 HydrophobicContact CE2-CB 4.49Å; F912-A954 HydrophobicContact CZ-CB 3.72Å | ||
| 913 | P | 65.8 | Low | 58.2 | Low | 44 Ų | 44 | 75.5 Ų | 75.5 | 29% | 0.286 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 125.1 | -165.5 | 20.7 | -32 | 0 | 0 | 0 | 109.6 | N911 M922 | N911-P913 WeakPolarHBondContact O-CD 3.17Å; N911-P913 VanDerWaalsContact O-N 3.13Å; P913-M922 HydrophobicContact CG-CE 3.85Å; P913-M922 HydrophobicContact CG-SD 3.92Å |
| 914 | P | 67 | Low | 60.7 | Low | 99 Ų | 99 | 70.1 Ų | 70.1 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 131 | 179.3 | 25.3 | -33.1 | 0 | 0 | 0 | 108.5 | F912 E916 | F912-P914 VanDerWaalsContact O-N 3.17Å; P914-E916 PolarHBondContact O-N 3.47Å |
| 915 | P | 70.4 | Confident | 63.5 | Low | 21 Ų | 21 | 64.4 Ų | 64.4 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 125.7 | -176.3 | 27.6 | -35.2 | 0 | 0 | 0 | 110.5 | M922 A923 H926 | P915-M922 HydrophobicContact CB-CB 4.18Å; P915-M922 HydrophobicContact CB-CG 4.06Å; P915-A923 HydrophobicContact CB-CB 4.02Å; P915-A923 HydrophobicContact CG-CB 4.27Å; P915-H926 HydrophobicContact CG-CB 4.3Å |
| 916 | E | 69 | Low | 65.8 | Low | 137 Ų | 137 | 62.2 Ų | 62.2 | 64% | 0.64 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 159.9 | 165.6 | -56 | 174.7 | 154.2 | 0 | 0 | 110.3 | P914 N918 Q919 | P914-E916 PolarHBondContact O-N 3.47Å; E916-N918 PolarHBondContact O-N 2.91Å; E916-N918 VanDerWaalsContact O-N 3.12Å; E916-Q919 HydrophobicContact CB-CG 3.98Å; E916-Q919 VanDerWaalsContact CD-NE2 3.29Å; E916-Q919 WeakPolarHBondContact O-CB 3.4Å; E916-Q919 PolarHBondContact O-N 3.31Å; E916-Q919 PolarHBondContact OE2-NE2 2.77Å |
| 917 | E | 55 | Low | 67.8 | Low | 93 Ų | 93 | 57.4 Ų | 57.4 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.5 | -168.3 | -145.4 | 157.5 | -134.2 | 0 | 0 | 113.4 | H261 | H261-E917 WeakPolarHBondContact CE1-CG 3.36Å; H261-E917 IonicContact CE1-OE1 3.32Å; H261-E917 PolarHBondContact CE1-OE1 3.28Å; H261-E917 IonicContact CE1-OE2 2.67Å; H261-E917 PolarHBondContact CE1-OE2 2.92Å |
| 918 | N | 67.4 | Low | 69.8 | Low | 107 Ų | 107 | 53.5 Ų | 53.5 | 57% | 0.572 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 18.2 | 177 | -65.9 | -27 | 0 | 0 | 0 | 114.2 | E916 P920 | E916-N918 PolarHBondContact O-N 2.91Å; E916-N918 VanDerWaalsContact O-N 3.12Å; N918-P920 VanDerWaalsContact C-CD 3.4Å; N918-P920 WeakPolarHBondContact O-CD 3.48Å |
| 919 | Q | 78.1 | Confident | 72 | Confident | 18 Ų | 18 | 49 Ų | 49 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | trans | -114.4 | 70.1 | -176.3 | -58.4 | -169 | 22.8 | 0 | 0 | 113.7 | E916 I921 M922 A923 R961 | E916-Q919 HydrophobicContact CB-CG 3.98Å; E916-Q919 VanDerWaalsContact CD-NE2 3.29Å; E916-Q919 WeakPolarHBondContact O-CB 3.4Å; E916-Q919 PolarHBondContact O-N 3.31Å; E916-Q919 PolarHBondContact OE2-NE2 2.77Å; Q919-I921 PolarHBondContact O-N 2.64Å; Q919-M922 HydrophobicContact CB-CB 3.88Å; Q919-M922 PolarHBondContact O-N 2.93Å; Q919-A923 PolarHBondContact O-N 3.34Å; Q919-R961 VanDerWaalsContact CD-NH2 3.32Å; Q919-R961 VanDerWaalsContact CG-NH1 3.3Å | ||
| 920 | P | 77.6 | Confident | 73.7 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -30.7 | -170.3 | 24.8 | -35.1 | 0 | 0 | 0 | 115.3 | N918 A924 V1060 Q1064 | N918-P920 VanDerWaalsContact C-CD 3.4Å; N918-P920 WeakPolarHBondContact O-CD 3.48Å; P920-A924 PolarHBondContact O-N 2.98Å; P920-V1060 HydrophobicContact CB-CG1 3.64Å; P920-V1060 HydrophobicContact CG-CG1 3.62Å; P920-V1060 HydrophobicContact CG-CG2 4.11Å; P920-Q1064 VanDerWaalsContact CB-NE2 3.29Å; P920-Q1064 PolarHBondContact O-NE2 3.03Å |
| 921 | I | 84.3 | Confident | 75.1 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -75.8 | -43.2 | 176.1 | -56.6 | 178.2 | 0 | 0 | 0 | 110.3 | Q919 A923 A924 A925 M953 V960 V1060 A1063 | Q919-I921 PolarHBondContact O-N 2.64Å; I921-A923 VanDerWaalsContact C-N 3.28Å; I921-A923 PolarHBondContact O-N 3.41Å; I921-A924 WeakPolarHBondContact O-CB 3.36Å; I921-A924 PolarHBondContact O-N 3.01Å; I921-A924 VanDerWaalsContact O-N 3.12Å; I921-A925 PolarHBondContact O-N 3.09Å; I921-M953 HydrophobicContact CG2-CG 3.8Å; I921-M953 HydrophobicContact CG2-SD 3.46Å; I921-M953 WeakPolarHBondContact CG2-SD 3.32Å; I921-V960 HydrophobicContact CD1-CB 4.46Å; I921-V960 HydrophobicContact CD1-CG1 4.27Å; I921-V960 HydrophobicContact CD1-CG2 4.41Å; I921-V1060 HydrophobicContact CD1-CG2 3.91Å; I921-V1060 HydrophobicContact CG1-CB 4.4Å; I921-V1060 HydrophobicContact CG1-CG2 3.89Å; I921-A1063 HydrophobicContact CD1-CB 4.47Å; I921-A1063 HydrophobicContact CG1-CB 4.21Å; I921-A1063 HydrophobicContact CG2-CB 4.18Å |
| 922 | M | 85.2 | Confident | 76.6 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -38.2 | 174.3 | -167.9 | 61.3 | 77.8 | 0 | 0 | 111.6 | F912 P913 P915 Q919 A924 A925 H926 A954 S957 Q958 | F912-M922 HydrophobicContact CE1-SD 4.18Å; P913-M922 HydrophobicContact CG-CE 3.85Å; P913-M922 HydrophobicContact CG-SD 3.92Å; P915-M922 HydrophobicContact CB-CB 4.18Å; P915-M922 HydrophobicContact CB-CG 4.06Å; Q919-M922 HydrophobicContact CB-CB 3.88Å; Q919-M922 PolarHBondContact O-N 2.93Å; M922-A924 VanDerWaalsContact C-N 3.32Å; M922-A924 PolarHBondContact O-N 2.84Å; M922-A925 PolarHBondContact O-N 3.42Å; M922-H926 VanDerWaalsContact O-CB 3.28Å; M922-H926 WeakPolarHBondContact O-CB 3.43Å; M922-H926 PolarHBondContact O-N 2.83Å; M922-A954 HydrophobicContact CE-CB 4.03Å; M922-A954 WeakPolarHBondContact CE-O 3.41Å; M922-A954 HydrophobicContact SD-CB 3.64Å; M922-S957 PolarHBondContact N-OG 2.92Å; M922-Q958 HydrophobicContact CE-CG 3.77Å |
| 923 | A | 77.4 | Confident | 77.4 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P915 Q919 I921 A927 | P915-A923 HydrophobicContact CB-CB 4.02Å; P915-A923 HydrophobicContact CG-CB 4.27Å; Q919-A923 PolarHBondContact O-N 3.34Å; I921-A923 VanDerWaalsContact C-N 3.28Å; I921-A923 PolarHBondContact O-N 3.41Å; A923-A927 WeakPolarHBondContact O-CB 3.34Å; A923-A927 PolarHBondContact O-N 3.49Å |
| 924 | A | 81.1 | Confident | 78.1 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.1 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P920 I921 M922 A927 L928 Q1064 M1067 | P920-A924 PolarHBondContact O-N 2.98Å; I921-A924 WeakPolarHBondContact O-CB 3.36Å; I921-A924 PolarHBondContact O-N 3.01Å; I921-A924 VanDerWaalsContact O-N 3.12Å; M922-A924 VanDerWaalsContact C-N 3.32Å; M922-A924 PolarHBondContact O-N 2.84Å; A924-A927 WeakPolarHBondContact O-CB 3.37Å; A924-A927 PolarHBondContact O-N 2.78Å; A924-L928 PolarHBondContact O-N 3.44Å; A924-L928 VanDerWaalsContact O-N 3.15Å; A924-Q1064 HydrophobicContact CB-CG 4.03Å; A924-M1067 HydrophobicContact CB-CB 4Å; A924-M1067 HydrophobicContact CB-CG 3.86Å |
| 925 | A | 87.8 | Confident | 79 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F912 I921 M922 A927 L928 H929 M953 A954 | F912-A925 HydrophobicContact CE1-CB 4.09Å; F912-A925 HydrophobicContact CZ-CB 3.97Å; I921-A925 PolarHBondContact O-N 3.09Å; M922-A925 PolarHBondContact O-N 3.42Å; A925-A927 VanDerWaalsContact C-N 3.32Å; A925-A927 PolarHBondContact O-N 2.92Å; A925-L928 PolarHBondContact O-N 3.07Å; A925-H929 WeakPolarHBondContact O-CB 3.38Å; A925-H929 PolarHBondContact O-N 3.17Å; A925-M953 HydrophobicContact CB-CB 3.86Å; A925-M953 HydrophobicContact CB-CG 3.93Å; A925-A954 HydrophobicContact CB-CB 4.17Å |
| 926 | H | 82.2 | Confident | 79.7 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 22% | 0.218 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.1 | -33.7 | 176.5 | -179.7 | -105.2 | 0 | 0 | 0 | 112 | F912 P915 M922 H929 H930 | F912-H926 HydrophobicContact CD1-CB 4.15Å; F912-H926 AromaticContact CD1-CD2 3.98Å; F912-H926 HydrophobicContact CE1-CB 4.02Å; P915-H926 HydrophobicContact CG-CB 4.3Å; M922-H926 VanDerWaalsContact O-CB 3.28Å; M922-H926 WeakPolarHBondContact O-CB 3.43Å; M922-H926 PolarHBondContact O-N 2.83Å; H926-H929 PolarHBondContact O-N 2.88Å; H926-H930 WeakPolarHBondContact O-CB 3.43Å; H926-H930 PolarHBondContact O-N 3.06Å |
| 927 | A | 77.8 | Confident | 80.5 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -51.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L266 A923 A924 A925 H929 H930 E931 I1071 | L266-A927 HydrophobicContact CD1-CB 4.21Å; A923-A927 WeakPolarHBondContact O-CB 3.34Å; A923-A927 PolarHBondContact O-N 3.49Å; A924-A927 WeakPolarHBondContact O-CB 3.37Å; A924-A927 PolarHBondContact O-N 2.78Å; A925-A927 VanDerWaalsContact C-N 3.32Å; A925-A927 PolarHBondContact O-N 2.92Å; A927-H929 VanDerWaalsContact C-N 3.32Å; A927-H929 PolarHBondContact O-N 3.14Å; A927-H930 PolarHBondContact O-N 3.45Å; A927-E931 PolarHBondContact O-N 3.04Å; A927-I1071 HydrophobicContact CB-CD1 4.1Å |
| 928 | L | 86.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 177.8 | 179.8 | 61.9 | 0 | 0 | 0 | 111.6 | A924 A925 E931 T932 M949 A950 M1067 V1070 I1071 L1074 | A924-L928 PolarHBondContact O-N 3.44Å; A924-L928 VanDerWaalsContact O-N 3.15Å; A925-L928 PolarHBondContact O-N 3.07Å; L928-E931 PolarHBondContact O-N 3.17Å; L928-T932 HydrophobicContact CD1-CG2 3.76Å; L928-T932 HydrophobicContact CG-CG2 4.17Å; L928-T932 WeakPolarHBondContact O-CB 3.42Å; L928-T932 VanDerWaalsContact O-CG2 3.27Å; L928-T932 WeakPolarHBondContact O-CG2 3.25Å; L928-T932 PolarHBondContact O-N 2.99Å; L928-T932 PolarHBondContact O-OG1 3.04Å; L928-M949 HydrophobicContact CD2-CB 4.06Å; L928-A950 HydrophobicContact CB-CB 4.21Å; L928-A950 HydrophobicContact CD2-CB 4.11Å; L928-A950 HydrophobicContact CG-CB 4.07Å; L928-M1067 HydrophobicContact CB-SD 4.15Å; L928-M1067 HydrophobicContact CD2-CE 4.1Å; L928-M1067 HydrophobicContact CD2-SD 3.56Å; L928-M1067 VanDerWaalsContact CD2-SD 3.56Å; L928-V1070 HydrophobicContact CD1-CB 4.23Å; L928-V1070 HydrophobicContact CD1-CG1 3.63Å; L928-V1070 HydrophobicContact CD2-CB 4.33Å; L928-V1070 HydrophobicContact CD2-CG1 3.91Å; L928-V1070 HydrophobicContact CG-CG1 4.46Å; L928-I1071 HydrophobicContact CB-CD1 4.44Å; L928-I1071 HydrophobicContact CB-CG1 4.35Å; L928-I1071 HydrophobicContact CD1-CG1 3.74Å; L928-L1074 HydrophobicContact CD1-CD1 4.07Å |
| 929 | H | 86.1 | Confident | 82.2 | Confident | 38 Ų | 38 | 32.2 Ų | 32.2 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 173.7 | -176.6 | 73.5 | 0 | 0 | 0 | 112.4 | F912 A925 H926 A927 E931 T932 R933 A950 | F912-H929 HydrophobicContact CD2-CB 3.78Å; F912-H929 AromaticContact CD2-CD2 3.69Å; F912-H929 AromaticContact CD2-CE1 3.87Å; F912-H929 AromaticContact CD2-CG 3.32Å; F912-H929 AromaticContact CD2-ND1 3.45Å; F912-H929 WeakPolarHBondContact CD2-ND1 3.45Å; F912-H929 HydrophobicContact CE1-CB 4.35Å; F912-H929 HydrophobicContact CE2-CB 3.6Å; F912-H929 AromaticContact CE2-CG 3.62Å; F912-H929 AromaticContact CE2-ND1 3.74Å; F912-H929 HydrophobicContact CG-CB 4.23Å; F912-H929 AromaticContact CG-CD2 3.85Å; F912-H929 AromaticContact CG-CG 3.86Å; F912-H929 HydrophobicContact CZ-CB 3.9Å; A925-H929 WeakPolarHBondContact O-CB 3.38Å; A925-H929 PolarHBondContact O-N 3.17Å; H926-H929 PolarHBondContact O-N 2.88Å; A927-H929 VanDerWaalsContact C-N 3.32Å; A927-H929 PolarHBondContact O-N 3.14Å; H929-E931 VanDerWaalsContact C-N 3.29Å; H929-E931 PolarHBondContact O-N 3.36Å; H929-T932 WeakPolarHBondContact CA-OG1 3.31Å; H929-T932 PolarHBondContact O-N 3.01Å; H929-T932 PolarHBondContact O-OG1 3.38Å; H929-R933 WeakPolarHBondContact O-CB 3.47Å; H929-R933 VanDerWaalsContact O-CG 3.31Å; H929-R933 WeakPolarHBondContact O-CG 3.35Å; H929-R933 PolarHBondContact O-N 2.88Å; H929-A950 HydrophobicContact CB-CB 4.11Å |
| 930 | H | 80.4 | Confident | 82.7 | Confident | 49 Ų | 49 | 31.5 Ų | 31.5 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -38.5 | -179.8 | -163.8 | 122.2 | 0 | 0 | 0 | 112 | H926 A927 R933 | H926-H930 WeakPolarHBondContact O-CB 3.43Å; H926-H930 PolarHBondContact O-N 3.06Å; A927-H930 PolarHBondContact O-N 3.45Å; H930-R933 PolarHBondContact CE1-NH2 3.5Å; H930-R933 PolarHBondContact ND1-NH2 3.04Å; H930-R933 PolarHBondContact NE2-NH2 2.9Å; H930-R933 WeakPolarHBondContact O-CG 3.42Å |
| 931 | E | 78.1 | Confident | 83.4 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.8 | -48.4 | 177.2 | -163.6 | 62.6 | -152.8 | 0 | 0 | 111.6 | A927 L928 H929 R933 L934 I1071 H1075 | A927-E931 PolarHBondContact O-N 3.04Å; L928-E931 PolarHBondContact O-N 3.17Å; H929-E931 VanDerWaalsContact C-N 3.29Å; H929-E931 PolarHBondContact O-N 3.36Å; E931-R933 PolarHBondContact O-N 3.08Å; E931-L934 WeakPolarHBondContact O-CB 3.37Å; E931-L934 WeakPolarHBondContact O-CG 3.35Å; E931-L934 PolarHBondContact O-N 3.23Å; E931-I1071 HydrophobicContact CG-CG2 4.4Å; E931-H1075 VanDerWaalsContact CD-NE2 3.32Å; E931-H1075 IonicContact OE1-CD2 2.78Å; E931-H1075 IonicContact OE1-CE1 3.02Å; E931-H1075 IonicContact OE1-NE2 2.69Å; E931-H1075 PolarHBondContact OE1-NE2 2.93Å |
| 932 | T | 86.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.1 | -27.1 | -174.9 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | L928 H929 L934 W935 T946 K947 L1074 | L928-T932 HydrophobicContact CD1-CG2 3.76Å; L928-T932 HydrophobicContact CG-CG2 4.17Å; L928-T932 WeakPolarHBondContact O-CB 3.42Å; L928-T932 VanDerWaalsContact O-CG2 3.27Å; L928-T932 WeakPolarHBondContact O-CG2 3.25Å; L928-T932 PolarHBondContact O-N 2.99Å; L928-T932 PolarHBondContact O-OG1 3.04Å; H929-T932 WeakPolarHBondContact CA-OG1 3.31Å; H929-T932 PolarHBondContact O-N 3.01Å; H929-T932 PolarHBondContact O-OG1 3.38Å; T932-L934 VanDerWaalsContact C-N 3.25Å; T932-L934 PolarHBondContact O-N 3.47Å; T932-W935 PolarHBondContact O-N 2.91Å; T932-T946 VanDerWaalsContact CG2-OG1 3.29Å; T932-T946 WeakPolarHBondContact CG2-OG1 3.42Å; T932-K947 WeakPolarHBondContact O-CE 3.35Å; T932-L1074 HydrophobicContact CG2-CD1 3.58Å |
| 933 | R | 82.8 | Confident | 84.1 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 33% | 0.325 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17.8 | 175.6 | 74.3 | -178.1 | -177.9 | 159.2 | -1.6 | 113.9 | H929 H930 E931 W935 | H929-R933 WeakPolarHBondContact O-CB 3.47Å; H929-R933 VanDerWaalsContact O-CG 3.31Å; H929-R933 WeakPolarHBondContact O-CG 3.35Å; H929-R933 PolarHBondContact O-N 2.88Å; H930-R933 PolarHBondContact CE1-NH2 3.5Å; H930-R933 PolarHBondContact ND1-NH2 3.04Å; H930-R933 PolarHBondContact NE2-NH2 2.9Å; H930-R933 WeakPolarHBondContact O-CG 3.42Å; E931-R933 PolarHBondContact O-N 3.08Å; R933-W935 PolarHBondContact O-N 3.46Å |
| 934 | L | 80.5 | Confident | 84.9 | Confident | 36 Ų | 36 | 38 Ų | 38 | 19% | 0.188 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.8 | 174 | -58.2 | 174.7 | 0 | 0 | 0 | 111.5 | E931 T932 P1096 R1097 Y1114 | E931-L934 WeakPolarHBondContact O-CB 3.37Å; E931-L934 WeakPolarHBondContact O-CG 3.35Å; E931-L934 PolarHBondContact O-N 3.23Å; T932-L934 VanDerWaalsContact C-N 3.25Å; T932-L934 PolarHBondContact O-N 3.47Å; L934-P1096 CarbonylContact O-C 3.59Å; L934-P1096 WeakPolarHBondContact O-CA 3.44Å; L934-R1097 PolarHBondContact O-N 3.33Å; L934-Y1114 HydrophobicContact CD1-CE1 3.86Å; L934-Y1114 WeakPolarHBondContact CD1-OH 3.31Å |
| 935 | W | 84.6 | Confident | 85.5 | Confident | 20 Ų | 20 | 38 Ų | 38 | 8% | 0.076 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -110.3 | 144.7 | -172.4 | -53.9 | 104.4 | 0 | 0 | 0 | 111.8 | T932 R933 I943 K947 E1078 W1094 P1096 | T932-W935 PolarHBondContact O-N 2.91Å; R933-W935 PolarHBondContact O-N 3.46Å; W935-I943 HydrophobicContact CB-CD1 3.78Å; W935-I943 HydrophobicContact CB-CG1 3.96Å; W935-I943 HydrophobicContact CB-CG2 4.1Å; W935-I943 HydrophobicContact CG-CD1 3.95Å; W935-K947 PolarHBondContact O-NZ 2.97Å; W935-E1078 VanDerWaalsContact CH2-OE1 3.25Å; W935-E1078 WeakPolarHBondContact CH2-OE1 3.46Å; W935-E1078 WeakPolarHBondContact CZ2-OE2 3.43Å; W935-W1094 AromaticContact CD2-CE3 3.77Å; W935-W1094 HydrophobicContact CD2-CE3 3.77Å; W935-W1094 HydrophobicContact CD2-CZ3 4.27Å; W935-W1094 AromaticContact CE2-CE3 3.95Å; W935-W1094 HydrophobicContact CE3-CB 4.14Å; W935-W1094 AromaticContact CE3-CE3 3.92Å; W935-W1094 HydrophobicContact CE3-CE3 3.92Å; W935-W1094 HydrophobicContact CG-CE3 4.22Å; W935-W1094 HydrophobicContact CG-CZ3 4.38Å; W935-W1094 HydrophobicContact CH2-CE3 4.37Å; W935-W1094 HydrophobicContact CZ2-CE3 4.26Å; W935-W1094 HydrophobicContact CZ3-CB 3.82Å; W935-W1094 HydrophobicContact CZ3-CE3 4.21Å; W935-P1096 HydrophobicContact CE3-CG 4.43Å; W935-P1096 HydrophobicContact CZ3-CG 3.88Å |
| 936 | S | 85.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 38 Ų | 38 | 8% | 0.077 | 18% | 0.184 | C | C | . | . | trans | -72 | 138.9 | 165.8 | -166.6 | 0 | 0 | 0 | 0 | 110.5 | R938 N1095 | S936-R938 WeakPolarHBondContact OG-CB 3.41Å; S936-R938 PolarHBondContact OG-N 2.9Å; S936-N1095 PolarHBondContact N-O 2.81Å | ||
| 937 | S | 86 | Confident | 86.3 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 22% | 0.217 | 18% | 0.181 | C | C | . | . | trans | -78.7 | -11.6 | 171 | 5.7 | 0 | 0 | 0 | 0 | 112.1 | D939 N940 K947 | S937-D939 PolarHBondContact O-N 3.34Å; S937-N940 PolarHBondContact O-N 3.44Å; S937-K947 PolarHBondContact OG-NZ 3.27Å | ||
| 938 | R | 77.8 | Confident | 87.1 | Confident | 138 Ų | 138 | 41.9 Ų | 41.9 | 52% | 0.521 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 126 | 177.4 | -167.1 | -164.7 | -171.1 | 105.3 | 0 | 110.1 | E905 S936 N940 | E905-R938 WeakPolarHBondContact OE1-CD 3.44Å; E905-R938 IonicContact OE1-CZ 3.73Å; E905-R938 IonicContact OE1-NE 3.97Å; E905-R938 IonicContact OE1-NH1 2.74Å; E905-R938 PolarHBondContact OE1-NH1 3Å; S936-R938 WeakPolarHBondContact OG-CB 3.41Å; S936-R938 PolarHBondContact OG-N 2.9Å; R938-N940 PolarHBondContact O-N 2.68Å |
| 939 | D | 80.5 | Confident | 87.4 | Confident | 108 Ų | 108 | 41.9 Ų | 41.9 | 58% | 0.578 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 28.2 | -179.7 | -47.3 | -42.6 | 0 | 0 | 0 | 113.6 | S937 I1093 | S937-D939 PolarHBondContact O-N 3.34Å; D939-I1093 HydrophobicContact CB-CD1 3.97Å; D939-I1093 HydrophobicContact CB-CG1 4.46Å |
| 940 | N | 88.7 | Confident | 87.7 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | trans | -146.7 | 88.1 | 178.9 | -166.9 | -30.7 | 0 | 0 | 0 | 111.4 | S937 R938 L942 I943 A944 I1093 | S937-N940 PolarHBondContact O-N 3.44Å; R938-N940 PolarHBondContact O-N 2.68Å; N940-L942 VanDerWaalsContact C-N 3.27Å; N940-L942 PolarHBondContact O-N 3.36Å; N940-L942 PolarHBondContact OD1-N 3.42Å; N940-I943 HydrophobicContact CB-CB 4.25Å; N940-I943 HydrophobicContact CB-CG1 4.35Å; N940-I943 PolarHBondContact O-N 3.33Å; N940-I943 PolarHBondContact OD1-N 3.28Å; N940-A944 PolarHBondContact O-N 3.24Å; N940-A944 VanDerWaalsContact O-N 3.08Å; N940-I1093 PolarHBondContact ND2-O 3.41Å | ||
| 941 | E | 90.9 | Very high | 88.3 | Confident | 154 Ų | 154 | 38.6 Ų | 38.6 | 72% | 0.72 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.7 | -32.4 | -176.8 | -64.3 | -178 | 158.1 | 0 | 0 | 113 | A944 A945 | E941-A944 PolarHBondContact O-N 2.86Å; E941-A945 WeakPolarHBondContact O-CB 3.48Å; E941-A945 PolarHBondContact O-N 2.86Å |
| 942 | L | 92.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.6 | 179.4 | 63.8 | 0 | 0 | 0 | 111.3 | N940 A944 A945 T946 V984 C987 L1074 A1077 F1092 W1094 | N940-L942 VanDerWaalsContact C-N 3.27Å; N940-L942 PolarHBondContact O-N 3.36Å; N940-L942 PolarHBondContact OD1-N 3.42Å; L942-A944 VanDerWaalsContact C-N 3.33Å; L942-A944 PolarHBondContact O-N 3.32Å; L942-A945 PolarHBondContact O-N 3.09Å; L942-T946 HydrophobicContact CD1-CG2 4.36Å; L942-T946 WeakPolarHBondContact O-CB 3.2Å; L942-T946 VanDerWaalsContact O-CG2 3.3Å; L942-T946 WeakPolarHBondContact O-CG2 3.41Å; L942-T946 PolarHBondContact O-N 3.24Å; L942-T946 PolarHBondContact O-OG1 3.08Å; L942-V984 HydrophobicContact CD1-CB 4.39Å; L942-V984 HydrophobicContact CD1-CG1 3.94Å; L942-V984 HydrophobicContact CD1-CG2 4.29Å; L942-C987 HydrophobicContact CB-CB 4.01Å; L942-C987 HydrophobicContact CD1-CB 3.93Å; L942-C987 HydrophobicContact CG-CB 4.49Å; L942-L1074 HydrophobicContact CD1-CD2 4.39Å; L942-L1074 HydrophobicContact CD2-CD2 3.95Å; L942-L1074 HydrophobicContact CG-CD2 3.76Å; L942-A1077 HydrophobicContact CD2-CB 3.61Å; L942-F1092 HydrophobicContact CB-CE1 4.29Å; L942-W1094 HydrophobicContact CD2-CH2 4.4Å; L942-W1094 HydrophobicContact CD2-CZ2 4.42Å |
| 943 | I | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -35.7 | 174.6 | -66.7 | -65.4 | 0 | 0 | 0 | 111.6 | W935 N940 T946 K947 L1074 W1094 | W935-I943 HydrophobicContact CB-CD1 3.78Å; W935-I943 HydrophobicContact CB-CG1 3.96Å; W935-I943 HydrophobicContact CB-CG2 4.1Å; W935-I943 HydrophobicContact CG-CD1 3.95Å; N940-I943 HydrophobicContact CB-CB 4.25Å; N940-I943 HydrophobicContact CB-CG1 4.35Å; N940-I943 PolarHBondContact O-N 3.33Å; N940-I943 PolarHBondContact OD1-N 3.28Å; I943-T946 WeakPolarHBondContact CA-OG1 3.4Å; I943-T946 PolarHBondContact O-OG1 2.81Å; I943-K947 HydrophobicContact CG2-CD 4.15Å; I943-K947 HydrophobicContact CG2-CG 4.49Å; I943-K947 WeakPolarHBondContact O-CB 3.44Å; I943-K947 VanDerWaalsContact O-CG 3.27Å; I943-K947 WeakPolarHBondContact O-CG 3.44Å; I943-K947 PolarHBondContact O-N 3.15Å; I943-L1074 HydrophobicContact CD1-CD2 3.75Å; I943-W1094 HydrophobicContact CD1-CH2 4.41Å; I943-W1094 HydrophobicContact CD1-CZ3 3.89Å; I943-W1094 HydrophobicContact CG1-CZ3 4.31Å |
| 944 | A | 92.6 | Very high | 89.8 | Confident | 39 Ų | 39 | 34 Ų | 34 | 32% | 0.322 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N940 E941 L942 R948 | N940-A944 PolarHBondContact O-N 3.24Å; N940-A944 VanDerWaalsContact O-N 3.08Å; E941-A944 PolarHBondContact O-N 2.86Å; L942-A944 VanDerWaalsContact C-N 3.33Å; L942-A944 PolarHBondContact O-N 3.32Å; A944-R948 PolarHBondContact O-N 3.37Å; A944-R948 VanDerWaalsContact O-N 3.14Å |
| 945 | A | 94.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | E941 L942 R948 M949 D983 V984 | E941-A945 WeakPolarHBondContact O-CB 3.48Å; E941-A945 PolarHBondContact O-N 2.86Å; L942-A945 PolarHBondContact O-N 3.09Å; A945-R948 WeakPolarHBondContact O-CA 3.31Å; A945-R948 VanDerWaalsContact O-CB 3.28Å; A945-R948 WeakPolarHBondContact O-CB 3.42Å; A945-R948 PolarHBondContact O-N 3.35Å; A945-R948 VanDerWaalsContact O-N 3.12Å; A945-M949 WeakPolarHBondContact O-CG 3.32Å; A945-M949 PolarHBondContact O-N 2.93Å; A945-D983 HydrophobicContact CB-CB 3.79Å; A945-V984 HydrophobicContact CB-CG2 3.85Å |
| 946 | T | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -35.8 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | T932 L942 I943 R948 M949 A950 V984 V1070 L1074 | T932-T946 VanDerWaalsContact CG2-OG1 3.29Å; T932-T946 WeakPolarHBondContact CG2-OG1 3.42Å; L942-T946 HydrophobicContact CD1-CG2 4.36Å; L942-T946 WeakPolarHBondContact O-CB 3.2Å; L942-T946 VanDerWaalsContact O-CG2 3.3Å; L942-T946 WeakPolarHBondContact O-CG2 3.41Å; L942-T946 PolarHBondContact O-N 3.24Å; L942-T946 PolarHBondContact O-OG1 3.08Å; I943-T946 WeakPolarHBondContact CA-OG1 3.4Å; I943-T946 PolarHBondContact O-OG1 2.81Å; T946-R948 VanDerWaalsContact C-N 3.33Å; T946-R948 PolarHBondContact O-N 3.45Å; T946-M949 PolarHBondContact O-N 3.3Å; T946-A950 PolarHBondContact O-N 3.37Å; T946-V984 HydrophobicContact CG2-CG2 3.67Å; T946-V1070 HydrophobicContact CG2-CG1 3.27Å; T946-L1074 HydrophobicContact CG2-CD1 4.16Å; T946-L1074 HydrophobicContact CG2-CD2 3.95Å; T946-L1074 HydrophobicContact CG2-CG 4.17Å |
| 947 | K | 92.7 | Very high | 90.6 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 15% | 0.152 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 168.2 | -74.5 | 177.5 | -177 | 177.1 | 0 | 112.1 | T932 W935 S937 I943 A950 A951 | T932-K947 WeakPolarHBondContact O-CE 3.35Å; W935-K947 PolarHBondContact O-NZ 2.97Å; S937-K947 PolarHBondContact OG-NZ 3.27Å; I943-K947 HydrophobicContact CG2-CD 4.15Å; I943-K947 HydrophobicContact CG2-CG 4.49Å; I943-K947 WeakPolarHBondContact O-CB 3.44Å; I943-K947 VanDerWaalsContact O-CG 3.27Å; I943-K947 WeakPolarHBondContact O-CG 3.44Å; I943-K947 PolarHBondContact O-N 3.15Å; K947-A950 PolarHBondContact O-N 2.88Å; K947-A951 PolarHBondContact O-N 3.32Å; K947-A951 VanDerWaalsContact O-N 3.16Å |
| 948 | R | 94.2 | Very high | 90.6 | Very high | 98 Ų | 98 | 32.1 Ų | 32.1 | 37% | 0.37 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62 | -44.5 | 174.8 | -157.5 | -163.9 | -54.6 | 141.1 | 6.4 | 111.3 | I845 A944 A945 T946 A950 A951 L952 D983 | I845-R948 HydrophobicContact CD1-CG 4.47Å; A944-R948 PolarHBondContact O-N 3.37Å; A944-R948 VanDerWaalsContact O-N 3.14Å; A945-R948 WeakPolarHBondContact O-CA 3.31Å; A945-R948 VanDerWaalsContact O-CB 3.28Å; A945-R948 WeakPolarHBondContact O-CB 3.42Å; A945-R948 PolarHBondContact O-N 3.35Å; A945-R948 VanDerWaalsContact O-N 3.12Å; T946-R948 VanDerWaalsContact C-N 3.33Å; T946-R948 PolarHBondContact O-N 3.45Å; R948-A950 PolarHBondContact O-N 3.47Å; R948-A951 PolarHBondContact O-N 2.83Å; R948-L952 HydrophobicContact CG-CD1 4.11Å; R948-L952 WeakPolarHBondContact O-CB 3.48Å; R948-L952 WeakPolarHBondContact O-CG 3.39Å; R948-L952 PolarHBondContact O-N 3.01Å; R948-D983 IonicContact CZ-OD2 2.67Å; R948-D983 IonicContact NH1-OD2 3.64Å; R948-D983 PolarHBondContact NH1-OD2 3.21Å; R948-D983 IonicContact NH2-OD2 2.69Å; R948-D983 PolarHBondContact NH2-OD2 2.86Å; R948-D983 VanDerWaalsContact NH2-OD2 3.17Å |
| 949 | M | 94 | Very high | 91 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.7 | -69.9 | -174.8 | 79.2 | 0 | 0 | 112.3 | L928 A945 T946 L952 M953 I977 A980 V984 L1066 M1067 V1070 | L928-M949 HydrophobicContact CD2-CB 4.06Å; A945-M949 WeakPolarHBondContact O-CG 3.32Å; A945-M949 PolarHBondContact O-N 2.93Å; T946-M949 PolarHBondContact O-N 3.3Å; M949-L952 PolarHBondContact O-N 3.18Å; M949-M953 VanDerWaalsContact O-CB 3.28Å; M949-M953 WeakPolarHBondContact O-CB 3.31Å; M949-M953 PolarHBondContact O-N 2.97Å; M949-I977 HydrophobicContact CE-CG2 4.24Å; M949-A980 HydrophobicContact CG-CB 3.52Å; M949-V984 HydrophobicContact SD-CB 4.49Å; M949-V984 HydrophobicContact SD-CG2 3.76Å; M949-L1066 HydrophobicContact CE-CD1 4.16Å; M949-L1066 HydrophobicContact CE-CD2 3.95Å; M949-L1066 HydrophobicContact CE-CG 3.97Å; M949-M1067 HydrophobicContact CB-CE 4.23Å; M949-M1067 HydrophobicContact CE-CE 3.98Å; M949-V1070 HydrophobicContact CE-CG2 3.83Å; M949-V1070 HydrophobicContact SD-CG1 4.47Å; M949-V1070 HydrophobicContact SD-CG2 3.91Å |
| 950 | A | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F912 L928 H929 T946 K947 R948 M953 A954 | F912-A950 HydrophobicContact CE2-CB 4.38Å; F912-A950 HydrophobicContact CZ-CB 4.46Å; L928-A950 HydrophobicContact CB-CB 4.21Å; L928-A950 HydrophobicContact CD2-CB 4.11Å; L928-A950 HydrophobicContact CG-CB 4.07Å; H929-A950 HydrophobicContact CB-CB 4.11Å; T946-A950 PolarHBondContact O-N 3.37Å; K947-A950 PolarHBondContact O-N 2.88Å; R948-A950 PolarHBondContact O-N 3.47Å; A950-M953 PolarHBondContact O-N 3.49Å; A950-A954 PolarHBondContact O-N 2.95Å |
| 951 | A | 92.7 | Very high | 90.7 | Very high | 19 Ų | 19 | 25.8 Ų | 25.8 | 16% | 0.157 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | K947 R948 M953 A954 Q955 | K947-A951 PolarHBondContact O-N 3.32Å; K947-A951 VanDerWaalsContact O-N 3.16Å; R948-A951 PolarHBondContact O-N 2.83Å; A951-M953 VanDerWaalsContact C-N 3.35Å; A951-M953 PolarHBondContact O-N 2.97Å; A951-A954 PolarHBondContact O-N 3.24Å; A951-Q955 PolarHBondContact O-N 3.48Å |
| 952 | L | 94.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 21.1 Ų | 21.1 | 9% | 0.089 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.7 | -35.9 | 175.8 | -69.3 | 167.7 | 0 | 0 | 0 | 112.1 | R948 M949 Q955 L956 V973 A976 I977 | R948-L952 HydrophobicContact CG-CD1 4.11Å; R948-L952 WeakPolarHBondContact O-CB 3.48Å; R948-L952 WeakPolarHBondContact O-CG 3.39Å; R948-L952 PolarHBondContact O-N 3.01Å; M949-L952 PolarHBondContact O-N 3.18Å; L952-Q955 WeakPolarHBondContact O-CB 3.47Å; L952-Q955 PolarHBondContact O-N 3.34Å; L952-L956 PolarHBondContact O-N 2.97Å; L952-V973 HydrophobicContact CB-CG1 4.46Å; L952-V973 WeakPolarHBondContact O-CG1 3.43Å; L952-A976 HydrophobicContact CD1-CB 3.92Å; L952-A976 HydrophobicContact CD2-CB 4.13Å; L952-I977 HydrophobicContact CB-CD1 4.21Å; L952-I977 HydrophobicContact CB-CG1 3.53Å; L952-I977 HydrophobicContact CD1-CG1 4.34Å |
| 953 | M | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.7 | -31.4 | 177.4 | -169.7 | 60.8 | 91 | 0 | 0 | 112.3 | I921 A925 M949 A950 A951 L956 S957 I977 L1018 A1063 L1066 M1067 | I921-M953 HydrophobicContact CG2-CG 3.8Å; I921-M953 HydrophobicContact CG2-SD 3.46Å; I921-M953 WeakPolarHBondContact CG2-SD 3.32Å; A925-M953 HydrophobicContact CB-CB 3.86Å; A925-M953 HydrophobicContact CB-CG 3.93Å; M949-M953 VanDerWaalsContact O-CB 3.28Å; M949-M953 WeakPolarHBondContact O-CB 3.31Å; M949-M953 PolarHBondContact O-N 2.97Å; A950-M953 PolarHBondContact O-N 3.49Å; A951-M953 VanDerWaalsContact C-N 3.35Å; A951-M953 PolarHBondContact O-N 2.97Å; M953-L956 HydrophobicContact CE-CD2 4.46Å; M953-L956 PolarHBondContact O-N 3.39Å; M953-L956 HydrophobicContact SD-CB 4.17Å; M953-L956 HydrophobicContact SD-CD2 3.57Å; M953-L956 VanDerWaalsContact SD-CD2 3.57Å; M953-L956 HydrophobicContact SD-CG 4.5Å; M953-S957 PolarHBondContact O-N 2.93Å; M953-I977 HydrophobicContact CE-CD1 4.38Å; M953-I977 HydrophobicContact SD-CD1 4.14Å; M953-L1018 HydrophobicContact CE-CD2 4.49Å; M953-A1063 HydrophobicContact CE-CB 3.6Å; M953-A1063 HydrophobicContact SD-CB 3.84Å; M953-L1066 HydrophobicContact CE-CD2 4.28Å; M953-M1067 HydrophobicContact CB-CE 4.23Å; M953-M1067 HydrophobicContact CB-SD 3.71Å; M953-M1067 HydrophobicContact CE-CE 3.68Å; M953-M1067 HydrophobicContact CE-CG 4.06Å; M953-M1067 HydrophobicContact CE-SD 4.22Å; M953-M1067 HydrophobicContact CG-CE 4.33Å; M953-M1067 HydrophobicContact CG-CG 3.94Å; M953-M1067 HydrophobicContact CG-SD 3.74Å |
| 954 | A | 90 | Very high | 87.7 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F912 M922 A925 A950 A951 S957 Q958 | F912-A954 HydrophobicContact CE1-CB 3.97Å; F912-A954 HydrophobicContact CE2-CB 4.49Å; F912-A954 HydrophobicContact CZ-CB 3.72Å; M922-A954 HydrophobicContact CE-CB 4.03Å; M922-A954 WeakPolarHBondContact CE-O 3.41Å; M922-A954 HydrophobicContact SD-CB 3.64Å; A925-A954 HydrophobicContact CB-CB 4.17Å; A950-A954 PolarHBondContact O-N 2.95Å; A951-A954 PolarHBondContact O-N 3.24Å; A954-S957 WeakPolarHBondContact O-CB 3.45Å; A954-S957 PolarHBondContact O-N 3.23Å; A954-Q958 PolarHBondContact O-N 3.47Å |
| 955 | Q | 90.2 | Very high | 86.6 | Confident | 28 Ų | 28 | 30.1 Ų | 30.1 | 13% | 0.131 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.5 | -67 | 174.7 | -7 | 0 | 0 | 112 | A951 L952 S957 Q958 I959 V973 | A951-Q955 PolarHBondContact O-N 3.48Å; L952-Q955 WeakPolarHBondContact O-CB 3.47Å; L952-Q955 PolarHBondContact O-N 3.34Å; Q955-S957 VanDerWaalsContact C-N 3.27Å; Q955-S957 PolarHBondContact O-N 3.42Å; Q955-Q958 PolarHBondContact O-N 2.84Å; Q955-I959 WeakPolarHBondContact O-CG1 3.37Å; Q955-I959 PolarHBondContact O-N 3.27Å; Q955-V973 HydrophobicContact CB-CG1 4.38Å |
| 956 | L | 90.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56 | -43.5 | 175.1 | -164.5 | 81.9 | 0 | 0 | 0 | 111.1 | L952 M953 Q958 I959 V960 L970 V973 I977 L1018 | L952-L956 PolarHBondContact O-N 2.97Å; M953-L956 HydrophobicContact CE-CD2 4.46Å; M953-L956 PolarHBondContact O-N 3.39Å; M953-L956 HydrophobicContact SD-CB 4.17Å; M953-L956 HydrophobicContact SD-CD2 3.57Å; M953-L956 VanDerWaalsContact SD-CD2 3.57Å; M953-L956 HydrophobicContact SD-CG 4.5Å; L956-Q958 PolarHBondContact O-N 2.6Å; L956-I959 PolarHBondContact O-N 2.97Å; L956-V960 HydrophobicContact CG-CG2 4.26Å; L956-V960 WeakPolarHBondContact O-CB 3.46Å; L956-V960 VanDerWaalsContact O-CG2 3.23Å; L956-V960 WeakPolarHBondContact O-CG2 3.47Å; L956-V960 PolarHBondContact O-N 3.09Å; L956-L970 HydrophobicContact CD1-CD1 3.68Å; L956-L970 HydrophobicContact CG-CD1 4.41Å; L956-V973 HydrophobicContact CB-CG1 3.99Å; L956-V973 HydrophobicContact CD1-CB 4.31Å; L956-V973 HydrophobicContact CD1-CG1 3.94Å; L956-I977 HydrophobicContact CB-CD1 3.96Å; L956-I977 HydrophobicContact CD1-CD1 4.27Å; L956-I977 HydrophobicContact CD2-CD1 3.97Å; L956-I977 HydrophobicContact CG-CD1 4.29Å; L956-L1018 HydrophobicContact CD2-CD1 4.33Å |
| 957 | S | 87.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -24.1 | 178.3 | -171 | 0 | 0 | 0 | 0 | 114.3 | M922 M953 A954 Q955 R961 | M922-S957 PolarHBondContact N-OG 2.92Å; M953-S957 PolarHBondContact O-N 2.93Å; A954-S957 WeakPolarHBondContact O-CB 3.45Å; A954-S957 PolarHBondContact O-N 3.23Å; Q955-S957 VanDerWaalsContact C-N 3.27Å; Q955-S957 PolarHBondContact O-N 3.42Å; S957-R961 WeakPolarHBondContact O-CG 3.32Å; S957-R961 VanDerWaalsContact O-CZ 3.31Å; S957-R961 PolarHBondContact O-NE 3.24Å; S957-R961 PolarHBondContact O-NH1 2.95Å; S957-R961 VanDerWaalsContact O-NH1 3.17Å; S957-R961 PolarHBondContact OG-NH1 2.84Å |
| 958 | Q | 86.2 | Confident | 85.1 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -92.9 | -38.2 | -179.5 | -62 | -174.5 | -85 | 0 | 0 | 111.4 | M922 A954 Q955 L956 R961 G962 E963 Y964 | M922-Q958 HydrophobicContact CE-CG 3.77Å; A954-Q958 PolarHBondContact O-N 3.47Å; Q955-Q958 PolarHBondContact O-N 2.84Å; L956-Q958 PolarHBondContact O-N 2.6Å; Q958-R961 PolarHBondContact O-N 2.87Å; Q958-G962 PolarHBondContact O-N 3.35Å; Q958-E963 HydrophobicContact CB-CB 4.41Å; Q958-E963 WeakPolarHBondContact CG-OE2 3.12Å; Q958-E963 PolarHBondContact NE2-OE2 2.97Å; Q958-E963 PolarHBondContact O-N 3.12Å; Q958-Y964 HydrophobicContact CB-CD1 4.23Å; Q958-Y964 HydrophobicContact CB-CE1 3.43Å; Q958-Y964 VanDerWaalsContact CB-CE1 3.43Å; Q958-Y964 HydrophobicContact CG-CE1 4.12Å; Q958-Y964 PolarHBondContact OE1-OH 3.47Å |
| 959 | I | 85.7 | Confident | 84.8 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 174.1 | -59.9 | 165.5 | 0 | 0 | 0 | 110.9 | Q955 L956 R961 G962 Y964 D969 L970 V973 | Q955-I959 WeakPolarHBondContact O-CG1 3.37Å; Q955-I959 PolarHBondContact O-N 3.27Å; L956-I959 PolarHBondContact O-N 2.97Å; I959-R961 PolarHBondContact O-N 3.26Å; I959-G962 PolarHBondContact O-N 3.2Å; I959-Y964 WeakPolarHBondContact CA-O 3.39Å; I959-Y964 HydrophobicContact CD1-CE2 4.41Å; I959-Y964 HydrophobicContact CG1-CD2 4.12Å; I959-Y964 HydrophobicContact CG1-CE2 3.81Å; I959-D969 HydrophobicContact CD1-CB 4.32Å; I959-L970 HydrophobicContact CG2-CB 3.83Å; I959-L970 HydrophobicContact CG2-CD1 4.08Å; I959-V973 HydrophobicContact CD1-CB 4.33Å; I959-V973 HydrophobicContact CD1-CG2 3.74Å |
| 960 | V | 83.5 | Confident | 84.5 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.3 | 176.8 | 170.6 | 0 | 0 | 0 | 0 | 112.5 | I921 L956 L970 T1056 L1059 | I921-V960 HydrophobicContact CD1-CB 4.46Å; I921-V960 HydrophobicContact CD1-CG1 4.27Å; I921-V960 HydrophobicContact CD1-CG2 4.41Å; L956-V960 HydrophobicContact CG-CG2 4.26Å; L956-V960 WeakPolarHBondContact O-CB 3.46Å; L956-V960 VanDerWaalsContact O-CG2 3.23Å; L956-V960 WeakPolarHBondContact O-CG2 3.47Å; L956-V960 PolarHBondContact O-N 3.09Å; V960-L970 HydrophobicContact CG2-CD1 3.58Å; V960-T1056 HydrophobicContact CG1-CG2 4.22Å; V960-L1059 HydrophobicContact CG1-CD2 4.37Å; V960-L1059 HydrophobicContact CG2-CD2 3.63Å |
| 961 | R | 78.9 | Confident | 84.2 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 33% | 0.328 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.8 | 175 | -68 | -168.5 | -57.6 | -111.3 | 13.1 | 114.3 | Q919 S957 Q958 I959 E963 | Q919-R961 VanDerWaalsContact CD-NH2 3.32Å; Q919-R961 VanDerWaalsContact CG-NH1 3.3Å; S957-R961 WeakPolarHBondContact O-CG 3.32Å; S957-R961 VanDerWaalsContact O-CZ 3.31Å; S957-R961 PolarHBondContact O-NE 3.24Å; S957-R961 PolarHBondContact O-NH1 2.95Å; S957-R961 VanDerWaalsContact O-NH1 3.17Å; S957-R961 PolarHBondContact OG-NH1 2.84Å; Q958-R961 PolarHBondContact O-N 2.87Å; I959-R961 PolarHBondContact O-N 3.26Å; R961-E963 VanDerWaalsContact C-N 3.28Å; R961-E963 HydrophobicContact CB-CG 4.3Å; R961-E963 IonicContact CZ-OE1 2.72Å; R961-E963 IonicContact NE-OE1 3.85Å; R961-E963 PolarHBondContact NE-OE1 3.16Å; R961-E963 IonicContact NH2-OE1 2.74Å; R961-E963 PolarHBondContact NH2-OE1 3.33Å; R961-E963 IonicContact NH2-OE2 3.66Å; R961-E963 PolarHBondContact NH2-OE2 3.03Å; R961-E963 PolarHBondContact O-N 2.97Å |
| 962 | G | 75.3 | Confident | 84.2 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 59% | 0.588 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 17.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q958 I959 Y964 | Q958-G962 PolarHBondContact O-N 3.35Å; I959-G962 PolarHBondContact O-N 3.2Å; G962-Y964 VanDerWaalsContact C-N 3.26Å; G962-Y964 PolarHBondContact O-N 2.73Å |
| 963 | E | 71.3 | Confident | 84.1 | Confident | 100 Ų | 100 | 45.7 Ų | 45.7 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -64.1 | -34.2 | 176 | -74.3 | 176.5 | -165.3 | 0 | 0 | 112.2 | Q958 R961 | Q958-E963 HydrophobicContact CB-CB 4.41Å; Q958-E963 WeakPolarHBondContact CG-OE2 3.12Å; Q958-E963 PolarHBondContact NE2-OE2 2.97Å; Q958-E963 PolarHBondContact O-N 3.12Å; R961-E963 VanDerWaalsContact C-N 3.28Å; R961-E963 HydrophobicContact CB-CG 4.3Å; R961-E963 IonicContact CZ-OE1 2.72Å; R961-E963 IonicContact NE-OE1 3.85Å; R961-E963 PolarHBondContact NE-OE1 3.16Å; R961-E963 IonicContact NH2-OE1 2.74Å; R961-E963 PolarHBondContact NH2-OE1 3.33Å; R961-E963 IonicContact NH2-OE2 3.66Å; R961-E963 PolarHBondContact NH2-OE2 3.03Å; R961-E963 PolarHBondContact O-N 2.97Å |
| 964 | Y | 68.2 | Low | 84.1 | Confident | 80 Ų | 80 | 45.7 Ų | 45.7 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -165 | 167.4 | 172.9 | 59.8 | -98.7 | 0 | 0 | 0 | 110.3 | L849 Q958 I959 G962 | L849-Y964 HydrophobicContact CD2-CE1 4.15Å; Q958-Y964 HydrophobicContact CB-CD1 4.23Å; Q958-Y964 HydrophobicContact CB-CE1 3.43Å; Q958-Y964 VanDerWaalsContact CB-CE1 3.43Å; Q958-Y964 HydrophobicContact CG-CE1 4.12Å; Q958-Y964 PolarHBondContact OE1-OH 3.47Å; I959-Y964 WeakPolarHBondContact CA-O 3.39Å; I959-Y964 HydrophobicContact CD1-CE2 4.41Å; I959-Y964 HydrophobicContact CG1-CD2 4.12Å; I959-Y964 HydrophobicContact CG1-CE2 3.81Å; G962-Y964 VanDerWaalsContact C-N 3.26Å; G962-Y964 PolarHBondContact O-N 2.73Å |
| 965 | G | 69.2 | Low | 84.2 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | trans | 91.3 | 159.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 966 | T | 80.3 | Confident | 84.4 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | trans | -103.5 | 171 | -177 | 70 | 0 | 0 | 0 | 0 | 112.2 | K968 D969 L970 | T966-K968 PolarHBondContact O-N 3.37Å; T966-K968 VanDerWaalsContact O-N 3.08Å; T966-K968 WeakPolarHBondContact OG1-CB 3.24Å; T966-K968 PolarHBondContact OG1-N 3.11Å; T966-D969 WeakPolarHBondContact CB-OD2 3.42Å; T966-D969 PolarHBondContact N-OD2 3.35Å; T966-D969 PolarHBondContact O-N 2.88Å; T966-D969 PolarHBondContact OG1-N 3.32Å; T966-D969 PolarHBondContact OG1-OD2 3.01Å; T966-L970 PolarHBondContact O-N 3.01Å; T966-L970 VanDerWaalsContact O-N 3.15Å | ||
| 967 | K | 82.4 | Confident | 84.5 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -45 | -38.2 | 165.3 | -71 | -174.3 | 168.5 | -159.9 | 0 | 112.9 | I971 A1026 T1027 L1029 | K967-I971 WeakPolarHBondContact O-CG1 3.43Å; K967-I971 PolarHBondContact O-N 3.09Å; K967-A1026 WeakPolarHBondContact CD-O 3.42Å; K967-A1026 WeakPolarHBondContact CE-O 3.47Å; K967-A1026 WeakPolarHBondContact CG-O 3.46Å; K967-A1026 PolarHBondContact NZ-O 2.88Å; K967-T1027 PolarHBondContact NZ-O 2.92Å; K967-L1029 WeakPolarHBondContact CE-O 3.45Å; K967-L1029 HydrophobicContact CG-CB 4.16Å |
| 968 | K | 86 | Confident | 84.7 | Confident | 144 Ų | 144 | 49.9 Ų | 49.9 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.6 | -37.5 | -179.8 | -168.7 | -176.4 | 178.8 | -174.9 | 0 | 111.6 | T966 I971 N972 | T966-K968 PolarHBondContact O-N 3.37Å; T966-K968 VanDerWaalsContact O-N 3.08Å; T966-K968 WeakPolarHBondContact OG1-CB 3.24Å; T966-K968 PolarHBondContact OG1-N 3.11Å; K968-I971 PolarHBondContact O-N 3.15Å; K968-N972 PolarHBondContact O-N 3.11Å; K968-N972 PolarHBondContact O-ND2 3.42Å; K968-N972 PolarHBondContact O-OD1 2.86Å |
| 969 | D | 88 | Confident | 85.1 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.5 | -33.1 | -177.2 | -53.4 | -50.8 | 0 | 0 | 0 | 111.7 | I959 T966 I971 N972 V973 | I959-D969 HydrophobicContact CD1-CB 4.32Å; T966-D969 WeakPolarHBondContact CB-OD2 3.42Å; T966-D969 PolarHBondContact N-OD2 3.35Å; T966-D969 PolarHBondContact O-N 2.88Å; T966-D969 PolarHBondContact OG1-N 3.32Å; T966-D969 PolarHBondContact OG1-OD2 3.01Å; D969-I971 VanDerWaalsContact C-N 3.34Å; D969-I971 PolarHBondContact O-N 3.26Å; D969-N972 PolarHBondContact O-N 3.09Å; D969-V973 WeakPolarHBondContact O-CB 3.41Å; D969-V973 WeakPolarHBondContact O-CG2 3.17Å; D969-V973 PolarHBondContact O-N 3.46Å |
| 970 | L | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 169.3 | -176 | 66.5 | 0 | 0 | 0 | 111.7 | L956 I959 V960 T966 S974 K1025 A1026 L1029 | L956-L970 HydrophobicContact CD1-CD1 3.68Å; L956-L970 HydrophobicContact CG-CD1 4.41Å; I959-L970 HydrophobicContact CG2-CB 3.83Å; I959-L970 HydrophobicContact CG2-CD1 4.08Å; V960-L970 HydrophobicContact CG2-CD1 3.58Å; T966-L970 PolarHBondContact O-N 3.01Å; T966-L970 VanDerWaalsContact O-N 3.15Å; L970-S974 WeakPolarHBondContact O-CB 3.42Å; L970-S974 PolarHBondContact O-N 3.19Å; L970-S974 VanDerWaalsContact O-N 3.08Å; L970-S974 PolarHBondContact O-OG 3.28Å; L970-K1025 HydrophobicContact CD2-CB 4.13Å; L970-K1025 HydrophobicContact CD2-CG 3.89Å; L970-A1026 HydrophobicContact CD2-CB 4.24Å; L970-L1029 HydrophobicContact CD2-CD1 3.56Å |
| 971 | I | 87.8 | Confident | 86 | Confident | 49 Ų | 49 | 54 Ų | 54 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.5 | -57.6 | 169.7 | 0 | 0 | 0 | 110.2 | K967 K968 D969 S974 M975 A1026 | K967-I971 WeakPolarHBondContact O-CG1 3.43Å; K967-I971 PolarHBondContact O-N 3.09Å; K968-I971 PolarHBondContact O-N 3.15Å; D969-I971 VanDerWaalsContact C-N 3.34Å; D969-I971 PolarHBondContact O-N 3.26Å; I971-S974 WeakPolarHBondContact CA-OG 3.39Å; I971-S974 PolarHBondContact O-OG 3.09Å; I971-S974 VanDerWaalsContact O-OG 3.06Å; I971-M975 HydrophobicContact CG2-CE 4.04Å; I971-M975 HydrophobicContact CG2-CG 4.38Å; I971-M975 HydrophobicContact CG2-SD 4.23Å; I971-M975 WeakPolarHBondContact O-CB 3.27Å; I971-M975 VanDerWaalsContact O-CG 3.24Å; I971-M975 WeakPolarHBondContact O-CG 3.4Å; I971-M975 PolarHBondContact O-N 3.4Å; I971-A1026 HydrophobicContact CD1-CB 3.68Å; I971-A1026 HydrophobicContact CG1-CB 3.6Å |
| 972 | N | 92 | Very high | 86.7 | Confident | 67 Ų | 67 | 54.3 Ų | 54.3 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 177.4 | -66.1 | -23.4 | 0 | 0 | 0 | 112.1 | K968 D969 M975 A976 | K968-N972 PolarHBondContact O-N 3.11Å; K968-N972 PolarHBondContact O-ND2 3.42Å; K968-N972 PolarHBondContact O-OD1 2.86Å; D969-N972 PolarHBondContact O-N 3.09Å; N972-M975 PolarHBondContact O-N 3.48Å; N972-A976 PolarHBondContact O-N 3.16Å |
| 973 | V | 92.8 | Very high | 87.6 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | -178.4 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L952 Q955 L956 I959 D969 M975 A976 I977 | L952-V973 HydrophobicContact CB-CG1 4.46Å; L952-V973 WeakPolarHBondContact O-CG1 3.43Å; Q955-V973 HydrophobicContact CB-CG1 4.38Å; L956-V973 HydrophobicContact CB-CG1 3.99Å; L956-V973 HydrophobicContact CD1-CB 4.31Å; L956-V973 HydrophobicContact CD1-CG1 3.94Å; I959-V973 HydrophobicContact CD1-CB 4.33Å; I959-V973 HydrophobicContact CD1-CG2 3.74Å; D969-V973 WeakPolarHBondContact O-CB 3.41Å; D969-V973 WeakPolarHBondContact O-CG2 3.17Å; D969-V973 PolarHBondContact O-N 3.46Å; V973-M975 PolarHBondContact O-N 2.82Å; V973-A976 PolarHBondContact O-N 3.48Å; V973-I977 HydrophobicContact CG1-CD1 4.01Å; V973-I977 HydrophobicContact CG1-CG1 4.46Å; V973-I977 VanDerWaalsContact O-CG1 3.31Å; V973-I977 WeakPolarHBondContact O-CG1 3.44Å; V973-I977 PolarHBondContact O-N 3.18Å |
| 974 | S | 92.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | L970 I971 A978 S1022 | L970-S974 WeakPolarHBondContact O-CB 3.42Å; L970-S974 PolarHBondContact O-N 3.19Å; L970-S974 VanDerWaalsContact O-N 3.08Å; L970-S974 PolarHBondContact O-OG 3.28Å; I971-S974 WeakPolarHBondContact CA-OG 3.39Å; I971-S974 PolarHBondContact O-OG 3.09Å; I971-S974 VanDerWaalsContact O-OG 3.06Å; S974-A978 WeakPolarHBondContact O-CB 3.48Å; S974-A978 PolarHBondContact O-N 3.31Å; S974-A978 VanDerWaalsContact O-N 3.1Å; S974-S1022 VanDerWaalsContact CB-CB 3.41Å; S974-S1022 WeakPolarHBondContact CB-OG 3.44Å; S974-S1022 WeakPolarHBondContact OG-CB 3.47Å; S974-S1022 PolarHBondContact OG-OG 3.19Å |
| 975 | M | 91 | Very high | 89.9 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 41% | 0.414 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 169 | -73.3 | -171.6 | -54.9 | 0 | 0 | 112.2 | I971 N972 V973 A978 E979 | I971-M975 HydrophobicContact CG2-CE 4.04Å; I971-M975 HydrophobicContact CG2-CG 4.38Å; I971-M975 HydrophobicContact CG2-SD 4.23Å; I971-M975 WeakPolarHBondContact O-CB 3.27Å; I971-M975 VanDerWaalsContact O-CG 3.24Å; I971-M975 WeakPolarHBondContact O-CG 3.4Å; I971-M975 PolarHBondContact O-N 3.4Å; N972-M975 PolarHBondContact O-N 3.48Å; V973-M975 PolarHBondContact O-N 2.82Å; M975-A978 PolarHBondContact O-N 3.26Å; M975-E979 PolarHBondContact O-N 2.92Å |
| 976 | A | 94.7 | Very high | 91.1 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 24% | 0.24 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.5 | -35.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L952 N972 V973 A978 E979 A980 | L952-A976 HydrophobicContact CD1-CB 3.92Å; L952-A976 HydrophobicContact CD2-CB 4.13Å; N972-A976 PolarHBondContact O-N 3.16Å; V973-A976 PolarHBondContact O-N 3.48Å; A976-A978 VanDerWaalsContact C-N 3.34Å; A976-E979 PolarHBondContact O-N 3.02Å; A976-A980 WeakPolarHBondContact O-CB 3.5Å; A976-A980 PolarHBondContact O-N 2.67Å |
| 977 | I | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 171.8 | -68.7 | 166.6 | 0 | 0 | 0 | 110.3 | M949 L952 M953 L956 V973 A980 S981 L1018 L1066 | M949-I977 HydrophobicContact CE-CG2 4.24Å; L952-I977 HydrophobicContact CB-CD1 4.21Å; L952-I977 HydrophobicContact CB-CG1 3.53Å; L952-I977 HydrophobicContact CD1-CG1 4.34Å; M953-I977 HydrophobicContact CE-CD1 4.38Å; M953-I977 HydrophobicContact SD-CD1 4.14Å; L956-I977 HydrophobicContact CB-CD1 3.96Å; L956-I977 HydrophobicContact CD1-CD1 4.27Å; L956-I977 HydrophobicContact CD2-CD1 3.97Å; L956-I977 HydrophobicContact CG-CD1 4.29Å; V973-I977 HydrophobicContact CG1-CD1 4.01Å; V973-I977 HydrophobicContact CG1-CG1 4.46Å; V973-I977 VanDerWaalsContact O-CG1 3.31Å; V973-I977 WeakPolarHBondContact O-CG1 3.44Å; V973-I977 PolarHBondContact O-N 3.18Å; I977-A980 PolarHBondContact O-N 3.24Å; I977-S981 WeakPolarHBondContact O-CB 3.36Å; I977-S981 PolarHBondContact O-N 3.05Å; I977-L1018 HydrophobicContact CB-CD2 3.96Å; I977-L1018 HydrophobicContact CD1-CD2 4.23Å; I977-L1018 HydrophobicContact CG2-CD2 3.5Å; I977-L1066 HydrophobicContact CG2-CD2 3.56Å |
| 978 | A | 91.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.1 | -36.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S974 M975 A976 S981 L982 G1015 K1019 | S974-A978 WeakPolarHBondContact O-CB 3.48Å; S974-A978 PolarHBondContact O-N 3.31Å; S974-A978 VanDerWaalsContact O-N 3.1Å; M975-A978 PolarHBondContact O-N 3.26Å; A976-A978 VanDerWaalsContact C-N 3.34Å; A978-S981 WeakPolarHBondContact CA-OG 3.09Å; A978-S981 WeakPolarHBondContact O-CB 3.48Å; A978-S981 PolarHBondContact O-N 3.36Å; A978-S981 PolarHBondContact O-OG 2.88Å; A978-L982 PolarHBondContact O-N 3.08Å; A978-L982 VanDerWaalsContact O-N 3.1Å; A978-G1015 WeakPolarHBondContact CB-O 3.35Å; A978-K1019 HydrophobicContact CB-CD 3.48Å; A978-K1019 VanDerWaalsContact CB-CD 3.48Å; A978-K1019 HydrophobicContact CB-CG 3.64Å |
| 979 | E | 93.8 | Very high | 92.6 | Very high | 138 Ų | 138 | 38 Ų | 38 | 65% | 0.645 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.8 | -47 | 171.4 | -174.3 | 170.6 | -157.8 | 0 | 0 | 111.1 | M975 A976 S981 L982 D983 | M975-E979 PolarHBondContact O-N 2.92Å; A976-E979 PolarHBondContact O-N 3.02Å; E979-S981 VanDerWaalsContact C-N 3.27Å; E979-S981 PolarHBondContact O-N 2.91Å; E979-L982 WeakPolarHBondContact O-CA 3.45Å; E979-L982 WeakPolarHBondContact O-CB 3.49Å; E979-L982 PolarHBondContact O-N 3.37Å; E979-D983 PolarHBondContact O-N 3.02Å |
| 980 | A | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -28.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M949 A976 I977 L982 D983 V984 | M949-A980 HydrophobicContact CG-CB 3.52Å; A976-A980 WeakPolarHBondContact O-CB 3.5Å; A976-A980 PolarHBondContact O-N 2.67Å; I977-A980 PolarHBondContact O-N 3.24Å; A980-L982 VanDerWaalsContact C-N 3.28Å; A980-L982 PolarHBondContact O-N 3.47Å; A980-D983 WeakPolarHBondContact O-CB 3.35Å; A980-D983 PolarHBondContact O-N 2.9Å; A980-V984 WeakPolarHBondContact O-CG2 3.38Å; A980-V984 PolarHBondContact O-N 2.68Å; A980-V984 VanDerWaalsContact O-N 3.15Å |
| 981 | S | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.8 | -27.6 | 171.3 | 86 | 0 | 0 | 0 | 0 | 112.7 | I977 A978 E979 N985 | I977-S981 WeakPolarHBondContact O-CB 3.36Å; I977-S981 PolarHBondContact O-N 3.05Å; A978-S981 WeakPolarHBondContact CA-OG 3.09Å; A978-S981 WeakPolarHBondContact O-CB 3.48Å; A978-S981 PolarHBondContact O-N 3.36Å; A978-S981 PolarHBondContact O-OG 2.88Å; E979-S981 VanDerWaalsContact C-N 3.27Å; E979-S981 PolarHBondContact O-N 2.91Å; S981-N985 WeakPolarHBondContact O-CB 3.28Å; S981-N985 PolarHBondContact O-N 3.21Å |
| 982 | L | 94.2 | Very high | 93.2 | Very high | 95 Ų | 95 | 34.7 Ų | 34.7 | 50% | 0.497 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -77.1 | -38.5 | 175.3 | -164.5 | 153.1 | 0 | 0 | 0 | 110.9 | A978 E979 A980 V984 N985 Q986 L1012 | A978-L982 PolarHBondContact O-N 3.08Å; A978-L982 VanDerWaalsContact O-N 3.1Å; E979-L982 WeakPolarHBondContact O-CA 3.45Å; E979-L982 WeakPolarHBondContact O-CB 3.49Å; E979-L982 PolarHBondContact O-N 3.37Å; A980-L982 VanDerWaalsContact C-N 3.28Å; A980-L982 PolarHBondContact O-N 3.47Å; L982-V984 VanDerWaalsContact C-N 3.28Å; L982-V984 PolarHBondContact O-N 3.04Å; L982-N985 PolarHBondContact O-N 3.16Å; L982-Q986 WeakPolarHBondContact O-CB 3.39Å; L982-Q986 PolarHBondContact O-N 2.94Å; L982-L1012 HydrophobicContact CD1-CD1 4.32Å; L982-L1012 HydrophobicContact CG-CD1 4.43Å |
| 983 | D | 94.5 | Very high | 93.1 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -53.8 | -46.2 | 167.3 | -75.9 | -8.6 | 0 | 0 | 0 | 110.8 | A945 R948 E979 A980 Q986 C987 | A945-D983 HydrophobicContact CB-CB 3.79Å; R948-D983 IonicContact CZ-OD2 2.67Å; R948-D983 IonicContact NH1-OD2 3.64Å; R948-D983 PolarHBondContact NH1-OD2 3.21Å; R948-D983 IonicContact NH2-OD2 2.69Å; R948-D983 PolarHBondContact NH2-OD2 2.86Å; R948-D983 VanDerWaalsContact NH2-OD2 3.17Å; E979-D983 PolarHBondContact O-N 3.02Å; A980-D983 WeakPolarHBondContact O-CB 3.35Å; A980-D983 PolarHBondContact O-N 2.9Å; D983-Q986 PolarHBondContact O-N 2.96Å; D983-C987 WeakPolarHBondContact O-CB 3.33Å; D983-C987 PolarHBondContact O-N 2.97Å; D983-C987 PolarHBondContact O-SG 3.4Å |
| 984 | V | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | L942 A945 T946 M949 A980 L982 Q986 C987 A988 I1011 T1073 | L942-V984 HydrophobicContact CD1-CB 4.39Å; L942-V984 HydrophobicContact CD1-CG1 3.94Å; L942-V984 HydrophobicContact CD1-CG2 4.29Å; A945-V984 HydrophobicContact CB-CG2 3.85Å; T946-V984 HydrophobicContact CG2-CG2 3.67Å; M949-V984 HydrophobicContact SD-CB 4.49Å; M949-V984 HydrophobicContact SD-CG2 3.76Å; A980-V984 WeakPolarHBondContact O-CG2 3.38Å; A980-V984 PolarHBondContact O-N 2.68Å; A980-V984 VanDerWaalsContact O-N 3.15Å; L982-V984 VanDerWaalsContact C-N 3.28Å; L982-V984 PolarHBondContact O-N 3.04Å; V984-Q986 VanDerWaalsContact C-N 3.32Å; V984-Q986 PolarHBondContact O-N 3.17Å; V984-C987 PolarHBondContact O-N 2.77Å; V984-A988 VanDerWaalsContact O-CB 3.28Å; V984-A988 WeakPolarHBondContact O-CB 3.42Å; V984-A988 PolarHBondContact O-N 3.05Å; V984-I1011 HydrophobicContact CG1-CD1 3.91Å; V984-T1073 HydrophobicContact CG1-CG2 4.36Å |
| 985 | N | 93.2 | Very high | 93 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.4 | -44.6 | 175.1 | -178.9 | -90.4 | 0 | 0 | 0 | 111.4 | S981 L982 A988 K989 S1008 D1009 | S981-N985 WeakPolarHBondContact O-CB 3.28Å; S981-N985 PolarHBondContact O-N 3.21Å; L982-N985 PolarHBondContact O-N 3.16Å; N985-A988 PolarHBondContact O-N 3.46Å; N985-K989 PolarHBondContact ND2-NZ 3.47Å; N985-K989 WeakPolarHBondContact O-CB 3.46Å; N985-K989 WeakPolarHBondContact O-CG 3.47Å; N985-K989 PolarHBondContact O-N 3.12Å; N985-K989 WeakPolarHBondContact OD1-CD 3.33Å; N985-K989 VanDerWaalsContact OD1-CE 3.25Å; N985-K989 WeakPolarHBondContact OD1-CE 3.32Å; N985-K989 PolarHBondContact OD1-NZ 3.36Å; N985-S1008 PolarHBondContact ND2-O 2.95Å; N985-D1009 PolarHBondContact ND2-OD1 3Å |
| 986 | Q | 94.2 | Very high | 93 | Very high | 111 Ų | 111 | 35 Ų | 35 | 52% | 0.519 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.9 | -45.3 | -179.9 | -177.3 | 61.4 | 16.4 | 0 | 0 | 112 | L982 D983 V984 K989 V990 | L982-Q986 WeakPolarHBondContact O-CB 3.39Å; L982-Q986 PolarHBondContact O-N 2.94Å; D983-Q986 PolarHBondContact O-N 2.96Å; V984-Q986 VanDerWaalsContact C-N 3.32Å; V984-Q986 PolarHBondContact O-N 3.17Å; Q986-K989 PolarHBondContact O-N 3.26Å; Q986-V990 WeakPolarHBondContact O-CG2 3.32Å; Q986-V990 PolarHBondContact O-N 3.32Å |
| 987 | C | 93.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 11% | 0.108 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | L942 D983 V984 K989 V990 L991 | L942-C987 HydrophobicContact CB-CB 4.01Å; L942-C987 HydrophobicContact CD1-CB 3.93Å; L942-C987 HydrophobicContact CG-CB 4.49Å; D983-C987 WeakPolarHBondContact O-CB 3.33Å; D983-C987 PolarHBondContact O-N 2.97Å; D983-C987 PolarHBondContact O-SG 3.4Å; V984-C987 PolarHBondContact O-N 2.77Å; C987-K989 VanDerWaalsContact C-N 3.35Å; C987-K989 PolarHBondContact O-N 2.93Å; C987-V990 PolarHBondContact O-N 3.06Å; C987-L991 WeakPolarHBondContact O-CB 3.22Å; C987-L991 PolarHBondContact O-N 2.98Å; C987-L991 VanDerWaalsContact O-N 3.09Å |
| 988 | A | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V984 N985 L991 A992 L1004 T1073 | V984-A988 VanDerWaalsContact O-CB 3.28Å; V984-A988 WeakPolarHBondContact O-CB 3.42Å; V984-A988 PolarHBondContact O-N 3.05Å; N985-A988 PolarHBondContact O-N 3.46Å; A988-L991 PolarHBondContact O-N 3.09Å; A988-A992 WeakPolarHBondContact O-CB 3.44Å; A988-A992 PolarHBondContact O-N 3.37Å; A988-L1004 HydrophobicContact CB-CD1 4.03Å; A988-L1004 HydrophobicContact CB-CG 4.29Å; A988-T1073 HydrophobicContact CB-CG2 4.06Å |
| 989 | K | 92.9 | Very high | 92.3 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 27% | 0.265 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 177.7 | -78.9 | 175.8 | 179.9 | 166.3 | 0 | 113.9 | N985 Q986 C987 K993 L1005 D1009 | N985-K989 PolarHBondContact ND2-NZ 3.47Å; N985-K989 WeakPolarHBondContact O-CB 3.46Å; N985-K989 WeakPolarHBondContact O-CG 3.47Å; N985-K989 PolarHBondContact O-N 3.12Å; N985-K989 WeakPolarHBondContact OD1-CD 3.33Å; N985-K989 VanDerWaalsContact OD1-CE 3.25Å; N985-K989 WeakPolarHBondContact OD1-CE 3.32Å; N985-K989 PolarHBondContact OD1-NZ 3.36Å; Q986-K989 PolarHBondContact O-N 3.26Å; C987-K989 VanDerWaalsContact C-N 3.35Å; C987-K989 PolarHBondContact O-N 2.93Å; K989-K993 VanDerWaalsContact O-CB 3.29Å; K989-K993 WeakPolarHBondContact O-CB 3.31Å; K989-K993 PolarHBondContact O-N 2.92Å; K989-L1005 HydrophobicContact CG-CD2 3.93Å; K989-D1009 WeakPolarHBondContact CE-OD1 3.39Å; K989-D1009 IonicContact NZ-OD1 2.71Å; K989-D1009 PolarHBondContact NZ-OD1 3.33Å; K989-D1009 IonicContact NZ-OD2 3.82Å |
| 990 | V | 91.8 | Very high | 92 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | Q986 C987 K993 E994 Y1090 | Q986-V990 WeakPolarHBondContact O-CG2 3.32Å; Q986-V990 PolarHBondContact O-N 3.32Å; C987-V990 PolarHBondContact O-N 3.06Å; V990-K993 PolarHBondContact O-N 2.97Å; V990-E994 PolarHBondContact O-N 3.46Å; V990-Y1090 HydrophobicContact CG1-CD1 4.04Å; V990-Y1090 HydrophobicContact CG1-CD2 4.46Å; V990-Y1090 HydrophobicContact CG1-CE1 4.02Å; V990-Y1090 HydrophobicContact CG1-CE2 4.45Å; V990-Y1090 HydrophobicContact CG1-CG 4.27Å |
| 991 | L | 92 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 177.2 | 178.9 | 51.5 | 0 | 0 | 0 | 112.6 | C987 A988 K993 E994 C995 L1004 A1077 A1080 M1084 F1092 | C987-L991 WeakPolarHBondContact O-CB 3.22Å; C987-L991 PolarHBondContact O-N 2.98Å; C987-L991 VanDerWaalsContact O-N 3.09Å; A988-L991 PolarHBondContact O-N 3.09Å; L991-K993 VanDerWaalsContact C-N 3.33Å; L991-K993 PolarHBondContact O-N 2.95Å; L991-E994 CarbonylContact O-C 3.57Å; L991-E994 PolarHBondContact O-N 3.13Å; L991-E994 VanDerWaalsContact O-N 3.17Å; L991-C995 PolarHBondContact O-N 2.79Å; L991-L1004 HydrophobicContact CB-CD2 4.26Å; L991-L1004 HydrophobicContact CD2-CD2 4.22Å; L991-L1004 HydrophobicContact CG-CD2 3.95Å; L991-A1077 HydrophobicContact CD2-CB 3.6Å; L991-A1077 WeakPolarHBondContact CD2-O 3.42Å; L991-A1080 HydrophobicContact CD1-CB 4.3Å; L991-A1080 HydrophobicContact CD2-CB 4.39Å; L991-A1080 HydrophobicContact CG-CB 4.05Å; L991-M1084 HydrophobicContact CD1-CE 4.38Å; L991-M1084 HydrophobicContact CD1-CG 3.77Å; L991-M1084 HydrophobicContact CD1-SD 3.55Å; L991-M1084 VanDerWaalsContact CD1-SD 3.55Å; L991-F1092 HydrophobicContact CB-CD2 4.39Å; L991-F1092 HydrophobicContact CB-CE2 3.73Å; L991-F1092 HydrophobicContact CB-CZ 3.92Å; L991-F1092 HydrophobicContact CD1-CD2 3.82Å; L991-F1092 HydrophobicContact CD1-CE2 3.98Å; L991-F1092 HydrophobicContact CD2-CD1 4.49Å; L991-F1092 HydrophobicContact CD2-CD2 4.27Å; L991-F1092 HydrophobicContact CD2-CE2 4.3Å; L991-F1092 HydrophobicContact CD2-CG 4.37Å; L991-F1092 HydrophobicContact CD2-CZ 4.42Å; L991-F1092 HydrophobicContact CG-CD2 4.39Å; L991-F1092 HydrophobicContact CG-CE2 4.22Å |
| 992 | A | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A988 E994 C995 R1001 L1004 L1005 | A988-A992 WeakPolarHBondContact O-CB 3.44Å; A988-A992 PolarHBondContact O-N 3.37Å; A992-E994 VanDerWaalsContact C-N 3.26Å; A992-E994 PolarHBondContact O-N 3.08Å; A992-C995 WeakPolarHBondContact O-CB 3.27Å; A992-C995 PolarHBondContact O-N 3.1Å; A992-R1001 HydrophobicContact CB-CG 4.17Å; A992-R1001 WeakPolarHBondContact O-CD 3.42Å; A992-R1001 WeakPolarHBondContact O-CG 3.38Å; A992-L1004 HydrophobicContact CB-CB 4.21Å; A992-L1004 HydrophobicContact CB-CD2 3.92Å; A992-L1004 HydrophobicContact CB-CG 4.07Å; A992-L1005 HydrophobicContact CB-CD2 3.7Å; A992-L1005 HydrophobicContact CB-CG 3.84Å |
| 993 | K | 91.4 | Very high | 90.9 | Very high | 139 Ų | 139 | 42.2 Ų | 42.2 | 60% | 0.604 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -56.9 | -40 | 176.2 | -177.5 | -167.7 | 168.6 | -156.9 | 0 | 112.1 | K989 V990 L991 R1085 | K989-K993 VanDerWaalsContact O-CB 3.29Å; K989-K993 WeakPolarHBondContact O-CB 3.31Å; K989-K993 PolarHBondContact O-N 2.92Å; V990-K993 PolarHBondContact O-N 2.97Å; L991-K993 VanDerWaalsContact C-N 3.33Å; L991-K993 PolarHBondContact O-N 2.95Å; K993-R1085 PolarHBondContact O-NH1 2.96Å; K993-R1085 PolarHBondContact O-NH2 3.04Å |
| 994 | E | 90.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -89.2 | -5.1 | -178.5 | -59.2 | -49.4 | 142.6 | 0 | 0 | 115 | V990 L991 A992 M1084 R1085 Y1090 | V990-E994 PolarHBondContact O-N 3.46Å; L991-E994 CarbonylContact O-C 3.57Å; L991-E994 PolarHBondContact O-N 3.13Å; L991-E994 VanDerWaalsContact O-N 3.17Å; A992-E994 VanDerWaalsContact C-N 3.26Å; A992-E994 PolarHBondContact O-N 3.08Å; E994-M1084 HydrophobicContact CB-CE 4.29Å; E994-M1084 CarbonylContact O-C 3.52Å; E994-M1084 WeakPolarHBondContact O-CA 3.43Å; E994-R1085 PolarHBondContact O-N 2.85Å; E994-R1085 IonicContact OE1-NH1 2.8Å; E994-R1085 IonicContact OE2-CZ 3.91Å; E994-R1085 IonicContact OE2-NH1 3.53Å; E994-R1085 PolarHBondContact OE2-NH1 3.22Å; E994-Y1090 HydrophobicContact CG-CD2 4.42Å |
| 995 | C | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -72 | 131 | 170.3 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | L991 A992 R1001 A1080 K1083 | L991-C995 PolarHBondContact O-N 2.79Å; A992-C995 WeakPolarHBondContact O-CB 3.27Å; A992-C995 PolarHBondContact O-N 3.1Å; C995-R1001 HydrophobicContact CB-CB 4.29Å; C995-R1001 PolarHBondContact O-NH1 3.48Å; C995-A1080 HydrophobicContact CB-CB 4.35Å; C995-K1083 WeakPolarHBondContact CA-O 3.39Å |
| 996 | T | 91.1 | Very high | 89.8 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | trans | -85.1 | -16.7 | 176.8 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | S583 E584 D585 K1083 R1085 | S583-T996 CarbonylContact C-O 3.59Å; S583-T996 WeakPolarHBondContact CA-O 3.21Å; E584-T996 HydrophobicContact CB-CG2 4.5Å; E584-T996 PolarHBondContact N-O 3.13Å; D585-T996 HydrophobicContact CB-CG2 4.27Å; T996-K1083 PolarHBondContact N-O 3.46Å; T996-K1083 PolarHBondContact OG1-O 2.79Å; T996-R1085 HydrophobicContact CG2-CB 4.41Å; T996-R1085 HydrophobicContact CG2-CG 3.44Å; T996-R1085 VanDerWaalsContact CG2-CG 3.44Å | ||
| 997 | D | 91 | Very high | 89.3 | Confident | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -87 | 116.7 | 179.8 | -167.8 | -62 | 0 | 0 | 0 | 110.6 | N582 R999 I1000 R1001 K1083 | N582-D997 PolarHBondContact ND2-OD1 3.02Å; N582-D997 PolarHBondContact ND2-OD2 3.29Å; N582-D997 PolarHBondContact OD1-OD1 3.49Å; D997-R999 PolarHBondContact OD1-N 2.97Å; D997-R999 VanDerWaalsContact OD1-N 3.13Å; D997-I1000 HydrophobicContact CB-CB 4.11Å; D997-I1000 HydrophobicContact CB-CD1 3.94Å; D997-I1000 HydrophobicContact CB-CG1 4.16Å; D997-I1000 PolarHBondContact OD1-N 3.03Å; D997-I1000 VanDerWaalsContact OD1-N 3.15Å; D997-R1001 WeakPolarHBondContact O-CB 3.49Å; D997-R1001 PolarHBondContact O-N 2.98Å; D997-K1083 HydrophobicContact CB-CB 4.2Å; D997-K1083 HydrophobicContact CB-CG 4.15Å |
| 998 | R | 89.3 | Confident | 89.1 | Confident | 102 Ų | 102 | 40.2 Ų | 40.2 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.3 | -42.8 | -175.3 | -65.7 | -177.7 | -164.5 | -65.5 | -13.1 | 112.2 | D581 N582 E584 S1002 | D581-R998 WeakPolarHBondContact O-CD 3.46Å; D581-R998 PolarHBondContact O-NE 2.88Å; N582-R998 WeakPolarHBondContact O-CG 3.28Å; N582-R998 PolarHBondContact O-N 2.94Å; E584-R998 IonicContact OE1-CZ 2.85Å; E584-R998 IonicContact OE1-NH1 3.63Å; E584-R998 PolarHBondContact OE1-NH1 3.49Å; E584-R998 IonicContact OE1-NH2 3.16Å; R998-S1002 WeakPolarHBondContact O-CB 3.44Å; R998-S1002 PolarHBondContact O-N 2.9Å; R998-S1002 PolarHBondContact O-OG 3.03Å |
| 999 | R | 86.2 | Confident | 88.6 | Confident | 82 Ų | 82 | 43.4 Ų | 43.4 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.1 | -51.7 | 178.5 | -80.1 | 175.5 | -61 | -174.5 | -0.2 | 111.3 | E579 N582 D997 R1001 S1002 N1003 | E579-R999 VanDerWaalsContact CD-NH2 3.27Å; E579-R999 IonicContact OE1-CZ 2.67Å; E579-R999 IonicContact OE1-NH1 3.81Å; E579-R999 PolarHBondContact OE1-NH1 2.88Å; E579-R999 IonicContact OE1-NH2 3.22Å; E579-R999 PolarHBondContact OE1-NH2 3.38Å; E579-R999 VanDerWaalsContact OE1-NH2 3.15Å; E579-R999 IonicContact OE2-CZ 2.62Å; E579-R999 IonicContact OE2-NH2 3.47Å; E579-R999 PolarHBondContact OE2-NH2 2.9Å; N582-R999 PolarHBondContact ND2-NE 3.13Å; N582-R999 PolarHBondContact ND2-NH2 3.35Å; N582-R999 WeakPolarHBondContact OD1-CG 3.46Å; N582-R999 PolarHBondContact OD1-N 2.99Å; N582-R999 PolarHBondContact OD1-NE 3.45Å; D997-R999 PolarHBondContact OD1-N 2.97Å; D997-R999 VanDerWaalsContact OD1-N 3.13Å; R999-R1001 VanDerWaalsContact C-N 3.31Å; R999-R1001 PolarHBondContact O-N 3.33Å; R999-S1002 PolarHBondContact O-N 3.42Å; R999-N1003 PolarHBondContact O-N 3.42Å |
| 1000 | I | 87.2 | Confident | 88 | Confident | 45 Ų | 45 | 42.4 Ų | 42.4 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | -178.4 | -60.1 | 172.1 | 0 | 0 | 0 | 110.2 | D997 N1003 L1004 V1076 A1080 K1083 | D997-I1000 HydrophobicContact CB-CB 4.11Å; D997-I1000 HydrophobicContact CB-CD1 3.94Å; D997-I1000 HydrophobicContact CB-CG1 4.16Å; D997-I1000 PolarHBondContact OD1-N 3.03Å; D997-I1000 VanDerWaalsContact OD1-N 3.15Å; I1000-N1003 PolarHBondContact O-N 3.5Å; I1000-L1004 WeakPolarHBondContact O-CB 3.42Å; I1000-L1004 PolarHBondContact O-N 2.75Å; I1000-V1076 HydrophobicContact CG2-CG1 4.17Å; I1000-A1080 HydrophobicContact CG2-CB 3.75Å; I1000-K1083 HydrophobicContact CD1-CG 4.18Å |
| 1001 | R | 90.7 | Very high | 87.8 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 175.1 | 176.8 | 169.4 | 71.2 | -152.8 | 12.2 | 112.7 | E584 A992 C995 D997 R999 N1003 L1004 L1005 | E584-R1001 IonicContact OE1-CZ 3.33Å; E584-R1001 IonicContact OE1-NH1 2.76Å; E584-R1001 PolarHBondContact OE1-NH1 3.43Å; E584-R1001 IonicContact OE1-NH2 2.68Å; E584-R1001 PolarHBondContact OE1-NH2 3.08Å; E584-R1001 IonicContact OE2-CZ 3.82Å; E584-R1001 IonicContact OE2-NH1 3.96Å; E584-R1001 PolarHBondContact OE2-NH1 3.22Å; E584-R1001 IonicContact OE2-NH2 2.75Å; A992-R1001 HydrophobicContact CB-CG 4.17Å; A992-R1001 WeakPolarHBondContact O-CD 3.42Å; A992-R1001 WeakPolarHBondContact O-CG 3.38Å; C995-R1001 HydrophobicContact CB-CB 4.29Å; C995-R1001 PolarHBondContact O-NH1 3.48Å; D997-R1001 WeakPolarHBondContact O-CB 3.49Å; D997-R1001 PolarHBondContact O-N 2.98Å; R999-R1001 VanDerWaalsContact C-N 3.31Å; R999-R1001 PolarHBondContact O-N 3.33Å; R1001-N1003 VanDerWaalsContact C-N 3.31Å; R1001-N1003 PolarHBondContact O-N 3.24Å; R1001-L1004 PolarHBondContact O-N 3.11Å; R1001-L1005 HydrophobicContact CG-CD1 4.04Å; R1001-L1005 HydrophobicContact CG-CG 4.45Å; R1001-L1005 WeakPolarHBondContact O-CG 3.22Å; R1001-L1005 PolarHBondContact O-N 3.07Å |
| 1002 | S | 86.2 | Confident | 87.5 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 52% | 0.517 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -38.4 | -179.2 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | R998 R999 H1006 | R998-S1002 WeakPolarHBondContact O-CB 3.44Å; R998-S1002 PolarHBondContact O-N 2.9Å; R998-S1002 PolarHBondContact O-OG 3.03Å; R999-S1002 PolarHBondContact O-N 3.42Å; S1002-H1006 WeakPolarHBondContact O-CB 3.31Å; S1002-H1006 PolarHBondContact O-N 2.94Å |
| 1003 | N | 82.3 | Confident | 87.1 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.5 | -51.6 | 173.2 | -165.4 | 12.6 | 0 | 0 | 0 | 111 | R999 I1000 R1001 L1005 H1006 L1007 V1076 | R999-N1003 PolarHBondContact O-N 3.42Å; I1000-N1003 PolarHBondContact O-N 3.5Å; R1001-N1003 VanDerWaalsContact C-N 3.31Å; R1001-N1003 PolarHBondContact O-N 3.24Å; N1003-L1005 VanDerWaalsContact C-N 3.27Å; N1003-L1005 PolarHBondContact O-N 2.95Å; N1003-H1006 PolarHBondContact O-N 3.29Å; N1003-H1006 VanDerWaalsContact O-N 3.09Å; N1003-L1007 WeakPolarHBondContact O-CG 3.27Å; N1003-L1007 PolarHBondContact O-N 3.22Å; N1003-V1076 HydrophobicContact CB-CG1 4.3Å |
| 1004 | L | 89 | Confident | 86.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -37.4 | -179.7 | -171.5 | 55 | 0 | 0 | 0 | 113 | A988 L991 A992 I1000 R1001 S1008 T1073 V1076 A1077 A1080 | A988-L1004 HydrophobicContact CB-CD1 4.03Å; A988-L1004 HydrophobicContact CB-CG 4.29Å; L991-L1004 HydrophobicContact CB-CD2 4.26Å; L991-L1004 HydrophobicContact CD2-CD2 4.22Å; L991-L1004 HydrophobicContact CG-CD2 3.95Å; A992-L1004 HydrophobicContact CB-CB 4.21Å; A992-L1004 HydrophobicContact CB-CD2 3.92Å; A992-L1004 HydrophobicContact CB-CG 4.07Å; I1000-L1004 WeakPolarHBondContact O-CB 3.42Å; I1000-L1004 PolarHBondContact O-N 2.75Å; R1001-L1004 PolarHBondContact O-N 3.11Å; L1004-S1008 VanDerWaalsContact O-CB 3.31Å; L1004-S1008 WeakPolarHBondContact O-CB 3.3Å; L1004-S1008 PolarHBondContact O-N 3.44Å; L1004-T1073 HydrophobicContact CD1-CG2 3.94Å; L1004-V1076 HydrophobicContact CB-CG1 3.86Å; L1004-V1076 HydrophobicContact CD1-CB 4.38Å; L1004-V1076 HydrophobicContact CD1-CG1 4.21Å; L1004-A1077 HydrophobicContact CD1-CB 4.23Å; L1004-A1080 HydrophobicContact CD2-CB 3.8Å |
| 1005 | L | 88.6 | Confident | 86.6 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 32% | 0.319 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65 | -50.9 | 173.5 | -70.9 | 173.2 | 0 | 0 | 0 | 111.7 | K989 A992 R1001 N1003 L1007 S1008 D1009 | K989-L1005 HydrophobicContact CG-CD2 3.93Å; A992-L1005 HydrophobicContact CB-CD2 3.7Å; A992-L1005 HydrophobicContact CB-CG 3.84Å; R1001-L1005 HydrophobicContact CG-CD1 4.04Å; R1001-L1005 HydrophobicContact CG-CG 4.45Å; R1001-L1005 WeakPolarHBondContact O-CG 3.22Å; R1001-L1005 PolarHBondContact O-N 3.07Å; N1003-L1005 VanDerWaalsContact C-N 3.27Å; N1003-L1005 PolarHBondContact O-N 2.95Å; L1005-L1007 VanDerWaalsContact C-N 3.34Å; L1005-L1007 PolarHBondContact O-N 3.42Å; L1005-S1008 PolarHBondContact O-N 3.36Å; L1005-S1008 VanDerWaalsContact O-N 3.12Å; L1005-S1008 PolarHBondContact O-OG 3.2Å; L1005-D1009 PolarHBondContact O-N 2.94Å |
| 1006 | H | 82.5 | Confident | 86.4 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.2 | -47.3 | 179.2 | 178.1 | 68.4 | 0 | 0 | 0 | 112 | S1002 N1003 S1008 D1009 R1010 | S1002-H1006 WeakPolarHBondContact O-CB 3.31Å; S1002-H1006 PolarHBondContact O-N 2.94Å; N1003-H1006 PolarHBondContact O-N 3.29Å; N1003-H1006 VanDerWaalsContact O-N 3.09Å; H1006-S1008 PolarHBondContact O-N 3.1Å; H1006-D1009 PolarHBondContact O-N 3.23Å; H1006-R1010 WeakPolarHBondContact O-CB 3.31Å; H1006-R1010 PolarHBondContact O-N 3.45Å |
| 1007 | L | 82.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 176.4 | -62.1 | 180 | 0 | 0 | 0 | 112.3 | N1003 L1005 D1009 R1010 I1011 E1072 T1073 V1076 | N1003-L1007 WeakPolarHBondContact O-CG 3.27Å; N1003-L1007 PolarHBondContact O-N 3.22Å; L1005-L1007 VanDerWaalsContact C-N 3.34Å; L1005-L1007 PolarHBondContact O-N 3.42Å; L1007-D1009 PolarHBondContact O-N 2.91Å; L1007-R1010 PolarHBondContact O-N 3.07Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.33Å; L1007-I1011 PolarHBondContact O-N 3.08Å; L1007-E1072 HydrophobicContact CD1-CB 4.38Å; L1007-E1072 HydrophobicContact CD1-CG 3.74Å; L1007-E1072 VanDerWaalsContact CD2-CD 3.41Å; L1007-E1072 HydrophobicContact CD2-CG 4.31Å; L1007-E1072 WeakPolarHBondContact CD2-OE2 3.39Å; L1007-T1073 WeakPolarHBondContact CB-OG1 3.2Å; L1007-V1076 HydrophobicContact CD1-CB 4.16Å; L1007-V1076 HydrophobicContact CD1-CG2 3.72Å |
| 1008 | S | 88.3 | Confident | 86 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.5 | 78.8 | 0 | 0 | 0 | 0 | 112.1 | N985 L1004 L1005 H1006 I1011 L1012 | N985-S1008 PolarHBondContact ND2-O 2.95Å; L1004-S1008 VanDerWaalsContact O-CB 3.31Å; L1004-S1008 WeakPolarHBondContact O-CB 3.3Å; L1004-S1008 PolarHBondContact O-N 3.44Å; L1005-S1008 PolarHBondContact O-N 3.36Å; L1005-S1008 VanDerWaalsContact O-N 3.12Å; L1005-S1008 PolarHBondContact O-OG 3.2Å; H1006-S1008 PolarHBondContact O-N 3.1Å; S1008-I1011 WeakPolarHBondContact O-CB 3.3Å; S1008-I1011 PolarHBondContact O-N 3.46Å; S1008-L1012 PolarHBondContact O-N 3.48Å |
| 1009 | D | 84.3 | Confident | 85.9 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -76.8 | -26.4 | -178.4 | -73.7 | -36.5 | 0 | 0 | 0 | 112.5 | N985 K989 L1005 H1006 L1007 L1012 T1013 | N985-D1009 PolarHBondContact ND2-OD1 3Å; K989-D1009 WeakPolarHBondContact CE-OD1 3.39Å; K989-D1009 IonicContact NZ-OD1 2.71Å; K989-D1009 PolarHBondContact NZ-OD1 3.33Å; K989-D1009 IonicContact NZ-OD2 3.82Å; L1005-D1009 PolarHBondContact O-N 2.94Å; H1006-D1009 PolarHBondContact O-N 3.23Å; L1007-D1009 PolarHBondContact O-N 2.91Å; D1009-L1012 PolarHBondContact O-N 3.05Å; D1009-T1013 WeakPolarHBondContact O-CB 3.38Å; D1009-T1013 PolarHBondContact O-N 3.47Å; D1009-T1013 PolarHBondContact O-OG1 3.45Å |
| 1010 | R | 80 | Confident | 85.9 | Confident | 40 Ų | 40 | 44.6 Ų | 44.6 | 15% | 0.151 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 165.6 | -166.2 | 179.5 | 72.2 | -143 | -0.7 | 111.7 | H1006 L1007 L1012 T1013 I1014 S1069 E1072 | H1006-R1010 WeakPolarHBondContact O-CB 3.31Å; H1006-R1010 PolarHBondContact O-N 3.45Å; L1007-R1010 PolarHBondContact O-N 3.07Å; R1010-L1012 VanDerWaalsContact C-N 3.31Å; R1010-L1012 PolarHBondContact O-N 3.08Å; R1010-T1013 WeakPolarHBondContact O-CB 3.34Å; R1010-T1013 PolarHBondContact O-N 2.94Å; R1010-T1013 VanDerWaalsContact O-N 3.12Å; R1010-I1014 HydrophobicContact CG-CD1 3.81Å; R1010-I1014 HydrophobicContact CG-CG1 4.3Å; R1010-I1014 WeakPolarHBondContact O-CG1 3.21Å; R1010-I1014 PolarHBondContact O-N 2.88Å; R1010-S1069 PolarHBondContact NE-OG 3.34Å; R1010-S1069 PolarHBondContact NH2-OG 3.05Å; R1010-E1072 IonicContact CZ-OE2 2.72Å; R1010-E1072 IonicContact NH1-OE2 3.15Å; R1010-E1072 IonicContact NH2-OE2 2.78Å; R1010-E1072 PolarHBondContact NH2-OE2 3.37Å |
| 1011 | I | 86.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 174.8 | -75.2 | 168.9 | 0 | 0 | 0 | 111.2 | V984 L1007 S1008 T1013 I1014 G1015 L1066 V1070 T1073 | V984-I1011 HydrophobicContact CG1-CD1 3.91Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.33Å; L1007-I1011 PolarHBondContact O-N 3.08Å; S1008-I1011 WeakPolarHBondContact O-CB 3.3Å; S1008-I1011 PolarHBondContact O-N 3.46Å; I1011-T1013 VanDerWaalsContact C-N 3.32Å; I1011-T1013 PolarHBondContact O-N 2.85Å; I1011-I1014 PolarHBondContact O-N 3.24Å; I1011-G1015 PolarHBondContact O-N 3.48Å; I1011-L1066 HydrophobicContact CG2-CD1 4.12Å; I1011-V1070 HydrophobicContact CD1-CB 4.44Å; I1011-V1070 HydrophobicContact CD1-CG2 3.8Å; I1011-V1070 HydrophobicContact CG1-CG2 4.13Å; I1011-V1070 HydrophobicContact CG2-CG2 4.46Å; I1011-T1073 HydrophobicContact CD1-CG2 4.07Å; I1011-T1073 WeakPolarHBondContact CD1-OG1 3.34Å |
| 1012 | L | 87.1 | Confident | 85.4 | Confident | 48 Ų | 48 | 42.1 Ų | 42.1 | 25% | 0.251 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.9 | -34.8 | 179 | -175.5 | 63 | 0 | 0 | 0 | 112.2 | L982 S1008 D1009 R1010 N1016 | L982-L1012 HydrophobicContact CD1-CD1 4.32Å; L982-L1012 HydrophobicContact CG-CD1 4.43Å; S1008-L1012 PolarHBondContact O-N 3.48Å; D1009-L1012 PolarHBondContact O-N 3.05Å; R1010-L1012 VanDerWaalsContact C-N 3.31Å; R1010-L1012 PolarHBondContact O-N 3.08Å; L1012-N1016 PolarHBondContact O-N 3.5Å; L1012-N1016 VanDerWaalsContact O-N 3.17Å; L1012-N1016 PolarHBondContact O-ND2 3.28Å |
| 1013 | T | 83.7 | Confident | 85.4 | Confident | 78 Ų | 78 | 41.7 Ų | 41.7 | 48% | 0.479 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.2 | -50.3 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | D1009 R1010 I1011 G1015 N1016 Q1017 | D1009-T1013 WeakPolarHBondContact O-CB 3.38Å; D1009-T1013 PolarHBondContact O-N 3.47Å; D1009-T1013 PolarHBondContact O-OG1 3.45Å; R1010-T1013 WeakPolarHBondContact O-CB 3.34Å; R1010-T1013 PolarHBondContact O-N 2.94Å; R1010-T1013 VanDerWaalsContact O-N 3.12Å; I1011-T1013 VanDerWaalsContact C-N 3.32Å; I1011-T1013 PolarHBondContact O-N 2.85Å; T1013-G1015 PolarHBondContact O-N 3.36Å; T1013-N1016 PolarHBondContact O-N 2.97Å; T1013-Q1017 PolarHBondContact O-N 3.11Å |
| 1014 | I | 82.7 | Confident | 85.6 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.8 | -59.9 | 167.8 | 0 | 0 | 0 | 110.6 | R1010 I1011 N1016 Q1017 L1018 N1062 N1065 L1066 | R1010-I1014 HydrophobicContact CG-CD1 3.81Å; R1010-I1014 HydrophobicContact CG-CG1 4.3Å; R1010-I1014 WeakPolarHBondContact O-CG1 3.21Å; R1010-I1014 PolarHBondContact O-N 2.88Å; I1011-I1014 PolarHBondContact O-N 3.24Å; I1014-N1016 VanDerWaalsContact C-N 3.27Å; I1014-N1016 PolarHBondContact O-N 2.79Å; I1014-Q1017 WeakPolarHBondContact O-CB 3.35Å; I1014-Q1017 PolarHBondContact O-N 3.38Å; I1014-Q1017 VanDerWaalsContact O-N 3.13Å; I1014-L1018 PolarHBondContact O-N 3.11Å; I1014-N1062 WeakPolarHBondContact CG2-O 3.48Å; I1014-N1062 PolarHBondContact O-OD1 3.02Å; I1014-N1065 HydrophobicContact CD1-CB 4.1Å; I1014-L1066 HydrophobicContact CB-CD1 4.16Å; I1014-L1066 HydrophobicContact CG2-CB 3.68Å; I1014-L1066 HydrophobicContact CG2-CD1 4.1Å; I1014-L1066 HydrophobicContact CG2-CG 4.4Å |
| 1015 | G | 87.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -33.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A978 I1011 T1013 K1019 | A978-G1015 WeakPolarHBondContact CB-O 3.35Å; I1011-G1015 PolarHBondContact O-N 3.48Å; T1013-G1015 PolarHBondContact O-N 3.36Å; G1015-K1019 PolarHBondContact O-N 3.44Å |
| 1016 | N | 86.2 | Confident | 84.9 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 41% | 0.412 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -74 | -39.1 | 172.2 | -78.6 | -54.5 | 0 | 0 | 0 | 112.6 | L1012 T1013 I1014 L1018 K1019 I1020 | L1012-N1016 PolarHBondContact O-N 3.5Å; L1012-N1016 VanDerWaalsContact O-N 3.17Å; L1012-N1016 PolarHBondContact O-ND2 3.28Å; T1013-N1016 PolarHBondContact O-N 2.97Å; I1014-N1016 VanDerWaalsContact C-N 3.27Å; I1014-N1016 PolarHBondContact O-N 2.79Å; N1016-L1018 VanDerWaalsContact C-N 3.32Å; N1016-L1018 PolarHBondContact O-N 3.2Å; N1016-K1019 PolarHBondContact O-N 2.63Å; N1016-I1020 PolarHBondContact O-N 2.89Å |
| 1017 | Q | 85.6 | Confident | 84.9 | Confident | 45 Ų | 45 | 39 Ų | 39 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 171.3 | -70.4 | 175.4 | -46.4 | 0 | 0 | 111.6 | T126 T1013 I1014 K1019 I1020 L1021 N1062 | T126-Q1017 PolarHBondContact OG1-NE2 2.95Å; T1013-Q1017 PolarHBondContact O-N 3.11Å; I1014-Q1017 WeakPolarHBondContact O-CB 3.35Å; I1014-Q1017 PolarHBondContact O-N 3.38Å; I1014-Q1017 VanDerWaalsContact O-N 3.13Å; Q1017-K1019 VanDerWaalsContact C-N 3.31Å; Q1017-K1019 PolarHBondContact O-N 3.33Å; Q1017-I1020 WeakPolarHBondContact O-CB 3.44Å; Q1017-I1020 PolarHBondContact O-N 3.29Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.15Å; Q1017-L1021 PolarHBondContact O-N 3.45Å; Q1017-N1062 VanDerWaalsContact CB-ND2 3.29Å; Q1017-N1062 WeakPolarHBondContact CB-ND2 3.17Å; Q1017-N1062 PolarHBondContact OE1-ND2 2.93Å; Q1017-N1062 VanDerWaalsContact OE1-ND2 3.11Å |
| 1018 | L | 88 | Confident | 84.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56 | -44.9 | 178.4 | -169.2 | 73.5 | 0 | 0 | 0 | 111.5 | M953 L956 I977 I1014 N1016 I1020 L1021 S1022 L1059 N1062 A1063 L1066 | M953-L1018 HydrophobicContact CE-CD2 4.49Å; L956-L1018 HydrophobicContact CD2-CD1 4.33Å; I977-L1018 HydrophobicContact CB-CD2 3.96Å; I977-L1018 HydrophobicContact CD1-CD2 4.23Å; I977-L1018 HydrophobicContact CG2-CD2 3.5Å; I1014-L1018 PolarHBondContact O-N 3.11Å; N1016-L1018 VanDerWaalsContact C-N 3.32Å; N1016-L1018 PolarHBondContact O-N 3.2Å; L1018-I1020 VanDerWaalsContact C-N 3.31Å; L1018-I1020 PolarHBondContact O-N 3.1Å; L1018-L1021 PolarHBondContact O-N 3.24Å; L1018-S1022 VanDerWaalsContact O-CB 3.25Å; L1018-S1022 WeakPolarHBondContact O-CB 3.41Å; L1018-S1022 PolarHBondContact O-N 2.88Å; L1018-S1022 PolarHBondContact O-OG 3.3Å; L1018-S1022 VanDerWaalsContact O-OG 3.04Å; L1018-L1059 HydrophobicContact CD1-CD1 3.74Å; L1018-N1062 WeakPolarHBondContact CA-OD1 3.11Å; L1018-N1062 WeakPolarHBondContact CB-OD1 3.25Å; L1018-N1062 WeakPolarHBondContact CD1-OD1 3.42Å; L1018-N1062 PolarHBondContact N-OD1 3.06Å; L1018-A1063 HydrophobicContact CD1-CB 4.48Å; L1018-L1066 HydrophobicContact CD2-CD2 3.97Å |
| 1019 | K | 87.2 | Confident | 83.4 | Confident | 80 Ų | 80 | 42.9 Ų | 42.9 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -40.9 | 175.6 | -68.5 | 170.1 | 64.4 | 174.5 | 0 | 112.3 | A978 G1015 N1016 Q1017 T1023 | A978-K1019 HydrophobicContact CB-CD 3.48Å; A978-K1019 VanDerWaalsContact CB-CD 3.48Å; A978-K1019 HydrophobicContact CB-CG 3.64Å; G1015-K1019 PolarHBondContact O-N 3.44Å; N1016-K1019 PolarHBondContact O-N 2.63Å; Q1017-K1019 VanDerWaalsContact C-N 3.31Å; Q1017-K1019 PolarHBondContact O-N 3.33Å; K1019-T1023 WeakPolarHBondContact O-CB 3.48Å; K1019-T1023 PolarHBondContact O-N 3.4Å; K1019-T1023 PolarHBondContact O-OG1 3.04Å |
| 1020 | I | 87 | Confident | 82.1 | Confident | 114 Ų | 114 | 41.5 Ų | 41.5 | 59% | 0.585 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67.5 | -53.8 | 179.4 | -62.4 | 167.6 | 0 | 0 | 0 | 109.5 | N1016 Q1017 L1018 S1022 T1023 V1024 | N1016-I1020 PolarHBondContact O-N 2.89Å; Q1017-I1020 WeakPolarHBondContact O-CB 3.44Å; Q1017-I1020 PolarHBondContact O-N 3.29Å; L1018-I1020 VanDerWaalsContact C-N 3.31Å; L1018-I1020 PolarHBondContact O-N 3.1Å; I1020-S1022 PolarHBondContact O-N 3.08Å; I1020-T1023 WeakPolarHBondContact O-CA 3.4Å; I1020-T1023 WeakPolarHBondContact O-CB 3.49Å; I1020-T1023 PolarHBondContact O-N 3.44Å; I1020-V1024 PolarHBondContact O-N 3.02Å |
| 1021 | L | 83.8 | Confident | 80.7 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 18% | 0.183 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | -180 | -68.6 | 168.1 | 0 | 0 | 0 | 112.3 | Q1017 L1018 T1023 V1024 K1025 L1059 N1062 | Q1017-L1021 WeakPolarHBondContact O-CG 3.15Å; Q1017-L1021 PolarHBondContact O-N 3.45Å; L1018-L1021 PolarHBondContact O-N 3.24Å; L1021-T1023 VanDerWaalsContact C-N 3.31Å; L1021-T1023 PolarHBondContact O-N 2.98Å; L1021-V1024 PolarHBondContact O-N 3.34Å; L1021-K1025 WeakPolarHBondContact O-CB 3.29Å; L1021-K1025 PolarHBondContact O-N 3.27Å; L1021-L1059 HydrophobicContact CB-CD1 3.85Å; L1021-N1062 HydrophobicContact CD1-CB 3.52Å |
| 1022 | S | 84.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.1 | -31.2 | 174.7 | -65.1 | 0 | 0 | 0 | 0 | 113 | S974 L1018 I1020 A1026 L1059 | S974-S1022 VanDerWaalsContact CB-CB 3.41Å; S974-S1022 WeakPolarHBondContact CB-OG 3.44Å; S974-S1022 WeakPolarHBondContact OG-CB 3.47Å; S974-S1022 PolarHBondContact OG-OG 3.19Å; L1018-S1022 VanDerWaalsContact O-CB 3.25Å; L1018-S1022 WeakPolarHBondContact O-CB 3.41Å; L1018-S1022 PolarHBondContact O-N 2.88Å; L1018-S1022 PolarHBondContact O-OG 3.3Å; L1018-S1022 VanDerWaalsContact O-OG 3.04Å; I1020-S1022 PolarHBondContact O-N 3.08Å; S1022-A1026 WeakPolarHBondContact O-CB 3.26Å; S1022-A1026 PolarHBondContact O-N 3.3Å; S1022-L1059 WeakPolarHBondContact OG-CD1 3.47Å |
| 1023 | T | 86.2 | Confident | 76.6 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.8 | -40.6 | 173.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | K1019 I1020 L1021 A1026 T1027 | K1019-T1023 WeakPolarHBondContact O-CB 3.48Å; K1019-T1023 PolarHBondContact O-N 3.4Å; K1019-T1023 PolarHBondContact O-OG1 3.04Å; I1020-T1023 WeakPolarHBondContact O-CA 3.4Å; I1020-T1023 WeakPolarHBondContact O-CB 3.49Å; I1020-T1023 PolarHBondContact O-N 3.44Å; L1021-T1023 VanDerWaalsContact C-N 3.31Å; L1021-T1023 PolarHBondContact O-N 2.98Å; T1023-A1026 PolarHBondContact O-N 2.93Å; T1023-T1027 PolarHBondContact O-N 3.45Å |
| 1024 | V | 85 | Confident | 74.4 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -52.1 | 174.3 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | I1020 L1021 A1026 T1027 M1028 N1055 | I1020-V1024 PolarHBondContact O-N 3.02Å; L1021-V1024 PolarHBondContact O-N 3.34Å; V1024-A1026 PolarHBondContact O-N 3.38Å; V1024-A1026 VanDerWaalsContact O-N 3.15Å; V1024-T1027 PolarHBondContact O-N 3.15Å; V1024-T1027 PolarHBondContact O-OG1 2.83Å; V1024-M1028 PolarHBondContact O-N 3Å; V1024-N1055 VanDerWaalsContact CG1-OD1 3.25Å; V1024-N1055 WeakPolarHBondContact CG1-OD1 3.34Å |
| 1025 | K | 80.8 | Confident | 72.3 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.035 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.2 | -35 | 175.8 | -178.1 | 62.3 | -177.1 | -178.4 | 0 | 112.3 | L970 L1021 M1028 L1029 D1052 T1056 L1059 | L970-K1025 HydrophobicContact CD2-CB 4.13Å; L970-K1025 HydrophobicContact CD2-CG 3.89Å; L1021-K1025 WeakPolarHBondContact O-CB 3.29Å; L1021-K1025 PolarHBondContact O-N 3.27Å; K1025-M1028 PolarHBondContact O-N 2.95Å; K1025-L1029 HydrophobicContact CD-CD1 4.41Å; K1025-L1029 HydrophobicContact CD-CG 4.36Å; K1025-L1029 HydrophobicContact CG-CD1 3.92Å; K1025-L1029 HydrophobicContact CG-CG 4.37Å; K1025-L1029 WeakPolarHBondContact O-CB 3.49Å; K1025-L1029 WeakPolarHBondContact O-CG 3.38Å; K1025-L1029 PolarHBondContact O-N 3.14Å; K1025-L1029 VanDerWaalsContact O-N 3.09Å; K1025-D1052 WeakPolarHBondContact CD-OD1 3.38Å; K1025-D1052 WeakPolarHBondContact CE-OD1 3.48Å; K1025-D1052 IonicContact NZ-OD1 2.86Å; K1025-D1052 PolarHBondContact NZ-OD1 3.13Å; K1025-D1052 IonicContact NZ-OD2 3.31Å; K1025-D1052 PolarHBondContact NZ-OD2 3.15Å; K1025-T1056 WeakPolarHBondContact CE-OG1 3.46Å; K1025-T1056 PolarHBondContact NZ-OG1 3.5Å; K1025-L1059 HydrophobicContact CB-CD2 4.37Å; K1025-L1059 HydrophobicContact CG-CD2 4.25Å |
| 1026 | A | 82.5 | Confident | 70 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.7 | -28.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | K967 L970 I971 S1022 T1023 V1024 M1028 | K967-A1026 WeakPolarHBondContact CD-O 3.42Å; K967-A1026 WeakPolarHBondContact CE-O 3.47Å; K967-A1026 WeakPolarHBondContact CG-O 3.46Å; K967-A1026 PolarHBondContact NZ-O 2.88Å; L970-A1026 HydrophobicContact CD2-CB 4.24Å; I971-A1026 HydrophobicContact CD1-CB 3.68Å; I971-A1026 HydrophobicContact CG1-CB 3.6Å; S1022-A1026 WeakPolarHBondContact O-CB 3.26Å; S1022-A1026 PolarHBondContact O-N 3.3Å; T1023-A1026 PolarHBondContact O-N 2.93Å; V1024-A1026 PolarHBondContact O-N 3.38Å; V1024-A1026 VanDerWaalsContact O-N 3.15Å; A1026-M1028 VanDerWaalsContact C-N 3.33Å |
| 1027 | T | 82 | Confident | 67.9 | Low | 94 Ų | 94 | 80.6 Ų | 80.6 | 58% | 0.577 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.1 | -38.2 | 172 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | K967 T1023 V1024 | K967-T1027 PolarHBondContact NZ-O 2.92Å; T1023-T1027 PolarHBondContact O-N 3.45Å; V1024-T1027 PolarHBondContact O-N 3.15Å; V1024-T1027 PolarHBondContact O-OG1 2.83Å |
| 1028 | M | 74.5 | Confident | 65.3 | Low | 23 Ų | 23 | 82.2 Ų | 82.2 | 11% | 0.113 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -75 | -31.8 | -176.3 | -54.1 | -166.5 | 82.8 | 0 | 0 | 114.6 | V1024 K1025 A1026 G1030 T1031 E1051 D1052 N1055 | V1024-M1028 PolarHBondContact O-N 3Å; K1025-M1028 PolarHBondContact O-N 2.95Å; A1026-M1028 VanDerWaalsContact C-N 3.33Å; M1028-G1030 PolarHBondContact O-N 3.05Å; M1028-T1031 PolarHBondContact O-N 3.43Å; M1028-T1031 PolarHBondContact O-OG1 3Å; M1028-E1051 HydrophobicContact CE-CB 3.76Å; M1028-E1051 HydrophobicContact CE-CG 3.62Å; M1028-E1051 HydrophobicContact SD-CG 4.15Å; M1028-D1052 HydrophobicContact CB-CB 4.46Å; M1028-D1052 VanDerWaalsContact CB-OD1 3.3Å; M1028-D1052 WeakPolarHBondContact CB-OD1 3.48Å; M1028-D1052 HydrophobicContact CE-CB 3.83Å; M1028-D1052 HydrophobicContact SD-CB 4.09Å; M1028-N1055 HydrophobicContact SD-CB 4.36Å |
| 1029 | L | 66.1 | Low | 62.6 | Low | 59 Ų | 59 | 86.2 Ų | 86.2 | 31% | 0.309 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 56.1 | -175 | -90.9 | 167.7 | 0 | 0 | 0 | 116.4 | K967 L970 K1025 | K967-L1029 WeakPolarHBondContact CE-O 3.45Å; K967-L1029 HydrophobicContact CG-CB 4.16Å; L970-L1029 HydrophobicContact CD2-CD1 3.56Å; K1025-L1029 HydrophobicContact CD-CD1 4.41Å; K1025-L1029 HydrophobicContact CD-CG 4.36Å; K1025-L1029 HydrophobicContact CG-CD1 3.92Å; K1025-L1029 HydrophobicContact CG-CG 4.37Å; K1025-L1029 WeakPolarHBondContact O-CB 3.49Å; K1025-L1029 WeakPolarHBondContact O-CG 3.38Å; K1025-L1029 PolarHBondContact O-N 3.14Å; K1025-L1029 VanDerWaalsContact O-N 3.09Å |
| 1030 | G | 55.4 | Low | 60 | Low | 37 Ų | 37 | 88.6 Ų | 88.6 | 38% | 0.381 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 165.7 | 24.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | M1028 | M1028-G1030 PolarHBondContact O-N 3.05Š|
| 1031 | T | 51.8 | Low | 57.6 | Low | 104 Ų | 104 | 90.8 Ų | 90.8 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -91.1 | 1 | 174.8 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | M1028 | M1028-T1031 PolarHBondContact O-N 3.43Å; M1028-T1031 PolarHBondContact O-OG1 3Å |
| 1032 | Q | 46 | Very low | 55.1 | Low | 133 Ų | 133 | 97.4 Ų | 97.4 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -105 | -25 | -175 | -67.4 | -177.2 | -8.6 | 0 | 0 | 114.7 | D1034 S1035 | Q1032-D1034 PolarHBondContact O-N 3.42Å; Q1032-S1035 PolarHBondContact O-OG 3.39Å |
| 1033 | D | 40.7 | Very low | 52.6 | Low | 148 Ų | 148 | 103 Ų | 103 | 79% | 0.791 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -16.9 | -172.1 | -73.3 | -39.1 | 0 | 0 | 0 | 115 | S1035 | D1033-S1035 PolarHBondContact O-N 2.76Š|
| 1034 | D | 38.5 | Very low | 50.1 | Low | 160 Ų | 160 | 108.7 Ų | 108.7 | 86% | 0.856 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 7.9 | -178.5 | -87.6 | -30.7 | 0 | 0 | 0 | 114.3 | Q1032 W1036 | Q1032-D1034 PolarHBondContact O-N 3.42Å; D1034-W1036 VanDerWaalsContact C-N 3.29Å; D1034-W1036 PolarHBondContact O-N 3Å; D1034-W1036 VanDerWaalsContact O-N 3.15Å |
| 1035 | S | 37.6 | Very low | 48.1 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 29.1 | -174.5 | 65.1 | 0 | 0 | 0 | 0 | 115.9 | Q1032 D1033 F1037 | Q1032-S1035 PolarHBondContact O-OG 3.39Å; D1033-S1035 PolarHBondContact O-N 2.76Å; S1035-F1037 PolarHBondContact O-N 3.45Å |
| 1036 | W | 41.1 | Very low | 46.2 | Very low | 233 Ų | 233 | 120.1 Ų | 120.1 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -20.8 | 177.8 | -165.5 | -79.7 | 0 | 0 | 0 | 114.1 | D1034 | D1034-W1036 VanDerWaalsContact C-N 3.29Å; D1034-W1036 PolarHBondContact O-N 3Å; D1034-W1036 VanDerWaalsContact O-N 3.15Å |
| 1037 | F | 40.5 | Very low | 44.2 | Very low | 199 Ų | 199 | 124.4 Ų | 124.4 | 87% | 0.873 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -103.1 | 105.7 | 175.2 | -86.3 | -88.5 | 0 | 0 | 0 | 111.9 | S1035 | S1035-F1037 PolarHBondContact O-N 3.45Š|
| 1038 | G | 31.8 | Very low | 42.7 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | -78.7 | 135.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1039 | A | 31.7 | Very low | 42.1 | Very low | 85 Ų | 85 | 122.6 Ų | 122.6 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | trans | -145.1 | 117.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1041 | A1039-L1041 PolarHBondContact O-N 3.38Å; A1039-L1041 VanDerWaalsContact O-N 3.17Å | ||
| 1040 | P | 33.1 | Very low | 42.1 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 84% | 0.844 | 70% | 0.703 | S | S | * | * | trans | -79.6 | 99.1 | 176.1 | 30.9 | -32.1 | 0 | 0 | 0 | 110.1 | ||||
| 1041 | L | 35.6 | Very low | 43 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -130.1 | 99.9 | 172.7 | -120.4 | 164.7 | 0 | 0 | 0 | 109.4 | A1039 S1043 | A1039-L1041 PolarHBondContact O-N 3.38Å; A1039-L1041 VanDerWaalsContact O-N 3.17Å; L1041-S1043 PolarHBondContact O-N 3.48Å | ||
| 1042 | Q | 31 | Very low | 43.9 | Very low | 174 Ų | 174 | 123.3 Ų | 123.3 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | -58.3 | 127.8 | 172.5 | -102.2 | 90.9 | 6.4 | 0 | 0 | 110.8 | ||||
| 1043 | S | 32.6 | Very low | 45.2 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 68% | 0.68 | S | S | * | * | S | Bend | 157.8 | -11.4 | 126.5 | 52.8 | 0 | 0 | 0 | 0 | 116.5 | L1041 | L1041-S1043 PolarHBondContact O-N 3.48Š| |
| 1044 | E | 34.5 | Very low | 46.6 | Very low | 186 Ų | 186 | 121.2 Ų | 121.2 | 87% | 0.869 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -114.4 | 4.8 | -171.9 | -71.3 | -171.3 | 134.9 | 0 | 0 | 116.6 | D1046 | E1044-D1046 PolarHBondContact O-N 3.02Š|
| 1045 | L | 41.5 | Very low | 48.6 | Very low | 170 Ų | 170 | 114.8 Ų | 114.8 | 89% | 0.89 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 0.9 | -168.2 | -135.8 | 77.3 | 0 | 0 | 0 | 116.9 | ||
| 1046 | D | 41.6 | Very low | 50.5 | Low | 129 Ų | 129 | 111.2 Ų | 111.2 | 69% | 0.69 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 0.6 | -167.1 | -136.3 | 6.7 | 0 | 0 | 0 | 114.9 | E1044 S1049 T1050 | E1044-D1046 PolarHBondContact O-N 3.02Å; D1046-S1049 PolarHBondContact O-OG 3.15Å; D1046-S1049 VanDerWaalsContact O-OG 3.13Å; D1046-S1049 PolarHBondContact OD1-OG 3Å; D1046-T1050 PolarHBondContact O-OG1 3.32Å |
| 1047 | C | 40.1 | Very low | 52.1 | Low | 95 Ų | 95 | 104.4 Ų | 104.4 | 64% | 0.642 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -82.3 | -32.3 | -178.1 | -165.4 | 0 | 0 | 0 | 0 | 112.8 | T1050 | C1047-T1050 PolarHBondContact O-OG1 3.26Å |
| 1048 | G | 49.8 | Very low | 53.9 | Low | 35 Ų | 35 | 97.6 Ų | 97.6 | 36% | 0.361 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -81.5 | -23.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1052 | G1048-D1052 WeakPolarHBondContact O-CB 3.43Å |
| 1049 | S | 62 | Low | 56.4 | Low | 45 Ų | 45 | 93.9 Ų | 93.9 | 32% | 0.315 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -75 | -40.1 | 176.5 | 44.8 | 0 | 0 | 0 | 0 | 112.2 | D1046 Q1053 | D1046-S1049 PolarHBondContact O-OG 3.15Å; D1046-S1049 VanDerWaalsContact O-OG 3.13Å; D1046-S1049 PolarHBondContact OD1-OG 3Å; S1049-Q1053 WeakPolarHBondContact O-CB 3.45Å; S1049-Q1053 PolarHBondContact O-N 2.74Å |
| 1050 | T | 67.5 | Low | 58.7 | Low | 73 Ų | 73 | 91 Ų | 91 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.8 | -49 | -175 | 39.8 | 0 | 0 | 0 | 0 | 112.2 | D1046 C1047 D1052 Q1053 E1054 | D1046-T1050 PolarHBondContact O-OG1 3.32Å; C1047-T1050 PolarHBondContact O-OG1 3.26Å; T1050-D1052 VanDerWaalsContact C-N 3.3Å; T1050-D1052 PolarHBondContact O-N 3.25Å; T1050-Q1053 PolarHBondContact O-N 3.28Å; T1050-E1054 PolarHBondContact O-N 3.18Å |
| 1051 | E | 73.1 | Confident | 60.6 | Low | 109 Ų | 109 | 85.2 Ų | 85.2 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -33.6 | 175.4 | -177.1 | -177.6 | -154.9 | 0 | 0 | 112.2 | M1028 N1055 | M1028-E1051 HydrophobicContact CE-CB 3.76Å; M1028-E1051 HydrophobicContact CE-CG 3.62Å; M1028-E1051 HydrophobicContact SD-CG 4.15Å; E1051-N1055 WeakPolarHBondContact O-CB 3.33Å; E1051-N1055 PolarHBondContact O-N 3.2Å; E1051-N1055 PolarHBondContact O-ND2 3.47Å |
| 1052 | D | 71.9 | Confident | 62.8 | Low | 33 Ų | 33 | 78 Ų | 78 | 18% | 0.176 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72.6 | -34.7 | 177.1 | -172.7 | 58.8 | 0 | 0 | 0 | 112 | K1025 M1028 G1048 T1050 T1056 | K1025-D1052 WeakPolarHBondContact CD-OD1 3.38Å; K1025-D1052 WeakPolarHBondContact CE-OD1 3.48Å; K1025-D1052 IonicContact NZ-OD1 2.86Å; K1025-D1052 PolarHBondContact NZ-OD1 3.13Å; K1025-D1052 IonicContact NZ-OD2 3.31Å; K1025-D1052 PolarHBondContact NZ-OD2 3.15Å; M1028-D1052 HydrophobicContact CB-CB 4.46Å; M1028-D1052 VanDerWaalsContact CB-OD1 3.3Å; M1028-D1052 WeakPolarHBondContact CB-OD1 3.48Å; M1028-D1052 HydrophobicContact CE-CB 3.83Å; M1028-D1052 HydrophobicContact SD-CB 4.09Å; G1048-D1052 WeakPolarHBondContact O-CB 3.43Å; T1050-D1052 VanDerWaalsContact C-N 3.3Å; T1050-D1052 PolarHBondContact O-N 3.25Å; D1052-T1056 WeakPolarHBondContact O-CB 3.42Å; D1052-T1056 PolarHBondContact O-N 3.48Å; D1052-T1056 PolarHBondContact O-OG1 2.92Å |
| 1053 | Q | 72.1 | Confident | 65.5 | Low | 101 Ų | 101 | 69.7 Ų | 69.7 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.8 | -48.6 | 171.7 | -178.9 | 63.1 | 22.8 | 0 | 0 | 111.4 | S1049 T1050 N1055 T1056 E1057 | S1049-Q1053 WeakPolarHBondContact O-CB 3.45Å; S1049-Q1053 PolarHBondContact O-N 2.74Å; T1050-Q1053 PolarHBondContact O-N 3.28Å; Q1053-N1055 VanDerWaalsContact C-N 3.34Å; Q1053-N1055 PolarHBondContact O-N 3.15Å; Q1053-T1056 WeakPolarHBondContact O-CA 3.22Å; Q1053-T1056 WeakPolarHBondContact O-CB 3.32Å; Q1053-T1056 PolarHBondContact O-N 3.03Å; Q1053-E1057 PolarHBondContact NE2-OE1 3.5Å; Q1053-E1057 PolarHBondContact O-N 2.95Å |
| 1054 | E | 71.8 | Confident | 67.7 | Low | 135 Ų | 135 | 65.1 Ų | 65.1 | 63% | 0.631 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.6 | -40.3 | 178 | -72.2 | -177.5 | 177.5 | 0 | 0 | 112.2 | T1050 T1056 E1057 S1058 | T1050-E1054 PolarHBondContact O-N 3.18Å; E1054-T1056 VanDerWaalsContact C-N 3.33Å; E1054-E1057 PolarHBondContact O-N 3.3Å; E1054-S1058 WeakPolarHBondContact O-CB 3.46Å; E1054-S1058 PolarHBondContact O-N 2.81Å; E1054-S1058 PolarHBondContact O-OG 2.93Å |
| 1055 | N | 79.2 | Confident | 69.7 | Low | 25 Ų | 25 | 57.1 Ų | 57.1 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 172.7 | -83.9 | -72.6 | 0 | 0 | 0 | 112.6 | V1024 M1028 E1051 Q1053 L1059 | V1024-N1055 VanDerWaalsContact CG1-OD1 3.25Å; V1024-N1055 WeakPolarHBondContact CG1-OD1 3.34Å; M1028-N1055 HydrophobicContact SD-CB 4.36Å; E1051-N1055 WeakPolarHBondContact O-CB 3.33Å; E1051-N1055 PolarHBondContact O-N 3.2Å; E1051-N1055 PolarHBondContact O-ND2 3.47Å; Q1053-N1055 VanDerWaalsContact C-N 3.34Å; Q1053-N1055 PolarHBondContact O-N 3.15Å; N1055-L1059 VanDerWaalsContact O-CB 3.3Å; N1055-L1059 WeakPolarHBondContact O-CB 3.5Å; N1055-L1059 PolarHBondContact O-N 3.29Å |
| 1056 | T | 78.6 | Confident | 72 | Confident | 24 Ų | 24 | 49 Ų | 49 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.5 | -45.2 | 175.4 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | V960 K1025 D1052 Q1053 E1054 S1058 L1059 V1060 | V960-T1056 HydrophobicContact CG1-CG2 4.22Å; K1025-T1056 WeakPolarHBondContact CE-OG1 3.46Å; K1025-T1056 PolarHBondContact NZ-OG1 3.5Å; D1052-T1056 WeakPolarHBondContact O-CB 3.42Å; D1052-T1056 PolarHBondContact O-N 3.48Å; D1052-T1056 PolarHBondContact O-OG1 2.92Å; Q1053-T1056 WeakPolarHBondContact O-CA 3.22Å; Q1053-T1056 WeakPolarHBondContact O-CB 3.32Å; Q1053-T1056 PolarHBondContact O-N 3.03Å; E1054-T1056 VanDerWaalsContact C-N 3.33Å; T1056-S1058 VanDerWaalsContact C-N 3.35Å; T1056-S1058 PolarHBondContact O-N 3.41Å; T1056-L1059 PolarHBondContact O-N 2.96Å; T1056-V1060 HydrophobicContact CG2-CG2 4.47Å; T1056-V1060 WeakPolarHBondContact O-CB 3.21Å; T1056-V1060 VanDerWaalsContact O-CG2 3.22Å; T1056-V1060 WeakPolarHBondContact O-CG2 3.36Å; T1056-V1060 PolarHBondContact O-N 2.74Å |
| 1057 | E | 74.2 | Confident | 74.2 | Confident | 90 Ų | 90 | 43 Ų | 43 | 42% | 0.421 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 176.3 | -70.5 | 179.5 | -164.1 | 0 | 0 | 111.6 | Q1053 E1054 L1059 V1060 G1061 | Q1053-E1057 PolarHBondContact NE2-OE1 3.5Å; Q1053-E1057 PolarHBondContact O-N 2.95Å; E1054-E1057 PolarHBondContact O-N 3.3Å; E1057-L1059 PolarHBondContact O-N 3.15Å; E1057-V1060 PolarHBondContact O-N 3.45Å; E1057-G1061 PolarHBondContact O-N 3.34Å |
| 1058 | S | 77.8 | Confident | 76 | Confident | 56 Ų | 56 | 40.9 Ų | 40.9 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | E1054 T1056 N1062 | E1054-S1058 WeakPolarHBondContact O-CB 3.46Å; E1054-S1058 PolarHBondContact O-N 2.81Å; E1054-S1058 PolarHBondContact O-OG 2.93Å; T1056-S1058 VanDerWaalsContact C-N 3.35Å; T1056-S1058 PolarHBondContact O-N 3.41Å; S1058-N1062 VanDerWaalsContact O-CB 3.31Å; S1058-N1062 WeakPolarHBondContact O-CB 3.45Å; S1058-N1062 PolarHBondContact O-N 2.66Å |
| 1059 | L | 84.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 176.2 | -175.7 | 67.7 | 0 | 0 | 0 | 112.2 | V960 L1018 L1021 S1022 K1025 N1055 T1056 E1057 N1062 A1063 | V960-L1059 HydrophobicContact CG1-CD2 4.37Å; V960-L1059 HydrophobicContact CG2-CD2 3.63Å; L1018-L1059 HydrophobicContact CD1-CD1 3.74Å; L1021-L1059 HydrophobicContact CB-CD1 3.85Å; S1022-L1059 WeakPolarHBondContact OG-CD1 3.47Å; K1025-L1059 HydrophobicContact CB-CD2 4.37Å; K1025-L1059 HydrophobicContact CG-CD2 4.25Å; N1055-L1059 VanDerWaalsContact O-CB 3.3Å; N1055-L1059 WeakPolarHBondContact O-CB 3.5Å; N1055-L1059 PolarHBondContact O-N 3.29Å; T1056-L1059 PolarHBondContact O-N 2.96Å; E1057-L1059 PolarHBondContact O-N 3.15Å; L1059-N1062 PolarHBondContact O-N 3.35Å; L1059-A1063 VanDerWaalsContact O-CB 3.26Å; L1059-A1063 WeakPolarHBondContact O-CB 3.34Å; L1059-A1063 PolarHBondContact O-N 2.87Å |
| 1060 | V | 81 | Confident | 78.9 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -49.4 | 176 | 167.5 | 0 | 0 | 0 | 0 | 111 | P920 I921 T1056 E1057 A1063 Q1064 | P920-V1060 HydrophobicContact CB-CG1 3.64Å; P920-V1060 HydrophobicContact CG-CG1 3.62Å; P920-V1060 HydrophobicContact CG-CG2 4.11Å; I921-V1060 HydrophobicContact CD1-CG2 3.91Å; I921-V1060 HydrophobicContact CG1-CB 4.4Å; I921-V1060 HydrophobicContact CG1-CG2 3.89Å; T1056-V1060 HydrophobicContact CG2-CG2 4.47Å; T1056-V1060 WeakPolarHBondContact O-CB 3.21Å; T1056-V1060 VanDerWaalsContact O-CG2 3.22Å; T1056-V1060 WeakPolarHBondContact O-CG2 3.36Å; T1056-V1060 PolarHBondContact O-N 2.74Å; E1057-V1060 PolarHBondContact O-N 3.45Å; V1060-A1063 PolarHBondContact O-N 3.11Å; V1060-Q1064 WeakPolarHBondContact O-CG 3.26Å; V1060-Q1064 PolarHBondContact O-N 3.17Å |
| 1061 | G | 72.1 | Confident | 79.8 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1057 A1063 Q1064 N1065 | E1057-G1061 PolarHBondContact O-N 3.34Å; G1061-A1063 PolarHBondContact O-N 3.22Å; G1061-Q1064 PolarHBondContact O-N 3.42Å; G1061-N1065 PolarHBondContact O-N 3.36Å; G1061-N1065 PolarHBondContact O-ND2 2.64Å |
| 1062 | N | 82.8 | Confident | 80.1 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 176.7 | -168.8 | -93.1 | 0 | 0 | 0 | 112.2 | I1014 Q1017 L1018 L1021 S1058 L1059 Q1064 N1065 L1066 | I1014-N1062 WeakPolarHBondContact CG2-O 3.48Å; I1014-N1062 PolarHBondContact O-OD1 3.02Å; Q1017-N1062 VanDerWaalsContact CB-ND2 3.29Å; Q1017-N1062 WeakPolarHBondContact CB-ND2 3.17Å; Q1017-N1062 PolarHBondContact OE1-ND2 2.93Å; Q1017-N1062 VanDerWaalsContact OE1-ND2 3.11Å; L1018-N1062 WeakPolarHBondContact CA-OD1 3.11Å; L1018-N1062 WeakPolarHBondContact CB-OD1 3.25Å; L1018-N1062 WeakPolarHBondContact CD1-OD1 3.42Å; L1018-N1062 PolarHBondContact N-OD1 3.06Å; L1021-N1062 HydrophobicContact CD1-CB 3.52Å; S1058-N1062 VanDerWaalsContact O-CB 3.31Å; S1058-N1062 WeakPolarHBondContact O-CB 3.45Å; S1058-N1062 PolarHBondContact O-N 2.66Å; L1059-N1062 PolarHBondContact O-N 3.35Å; N1062-Q1064 PolarHBondContact O-N 2.78Å; N1062-N1065 PolarHBondContact O-N 3.27Å; N1062-L1066 PolarHBondContact O-N 3.37Å |
| 1063 | A | 86.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | I921 M953 L1018 L1059 V1060 G1061 L1066 M1067 | I921-A1063 HydrophobicContact CD1-CB 4.47Å; I921-A1063 HydrophobicContact CG1-CB 4.21Å; I921-A1063 HydrophobicContact CG2-CB 4.18Å; M953-A1063 HydrophobicContact CE-CB 3.6Å; M953-A1063 HydrophobicContact SD-CB 3.84Å; L1018-A1063 HydrophobicContact CD1-CB 4.48Å; L1059-A1063 VanDerWaalsContact O-CB 3.26Å; L1059-A1063 WeakPolarHBondContact O-CB 3.34Å; L1059-A1063 PolarHBondContact O-N 2.87Å; V1060-A1063 PolarHBondContact O-N 3.11Å; G1061-A1063 PolarHBondContact O-N 3.22Å; A1063-L1066 PolarHBondContact O-N 3.19Å; A1063-M1067 WeakPolarHBondContact O-CG 3.39Å; A1063-M1067 PolarHBondContact O-N 2.73Å; A1063-M1067 VanDerWaalsContact O-N 3.15Å |
| 1064 | Q | 79.5 | Confident | 81.8 | Confident | 20 Ų | 20 | 24.6 Ų | 24.6 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 176.6 | -75.3 | 171 | -15.7 | 0 | 0 | 112 | N264 P920 A924 V1060 G1061 N1062 L1066 M1067 Q1068 | N264-Q1064 PolarHBondContact ND2-NE2 3.2Å; P920-Q1064 VanDerWaalsContact CB-NE2 3.29Å; P920-Q1064 PolarHBondContact O-NE2 3.03Å; A924-Q1064 HydrophobicContact CB-CG 4.03Å; V1060-Q1064 WeakPolarHBondContact O-CG 3.26Å; V1060-Q1064 PolarHBondContact O-N 3.17Å; G1061-Q1064 PolarHBondContact O-N 3.42Å; N1062-Q1064 PolarHBondContact O-N 2.78Å; Q1064-L1066 VanDerWaalsContact C-N 3.28Å; Q1064-L1066 PolarHBondContact O-N 3.36Å; Q1064-M1067 PolarHBondContact O-N 2.61Å; Q1064-Q1068 WeakPolarHBondContact O-CB 3.32Å; Q1064-Q1068 PolarHBondContact O-N 3Å |
| 1065 | N | 77.5 | Confident | 82.3 | Confident | 18 Ų | 18 | 21.8 Ų | 21.8 | 10% | 0.096 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.3 | -33.1 | 178.4 | -75.2 | -74.6 | 0 | 0 | 0 | 112.4 | S128 I1014 G1061 N1062 S1069 | S128-N1065 PolarHBondContact O-ND2 3.05Å; I1014-N1065 HydrophobicContact CD1-CB 4.1Å; G1061-N1065 PolarHBondContact O-N 3.36Å; G1061-N1065 PolarHBondContact O-ND2 2.64Å; N1062-N1065 PolarHBondContact O-N 3.27Å; N1065-S1069 VanDerWaalsContact O-CB 3.23Å; N1065-S1069 WeakPolarHBondContact O-CB 3.5Å; N1065-S1069 PolarHBondContact O-N 3.35Å; N1065-S1069 PolarHBondContact O-OG 3.45Å |
| 1066 | L | 88 | Confident | 82.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -54.5 | 173.9 | -173.3 | 59.1 | 0 | 0 | 0 | 111.3 | M949 M953 I977 I1011 I1014 L1018 N1062 A1063 Q1064 Q1068 S1069 V1070 | M949-L1066 HydrophobicContact CE-CD1 4.16Å; M949-L1066 HydrophobicContact CE-CD2 3.95Å; M949-L1066 HydrophobicContact CE-CG 3.97Å; M953-L1066 HydrophobicContact CE-CD2 4.28Å; I977-L1066 HydrophobicContact CG2-CD2 3.56Å; I1011-L1066 HydrophobicContact CG2-CD1 4.12Å; I1014-L1066 HydrophobicContact CB-CD1 4.16Å; I1014-L1066 HydrophobicContact CG2-CB 3.68Å; I1014-L1066 HydrophobicContact CG2-CD1 4.1Å; I1014-L1066 HydrophobicContact CG2-CG 4.4Å; L1018-L1066 HydrophobicContact CD2-CD2 3.97Å; N1062-L1066 PolarHBondContact O-N 3.37Å; A1063-L1066 PolarHBondContact O-N 3.19Å; Q1064-L1066 VanDerWaalsContact C-N 3.28Å; Q1064-L1066 PolarHBondContact O-N 3.36Å; L1066-Q1068 VanDerWaalsContact C-N 3.33Å; L1066-Q1068 PolarHBondContact O-N 3.05Å; L1066-S1069 PolarHBondContact O-N 3.18Å; L1066-V1070 VanDerWaalsContact O-CG2 3.28Å; L1066-V1070 WeakPolarHBondContact O-CG2 3.07Å; L1066-V1070 PolarHBondContact O-N 3.29Å |
| 1067 | M | 88.8 | Confident | 83.1 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | -178.3 | -64.6 | -65.4 | 94.2 | 0 | 0 | 111.8 | A924 L928 M949 M953 A1063 Q1064 V1070 I1071 | A924-M1067 HydrophobicContact CB-CB 4Å; A924-M1067 HydrophobicContact CB-CG 3.86Å; L928-M1067 HydrophobicContact CB-SD 4.15Å; L928-M1067 HydrophobicContact CD2-CE 4.1Å; L928-M1067 HydrophobicContact CD2-SD 3.56Å; L928-M1067 VanDerWaalsContact CD2-SD 3.56Å; M949-M1067 HydrophobicContact CB-CE 4.23Å; M949-M1067 HydrophobicContact CE-CE 3.98Å; M953-M1067 HydrophobicContact CB-CE 4.23Å; M953-M1067 HydrophobicContact CB-SD 3.71Å; M953-M1067 HydrophobicContact CE-CE 3.68Å; M953-M1067 HydrophobicContact CE-CG 4.06Å; M953-M1067 HydrophobicContact CE-SD 4.22Å; M953-M1067 HydrophobicContact CG-CE 4.33Å; M953-M1067 HydrophobicContact CG-CG 3.94Å; M953-M1067 HydrophobicContact CG-SD 3.74Å; A1063-M1067 WeakPolarHBondContact O-CG 3.39Å; A1063-M1067 PolarHBondContact O-N 2.73Å; A1063-M1067 VanDerWaalsContact O-N 3.15Å; Q1064-M1067 PolarHBondContact O-N 2.61Å; M1067-V1070 PolarHBondContact O-N 3.37Å; M1067-I1071 WeakPolarHBondContact O-CG1 3.45Å; M1067-I1071 PolarHBondContact O-N 3.43Å |
| 1068 | Q | 78.3 | Confident | 83.7 | Confident | 51 Ų | 51 | 17.8 Ų | 17.8 | 24% | 0.238 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72 | -34.6 | 179.9 | -169.1 | 57.6 | 48.9 | 0 | 0 | 112.3 | F132 Q1064 L1066 V1070 I1071 E1072 | F132-Q1068 HydrophobicContact CB-CG 4.25Å; F132-Q1068 HydrophobicContact CD1-CB 4.47Å; F132-Q1068 HydrophobicContact CD1-CG 3.47Å; F132-Q1068 VanDerWaalsContact CD1-CG 3.47Å; F132-Q1068 HydrophobicContact CD2-CB 3.8Å; F132-Q1068 HydrophobicContact CD2-CG 3.69Å; F132-Q1068 HydrophobicContact CE1-CB 4.5Å; F132-Q1068 HydrophobicContact CE1-CG 3.58Å; F132-Q1068 HydrophobicContact CE2-CB 3.79Å; F132-Q1068 HydrophobicContact CE2-CG 3.75Å; F132-Q1068 HydrophobicContact CG-CB 4.13Å; F132-Q1068 HydrophobicContact CG-CG 3.53Å; F132-Q1068 HydrophobicContact CZ-CB 4.14Å; F132-Q1068 HydrophobicContact CZ-CG 3.68Å; Q1064-Q1068 WeakPolarHBondContact O-CB 3.32Å; Q1064-Q1068 PolarHBondContact O-N 3Å; L1066-Q1068 VanDerWaalsContact C-N 3.33Å; L1066-Q1068 PolarHBondContact O-N 3.05Å; Q1068-V1070 VanDerWaalsContact C-N 3.28Å; Q1068-V1070 PolarHBondContact O-N 3.38Å; Q1068-I1071 PolarHBondContact O-N 3.16Å; Q1068-E1072 PolarHBondContact O-N 2.99Å |
| 1069 | S | 82.4 | Confident | 84 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.7 | -36.5 | 170.1 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | R1010 N1065 L1066 T1073 | R1010-S1069 PolarHBondContact NE-OG 3.34Å; R1010-S1069 PolarHBondContact NH2-OG 3.05Å; N1065-S1069 VanDerWaalsContact O-CB 3.23Å; N1065-S1069 WeakPolarHBondContact O-CB 3.5Å; N1065-S1069 PolarHBondContact O-N 3.35Å; N1065-S1069 PolarHBondContact O-OG 3.45Å; L1066-S1069 PolarHBondContact O-N 3.18Å; S1069-T1073 VanDerWaalsContact O-CB 3.31Å; S1069-T1073 WeakPolarHBondContact O-CB 3.44Å; S1069-T1073 PolarHBondContact O-N 2.72Å; S1069-T1073 PolarHBondContact O-OG1 3.48Å |
| 1070 | V | 90.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.6 | -40.9 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L928 T946 M949 I1011 L1066 M1067 Q1068 T1073 L1074 | L928-V1070 HydrophobicContact CD1-CB 4.23Å; L928-V1070 HydrophobicContact CD1-CG1 3.63Å; L928-V1070 HydrophobicContact CD2-CB 4.33Å; L928-V1070 HydrophobicContact CD2-CG1 3.91Å; L928-V1070 HydrophobicContact CG-CG1 4.46Å; T946-V1070 HydrophobicContact CG2-CG1 3.27Å; M949-V1070 HydrophobicContact CE-CG2 3.83Å; M949-V1070 HydrophobicContact SD-CG1 4.47Å; M949-V1070 HydrophobicContact SD-CG2 3.91Å; I1011-V1070 HydrophobicContact CD1-CB 4.44Å; I1011-V1070 HydrophobicContact CD1-CG2 3.8Å; I1011-V1070 HydrophobicContact CG1-CG2 4.13Å; I1011-V1070 HydrophobicContact CG2-CG2 4.46Å; L1066-V1070 VanDerWaalsContact O-CG2 3.28Å; L1066-V1070 WeakPolarHBondContact O-CG2 3.07Å; L1066-V1070 PolarHBondContact O-N 3.29Å; M1067-V1070 PolarHBondContact O-N 3.37Å; Q1068-V1070 VanDerWaalsContact C-N 3.28Å; Q1068-V1070 PolarHBondContact O-N 3.38Å; V1070-T1073 PolarHBondContact O-N 2.77Å; V1070-L1074 WeakPolarHBondContact O-CG 3.33Å; V1070-L1074 PolarHBondContact O-N 2.93Å |
| 1071 | I | 84.9 | Confident | 84.5 | Confident | 11 Ų | 11 | 16.5 Ų | 16.5 | 6% | 0.056 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59 | -49.7 | 173.3 | -68.2 | 166.8 | 0 | 0 | 0 | 110.8 | A927 L928 E931 M1067 Q1068 T1073 L1074 H1075 | A927-I1071 HydrophobicContact CB-CD1 4.1Å; L928-I1071 HydrophobicContact CB-CD1 4.44Å; L928-I1071 HydrophobicContact CB-CG1 4.35Å; L928-I1071 HydrophobicContact CD1-CG1 3.74Å; E931-I1071 HydrophobicContact CG-CG2 4.4Å; M1067-I1071 WeakPolarHBondContact O-CG1 3.45Å; M1067-I1071 PolarHBondContact O-N 3.43Å; Q1068-I1071 PolarHBondContact O-N 3.16Å; I1071-T1073 VanDerWaalsContact C-N 3.32Å; I1071-T1073 PolarHBondContact O-N 3.02Å; I1071-L1074 WeakPolarHBondContact O-CB 3.44Å; I1071-L1074 PolarHBondContact O-N 3.49Å; I1071-L1074 VanDerWaalsContact O-N 3.14Å; I1071-H1075 PolarHBondContact O-N 2.73Å |
| 1072 | E | 80 | Confident | 85.1 | Confident | 42 Ų | 42 | 22.6 Ų | 22.6 | 20% | 0.196 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 177.9 | -166.9 | -171.2 | -176.8 | 0 | 0 | 111.6 | L131 F132 L1007 R1010 Q1068 L1074 H1075 V1076 | L131-E1072 WeakPolarHBondContact CD2-OE1 3.27Å; L131-E1072 WeakPolarHBondContact CD2-OE2 3.19Å; F132-E1072 HydrophobicContact CZ-CB 4.22Å; F132-E1072 WeakPolarHBondContact CZ-OE2 3.34Å; L1007-E1072 HydrophobicContact CD1-CB 4.38Å; L1007-E1072 HydrophobicContact CD1-CG 3.74Å; L1007-E1072 VanDerWaalsContact CD2-CD 3.41Å; L1007-E1072 HydrophobicContact CD2-CG 4.31Å; L1007-E1072 WeakPolarHBondContact CD2-OE2 3.39Å; R1010-E1072 IonicContact CZ-OE2 2.72Å; R1010-E1072 IonicContact NH1-OE2 3.15Å; R1010-E1072 IonicContact NH2-OE2 2.78Å; R1010-E1072 PolarHBondContact NH2-OE2 3.37Å; Q1068-E1072 PolarHBondContact O-N 2.99Å; E1072-L1074 VanDerWaalsContact C-N 3.3Å; E1072-L1074 PolarHBondContact O-N 2.86Å; E1072-H1075 PolarHBondContact O-N 2.99Å; E1072-V1076 WeakPolarHBondContact O-CG2 3.27Å; E1072-V1076 PolarHBondContact O-N 3.48Å |
| 1073 | T | 89 | Confident | 85.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -35.5 | 176.4 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | V984 A988 L1004 L1007 I1011 S1069 V1070 I1071 A1077 | V984-T1073 HydrophobicContact CG1-CG2 4.36Å; A988-T1073 HydrophobicContact CB-CG2 4.06Å; L1004-T1073 HydrophobicContact CD1-CG2 3.94Å; L1007-T1073 WeakPolarHBondContact CB-OG1 3.2Å; I1011-T1073 HydrophobicContact CD1-CG2 4.07Å; I1011-T1073 WeakPolarHBondContact CD1-OG1 3.34Å; S1069-T1073 VanDerWaalsContact O-CB 3.31Å; S1069-T1073 WeakPolarHBondContact O-CB 3.44Å; S1069-T1073 PolarHBondContact O-N 2.72Å; S1069-T1073 PolarHBondContact O-OG1 3.48Å; V1070-T1073 PolarHBondContact O-N 2.77Å; I1071-T1073 VanDerWaalsContact C-N 3.32Å; I1071-T1073 PolarHBondContact O-N 3.02Å; T1073-A1077 WeakPolarHBondContact O-CB 3.48Å; T1073-A1077 PolarHBondContact O-N 3.45Å |
| 1074 | L | 89.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 174.3 | -72.5 | 171.4 | 0 | 0 | 0 | 111.9 | L928 T932 L942 I943 T946 V1070 I1071 E1072 A1077 E1078 W1094 | L928-L1074 HydrophobicContact CD1-CD1 4.07Å; T932-L1074 HydrophobicContact CG2-CD1 3.58Å; L942-L1074 HydrophobicContact CD1-CD2 4.39Å; L942-L1074 HydrophobicContact CD2-CD2 3.95Å; L942-L1074 HydrophobicContact CG-CD2 3.76Å; I943-L1074 HydrophobicContact CD1-CD2 3.75Å; T946-L1074 HydrophobicContact CG2-CD1 4.16Å; T946-L1074 HydrophobicContact CG2-CD2 3.95Å; T946-L1074 HydrophobicContact CG2-CG 4.17Å; V1070-L1074 WeakPolarHBondContact O-CG 3.33Å; V1070-L1074 PolarHBondContact O-N 2.93Å; I1071-L1074 WeakPolarHBondContact O-CB 3.44Å; I1071-L1074 PolarHBondContact O-N 3.49Å; I1071-L1074 VanDerWaalsContact O-N 3.14Å; E1072-L1074 VanDerWaalsContact C-N 3.3Å; E1072-L1074 PolarHBondContact O-N 2.86Å; L1074-A1077 PolarHBondContact O-N 3.38Å; L1074-E1078 PolarHBondContact O-N 2.9Å; L1074-W1094 HydrophobicContact CD2-CH2 4.21Å; L1074-W1094 WeakPolarHBondContact O-CH2 3.42Å |
| 1075 | H | 83.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 29.8 Ų | 29.8 | 35% | 0.347 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 178.4 | -67.4 | 170.6 | 0 | 0 | 0 | 112.2 | E931 I1071 E1072 E1078 G1079 R1118 | E931-H1075 VanDerWaalsContact CD-NE2 3.32Å; E931-H1075 IonicContact OE1-CD2 2.78Å; E931-H1075 IonicContact OE1-CE1 3.02Å; E931-H1075 IonicContact OE1-NE2 2.69Å; E931-H1075 PolarHBondContact OE1-NE2 2.93Å; I1071-H1075 PolarHBondContact O-N 2.73Å; E1072-H1075 PolarHBondContact O-N 2.99Å; H1075-E1078 PolarHBondContact O-N 2.85Å; H1075-G1079 PolarHBondContact O-N 2.81Å; H1075-R1118 PolarHBondContact CD2-NH2 3.37Å |
| 1076 | V | 83.9 | Confident | 84.9 | Confident | 24 Ų | 24 | 33.8 Ų | 33.8 | 15% | 0.145 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.4 | -34.7 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | I1000 N1003 L1004 L1007 E1072 G1079 A1080 | I1000-V1076 HydrophobicContact CG2-CG1 4.17Å; N1003-V1076 HydrophobicContact CB-CG1 4.3Å; L1004-V1076 HydrophobicContact CB-CG1 3.86Å; L1004-V1076 HydrophobicContact CD1-CB 4.38Å; L1004-V1076 HydrophobicContact CD1-CG1 4.21Å; L1007-V1076 HydrophobicContact CD1-CB 4.16Å; L1007-V1076 HydrophobicContact CD1-CG2 3.72Å; E1072-V1076 WeakPolarHBondContact O-CG2 3.27Å; E1072-V1076 PolarHBondContact O-N 3.48Å; V1076-G1079 PolarHBondContact O-N 3.48Å; V1076-A1080 VanDerWaalsContact O-CB 3.32Å; V1076-A1080 WeakPolarHBondContact O-CB 3.41Å; V1076-A1080 PolarHBondContact O-N 3.43Å |
| 1077 | A | 90.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L942 L991 L1004 T1073 L1074 A1080 S1081 W1094 | L942-A1077 HydrophobicContact CD2-CB 3.61Å; L991-A1077 HydrophobicContact CD2-CB 3.6Å; L991-A1077 WeakPolarHBondContact CD2-O 3.42Å; L1004-A1077 HydrophobicContact CD1-CB 4.23Å; T1073-A1077 WeakPolarHBondContact O-CB 3.48Å; T1073-A1077 PolarHBondContact O-N 3.45Å; L1074-A1077 PolarHBondContact O-N 3.38Å; A1077-A1080 PolarHBondContact O-N 3.45Å; A1077-S1081 PolarHBondContact O-N 3.34Å; A1077-W1094 HydrophobicContact CB-CH2 4.41Å; A1077-W1094 HydrophobicContact CB-CZ2 4.06Å |
| 1078 | E | 86.3 | Confident | 83.2 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 176 | -167.4 | -179.5 | 160.5 | 0 | 0 | 110.9 | W935 L1074 H1075 A1080 S1081 W1094 R1118 | W935-E1078 VanDerWaalsContact CH2-OE1 3.25Å; W935-E1078 WeakPolarHBondContact CH2-OE1 3.46Å; W935-E1078 WeakPolarHBondContact CZ2-OE2 3.43Å; L1074-E1078 PolarHBondContact O-N 2.9Å; H1075-E1078 PolarHBondContact O-N 2.85Å; E1078-A1080 PolarHBondContact O-N 3.36Å; E1078-S1081 WeakPolarHBondContact O-CB 3.46Å; E1078-S1081 PolarHBondContact O-N 2.81Å; E1078-S1081 VanDerWaalsContact O-N 3.15Å; E1078-S1081 PolarHBondContact O-OG 3.41Å; E1078-W1094 HydrophobicContact CB-CD2 4.15Å; E1078-W1094 HydrophobicContact CB-CE3 4.27Å; E1078-W1094 HydrophobicContact CB-CH2 4.03Å; E1078-W1094 HydrophobicContact CB-CZ2 3.9Å; E1078-W1094 HydrophobicContact CB-CZ3 4.2Å; E1078-W1094 HydrophobicContact CG-CD2 3.82Å; E1078-W1094 HydrophobicContact CG-CE3 4.05Å; E1078-W1094 HydrophobicContact CG-CG 4.1Å; E1078-W1094 HydrophobicContact CG-CZ2 4.48Å; E1078-W1094 HydrophobicContact CG-CZ3 4.46Å; E1078-R1118 IonicContact OE1-CZ 3.98Å; E1078-R1118 IonicContact OE1-NH1 2.7Å; E1078-R1118 PolarHBondContact OE1-NH1 3.1Å; E1078-R1118 IonicContact OE2-CZ 2.89Å; E1078-R1118 IonicContact OE2-NH1 3.17Å; E1078-R1118 PolarHBondContact OE2-NH1 3.31Å; E1078-R1118 IonicContact OE2-NH2 3.39Å; E1078-R1118 PolarHBondContact OE2-NH2 2.83Å |
| 1079 | G | 84.2 | Confident | 82.9 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1075 V1076 S1081 I1082 | H1075-G1079 PolarHBondContact O-N 2.81Å; V1076-G1079 PolarHBondContact O-N 3.48Å; G1079-S1081 VanDerWaalsContact C-N 3.29Å; G1079-S1081 PolarHBondContact O-N 3.16Å; G1079-I1082 PolarHBondContact O-N 2.77Å |
| 1080 | A | 87.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L991 C995 I1000 L1004 V1076 A1077 E1078 I1082 K1083 M1084 | L991-A1080 HydrophobicContact CD1-CB 4.3Å; L991-A1080 HydrophobicContact CD2-CB 4.39Å; L991-A1080 HydrophobicContact CG-CB 4.05Å; C995-A1080 HydrophobicContact CB-CB 4.35Å; I1000-A1080 HydrophobicContact CG2-CB 3.75Å; L1004-A1080 HydrophobicContact CD2-CB 3.8Å; V1076-A1080 VanDerWaalsContact O-CB 3.32Å; V1076-A1080 WeakPolarHBondContact O-CB 3.41Å; V1076-A1080 PolarHBondContact O-N 3.43Å; A1077-A1080 PolarHBondContact O-N 3.45Å; E1078-A1080 PolarHBondContact O-N 3.36Å; A1080-I1082 VanDerWaalsContact C-N 3.26Å; A1080-I1082 PolarHBondContact O-N 3.12Å; A1080-K1083 CarbonylContact O-C 3.58Å; A1080-K1083 PolarHBondContact O-N 2.95Å; A1080-M1084 PolarHBondContact O-N 2.92Å |
| 1081 | S | 88.2 | Confident | 81.3 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -28.4 | -179.8 | 78.5 | 0 | 0 | 0 | 0 | 113.3 | A1077 E1078 G1079 K1083 W1094 | A1077-S1081 PolarHBondContact O-N 3.34Å; E1078-S1081 WeakPolarHBondContact O-CB 3.46Å; E1078-S1081 PolarHBondContact O-N 2.81Å; E1078-S1081 VanDerWaalsContact O-N 3.15Å; E1078-S1081 PolarHBondContact O-OG 3.41Å; G1079-S1081 VanDerWaalsContact C-N 3.29Å; G1079-S1081 PolarHBondContact O-N 3.16Å; S1081-K1083 PolarHBondContact O-N 3.08Å; S1081-W1094 VanDerWaalsContact OG-CD1 3.25Å; S1081-W1094 PolarHBondContact OG-NE1 2.97Å; S1081-W1094 VanDerWaalsContact OG-NE1 3.11Å |
| 1082 | I | 84.8 | Confident | 80.9 | Confident | 137 Ų | 137 | 59.8 Ų | 59.8 | 70% | 0.703 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.2 | -23.6 | 174.2 | -56.6 | 171.1 | 0 | 0 | 0 | 111.2 | G1079 A1080 | G1079-I1082 PolarHBondContact O-N 2.77Å; A1080-I1082 VanDerWaalsContact C-N 3.26Å; A1080-I1082 PolarHBondContact O-N 3.12Å |
| 1083 | K | 84.6 | Confident | 81 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 24.3 | -176.9 | -63.6 | -72.5 | -168.8 | 167.2 | 0 | 113 | C995 T996 D997 I1000 A1080 S1081 | C995-K1083 WeakPolarHBondContact CA-O 3.39Å; T996-K1083 PolarHBondContact N-O 3.46Å; T996-K1083 PolarHBondContact OG1-O 2.79Å; D997-K1083 HydrophobicContact CB-CB 4.2Å; D997-K1083 HydrophobicContact CB-CG 4.15Å; I1000-K1083 HydrophobicContact CD1-CG 4.18Å; A1080-K1083 CarbonylContact O-C 3.58Å; A1080-K1083 PolarHBondContact O-N 2.95Å; S1081-K1083 PolarHBondContact O-N 3.08Å |
| 1084 | M | 84 | Confident | 80.7 | Confident | 34 Ų | 34 | 61.5 Ų | 61.5 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -72.5 | 147.9 | 177.3 | -73.5 | 178.6 | 70 | 0 | 0 | 113.1 | L991 E994 A1080 V1086 Y1090 F1092 | L991-M1084 HydrophobicContact CD1-CE 4.38Å; L991-M1084 HydrophobicContact CD1-CG 3.77Å; L991-M1084 HydrophobicContact CD1-SD 3.55Å; L991-M1084 VanDerWaalsContact CD1-SD 3.55Å; E994-M1084 HydrophobicContact CB-CE 4.29Å; E994-M1084 CarbonylContact O-C 3.52Å; E994-M1084 WeakPolarHBondContact O-CA 3.43Å; A1080-M1084 PolarHBondContact O-N 2.92Å; M1084-V1086 PolarHBondContact O-N 3.32Å; M1084-Y1090 WeakPolarHBondContact CE-O 3.23Å; M1084-F1092 HydrophobicContact CE-CD2 4.27Å; M1084-F1092 HydrophobicContact SD-CD2 4.08Å |
| 1085 | R | 81.9 | Confident | 80.3 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | trans | -59.9 | 129.4 | 170.8 | -71.3 | -172.8 | -160.6 | 95.1 | 12.4 | 111 | E584 K993 E994 T996 H1087 S1088 | E584-R1085 IonicContact OE2-CZ 3.9Å; E584-R1085 IonicContact OE2-NH2 3.6Å; E584-R1085 PolarHBondContact OE2-NH2 3.49Å; K993-R1085 PolarHBondContact O-NH1 2.96Å; K993-R1085 PolarHBondContact O-NH2 3.04Å; E994-R1085 PolarHBondContact O-N 2.85Å; E994-R1085 IonicContact OE1-NH1 2.8Å; E994-R1085 IonicContact OE2-CZ 3.91Å; E994-R1085 IonicContact OE2-NH1 3.53Å; E994-R1085 PolarHBondContact OE2-NH1 3.22Å; T996-R1085 HydrophobicContact CG2-CB 4.41Å; T996-R1085 HydrophobicContact CG2-CG 3.44Å; T996-R1085 VanDerWaalsContact CG2-CG 3.44Å; R1085-H1087 PolarHBondContact O-N 3.19Å; R1085-S1088 VanDerWaalsContact O-CB 3.29Å; R1085-S1088 WeakPolarHBondContact O-CB 3.18Å; R1085-S1088 PolarHBondContact O-N 3.49Å; R1085-S1088 PolarHBondContact O-OG 2.92Å | ||
| 1086 | V | 72.1 | Confident | 80 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 62% | 0.618 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.3 | -177.9 | -165.3 | 0 | 0 | 0 | 0 | 113.4 | M1084 | M1084-V1086 PolarHBondContact O-N 3.32Š|
| 1087 | H | 71.8 | Confident | 79.3 | Confident | 173 Ų | 173 | 68.5 Ų | 68.5 | 80% | 0.801 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 10.7 | -178.9 | -55.6 | -48.5 | 0 | 0 | 0 | 114.3 | R1085 G1089 | R1085-H1087 PolarHBondContact O-N 3.19Å; H1087-G1089 VanDerWaalsContact C-N 3.27Å; H1087-G1089 PolarHBondContact O-N 3.07Å |
| 1088 | S | 69.9 | Low | 77.5 | Confident | 25 Ų | 25 | 73.5 Ų | 73.5 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | trans | -65 | -25.9 | -178 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | R1085 Y1090 | R1085-S1088 VanDerWaalsContact O-CB 3.29Å; R1085-S1088 WeakPolarHBondContact O-CB 3.18Å; R1085-S1088 PolarHBondContact O-N 3.49Å; R1085-S1088 PolarHBondContact O-OG 2.92Å; S1088-Y1090 VanDerWaalsContact O-CD2 3.31Å; S1088-Y1090 WeakPolarHBondContact O-CD2 3.46Å; S1088-Y1090 PolarHBondContact O-N 2.99Å | ||
| 1089 | G | 70.8 | Confident | 75.5 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 83% | 0.825 | 41% | 0.411 | S | S | * | . | trans | 74 | -24.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1087 | H1087-G1089 VanDerWaalsContact C-N 3.27Å; H1087-G1089 PolarHBondContact O-N 3.07Å | ||
| 1090 | Y | 71.1 | Confident | 73.2 | Confident | 140 Ų | 140 | 82.5 Ų | 82.5 | 55% | 0.549 | 43% | 0.427 | S | S | . | . | trans | -70.6 | 144.9 | 169.4 | -68.1 | -83.2 | 0 | 0 | 0 | 111.3 | V990 E994 M1084 S1088 | V990-Y1090 HydrophobicContact CG1-CD1 4.04Å; V990-Y1090 HydrophobicContact CG1-CD2 4.46Å; V990-Y1090 HydrophobicContact CG1-CE1 4.02Å; V990-Y1090 HydrophobicContact CG1-CE2 4.45Å; V990-Y1090 HydrophobicContact CG1-CG 4.27Å; E994-Y1090 HydrophobicContact CG-CD2 4.42Å; M1084-Y1090 WeakPolarHBondContact CE-O 3.23Å; S1088-Y1090 VanDerWaalsContact O-CD2 3.31Å; S1088-Y1090 WeakPolarHBondContact O-CD2 3.46Å; S1088-Y1090 PolarHBondContact O-N 2.99Å | ||
| 1091 | K | 69 | Low | 70.4 | Confident | 160 Ų | 160 | 89.8 Ų | 89.8 | 70% | 0.696 | 47% | 0.466 | S | S | * | . | trans | -144.8 | 106.5 | 178.2 | -172.6 | -178.3 | -178.3 | -178 | 0 | 110.6 | I1093 | K1091-I1093 HydrophobicContact CD-CD1 4.21Å; K1091-I1093 HydrophobicContact CD-CG1 4.15Å; K1091-I1093 HydrophobicContact CG-CG1 4.01Å | ||
| 1092 | F | 76.7 | Confident | 67.7 | Low | 32 Ų | 32 | 93.3 Ų | 93.3 | 14% | 0.14 | 48% | 0.483 | C | S | . | . | trans | -80.1 | 122.4 | 168.1 | -72.5 | -96 | 0 | 0 | 0 | 108.9 | L942 L991 M1084 | L942-F1092 HydrophobicContact CB-CE1 4.29Å; L991-F1092 HydrophobicContact CB-CD2 4.39Å; L991-F1092 HydrophobicContact CB-CE2 3.73Å; L991-F1092 HydrophobicContact CB-CZ 3.92Å; L991-F1092 HydrophobicContact CD1-CD2 3.82Å; L991-F1092 HydrophobicContact CD1-CE2 3.98Å; L991-F1092 HydrophobicContact CD2-CD1 4.49Å; L991-F1092 HydrophobicContact CD2-CD2 4.27Å; L991-F1092 HydrophobicContact CD2-CE2 4.3Å; L991-F1092 HydrophobicContact CD2-CG 4.37Å; L991-F1092 HydrophobicContact CD2-CZ 4.42Å; L991-F1092 HydrophobicContact CG-CD2 4.39Å; L991-F1092 HydrophobicContact CG-CE2 4.22Å; M1084-F1092 HydrophobicContact CE-CD2 4.27Å; M1084-F1092 HydrophobicContact SD-CD2 4.08Å | ||
| 1093 | I | 81.1 | Confident | 64.9 | Low | 41 Ų | 41 | 94 Ų | 94 | 21% | 0.21 | 49% | 0.488 | C | S | . | . | trans | -101.7 | 108 | -178.3 | -57.2 | -173.2 | 0 | 0 | 0 | 109.6 | D939 N940 K1091 N1095 | D939-I1093 HydrophobicContact CB-CD1 3.97Å; D939-I1093 HydrophobicContact CB-CG1 4.46Å; N940-I1093 PolarHBondContact ND2-O 3.41Å; K1091-I1093 HydrophobicContact CD-CD1 4.21Å; K1091-I1093 HydrophobicContact CD-CG1 4.15Å; K1091-I1093 HydrophobicContact CG-CG1 4.01Å; I1093-N1095 HydrophobicContact CG2-CB 4.36Å; I1093-N1095 VanDerWaalsContact CG2-ND2 3.3Å; I1093-N1095 WeakPolarHBondContact CG2-ND2 3.41Å; I1093-N1095 PolarHBondContact O-N 3.39Å | ||
| 1094 | W | 83.9 | Confident | 62.1 | Low | 37 Ų | 37 | 100.9 Ų | 100.9 | 14% | 0.14 | 51% | 0.513 | C | S | . | . | trans | -91.5 | 81.4 | 175.3 | -64.3 | 96.1 | 0 | 0 | 0 | 109.7 | W935 L942 I943 L1074 A1077 E1078 S1081 P1096 | W935-W1094 AromaticContact CD2-CE3 3.77Å; W935-W1094 HydrophobicContact CD2-CE3 3.77Å; W935-W1094 HydrophobicContact CD2-CZ3 4.27Å; W935-W1094 AromaticContact CE2-CE3 3.95Å; W935-W1094 HydrophobicContact CE3-CB 4.14Å; W935-W1094 AromaticContact CE3-CE3 3.92Å; W935-W1094 HydrophobicContact CE3-CE3 3.92Å; W935-W1094 HydrophobicContact CG-CE3 4.22Å; W935-W1094 HydrophobicContact CG-CZ3 4.38Å; W935-W1094 HydrophobicContact CH2-CE3 4.37Å; W935-W1094 HydrophobicContact CZ2-CE3 4.26Å; W935-W1094 HydrophobicContact CZ3-CB 3.82Å; W935-W1094 HydrophobicContact CZ3-CE3 4.21Å; L942-W1094 HydrophobicContact CD2-CH2 4.4Å; L942-W1094 HydrophobicContact CD2-CZ2 4.42Å; I943-W1094 HydrophobicContact CD1-CH2 4.41Å; I943-W1094 HydrophobicContact CD1-CZ3 3.89Å; I943-W1094 HydrophobicContact CG1-CZ3 4.31Å; L1074-W1094 HydrophobicContact CD2-CH2 4.21Å; L1074-W1094 WeakPolarHBondContact O-CH2 3.42Å; A1077-W1094 HydrophobicContact CB-CH2 4.41Å; A1077-W1094 HydrophobicContact CB-CZ2 4.06Å; E1078-W1094 HydrophobicContact CB-CD2 4.15Å; E1078-W1094 HydrophobicContact CB-CE3 4.27Å; E1078-W1094 HydrophobicContact CB-CH2 4.03Å; E1078-W1094 HydrophobicContact CB-CZ2 3.9Å; E1078-W1094 HydrophobicContact CB-CZ3 4.2Å; E1078-W1094 HydrophobicContact CG-CD2 3.82Å; E1078-W1094 HydrophobicContact CG-CE3 4.05Å; E1078-W1094 HydrophobicContact CG-CG 4.1Å; E1078-W1094 HydrophobicContact CG-CZ2 4.48Å; E1078-W1094 HydrophobicContact CG-CZ3 4.46Å; S1081-W1094 VanDerWaalsContact OG-CD1 3.25Å; S1081-W1094 PolarHBondContact OG-NE1 2.97Å; S1081-W1094 VanDerWaalsContact OG-NE1 3.11Å; W1094-P1096 WeakPolarHBondContact O-CD 3.42Å | ||
| 1095 | N | 79.9 | Confident | 59.3 | Low | 79 Ų | 79 | 105.8 Ų | 105.8 | 42% | 0.422 | 54% | 0.54 | S | S | . | . | trans | -95.5 | 112 | 177.5 | -87.4 | -26.7 | 0 | 0 | 0 | 110.6 | S936 I1093 | S936-N1095 PolarHBondContact N-O 2.81Å; I1093-N1095 HydrophobicContact CG2-CB 4.36Å; I1093-N1095 VanDerWaalsContact CG2-ND2 3.3Å; I1093-N1095 WeakPolarHBondContact CG2-ND2 3.41Å; I1093-N1095 PolarHBondContact O-N 3.39Å | ||
| 1096 | P | 79.5 | Confident | 56.8 | Low | 88 Ų | 88 | 109.6 Ų | 109.6 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | B | Isolated β-bridge | trans | -67.8 | 136.6 | 174 | -18.4 | 31.7 | 0 | 0 | 0 | 111.7 | L934 W935 W1094 N1098 | L934-P1096 CarbonylContact O-C 3.59Å; L934-P1096 WeakPolarHBondContact O-CA 3.44Å; W935-P1096 HydrophobicContact CE3-CG 4.43Å; W935-P1096 HydrophobicContact CZ3-CG 3.88Å; W1094-P1096 WeakPolarHBondContact O-CD 3.42Å; P1096-N1098 PolarHBondContact O-N 2.96Å |
| 1097 | R | 68.7 | Low | 54.9 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 30% | 0.302 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 116.6 | 172 | -75.5 | -171 | 159.8 | 170.1 | -1.6 | 110.1 | E905 D907 L934 K1099 | E905-R1097 IonicContact OE2-NH2 3.58Å; D907-R1097 VanDerWaalsContact CG-NH2 3.28Å; D907-R1097 IonicContact OD1-NH2 3.98Å; D907-R1097 IonicContact OD2-CZ 3.44Å; D907-R1097 IonicContact OD2-NH1 2.67Å; D907-R1097 PolarHBondContact OD2-NH1 3.47Å; D907-R1097 IonicContact OD2-NH2 3.53Å; D907-R1097 PolarHBondContact OD2-NH2 3.48Å; L934-R1097 PolarHBondContact O-N 3.33Å; R1097-K1099 PolarHBondContact O-N 3.49Å |
| 1098 | N | 51.1 | Low | 53.1 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.6 | 168.4 | -69.4 | -50.3 | 0 | 0 | 0 | 108.7 | P1096 S1100 K1111 | P1096-N1098 PolarHBondContact O-N 2.96Å; N1098-S1100 PolarHBondContact O-N 2.87Å; N1098-K1111 WeakPolarHBondContact OD1-CE 3.36Å; N1098-K1111 PolarHBondContact OD1-NZ 2.79Å |
| 1099 | K | 46.2 | Very low | 51.4 | Low | 158 Ų | 158 | 109 Ų | 109 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | trans | -72.8 | 53.1 | 172 | -67.3 | -173.6 | 174.7 | -176 | 0 | 112.1 | R1097 | R1097-K1099 PolarHBondContact O-N 3.49Š| ||
| 1100 | S | 35.1 | Very low | 49.7 | Very low | 92 Ų | 92 | 108.3 Ų | 108.3 | 64% | 0.643 | 55% | 0.546 | S | S | * | . | trans | -89.2 | -11.7 | -177.2 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | N1098 | N1098-S1100 PolarHBondContact O-N 2.87Š| ||
| 1101 | N | 27.9 | Very low | 48 | Very low | 153 Ų | 153 | 108.9 Ų | 108.9 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -113.3 | -0.7 | -172.3 | -67.8 | 15.9 | 0 | 0 | 0 | 114.4 | ||
| 1102 | L | 31.3 | Very low | 46.3 | Very low | 100 Ų | 100 | 107.2 Ų | 107.2 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -94.7 | 140.9 | 164.8 | -73.3 | 101.6 | 0 | 0 | 0 | 110 | E909 | E909-L1102 WeakPolarHBondContact OE2-CD1 3.47Å; E909-L1102 WeakPolarHBondContact OE2-CD2 3.29Å; E909-L1102 WeakPolarHBondContact OE2-CG 3.16Å |
| 1103 | N | 26.5 | Very low | 44.2 | Very low | 152 Ų | 152 | 108 Ų | 108 | 81% | 0.813 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -45.2 | 132.9 | -166.7 | -75.8 | -44.5 | 0 | 0 | 0 | 116.1 | N1105 | N1103-N1105 PolarHBondContact O-N 3.22Š|
| 1104 | Y | 25.3 | Very low | 42 | Very low | 213 Ų | 213 | 111.7 Ų | 111.7 | 84% | 0.835 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 27.6 | 82.6 | 145.8 | -78.3 | -88.8 | 0 | 0 | 0 | 117.6 | ||
| 1105 | N | 26.4 | Very low | 39.6 | Very low | 138 Ų | 138 | 113.3 Ų | 113.3 | 74% | 0.738 | 58% | 0.58 | S | S | * | * | -173.8 | 162.5 | 106.9 | -96.1 | -47.1 | 0 | 0 | 0 | 113.7 | N1103 N1107 | N1103-N1105 PolarHBondContact O-N 3.22Å; N1105-N1107 PolarHBondContact O-N 3.3Å | |||
| 1106 | N | 28.4 | Very low | 37.2 | Very low | 154 Ų | 154 | 113.3 Ų | 113.3 | 82% | 0.824 | 58% | 0.579 | S | S | * | * | trans | -57 | 122.2 | -172.4 | -62.3 | -52.3 | 0 | 0 | 0 | 114 | ||||
| 1107 | N | 32.3 | Very low | 34.9 | Very low | 80 Ų | 80 | 111.6 Ų | 111.6 | 43% | 0.428 | 57% | 0.567 | S | S | . | * | trans | -157.2 | 100.5 | 151.2 | -125.2 | -42.4 | 0 | 0 | 0 | 114.3 | N1105 N1109 | N1105-N1107 PolarHBondContact O-N 3.3Å; N1107-N1109 VanDerWaalsContact C-N 3.27Å; N1107-N1109 WeakPolarHBondContact OD1-CB 3.43Å; N1107-N1109 PolarHBondContact OD1-ND2 3.06Å | ||
| 1108 | T | 33.8 | Very low | 33.1 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | trans | -76.3 | -12.1 | 169.5 | 39.3 | 0 | 0 | 0 | 0 | 113.3 | N1110 | T1108-N1110 PolarHBondContact O-N 2.72Š| ||
| 1109 | N | 35.1 | Very low | 32.2 | Very low | 79 Ų | 79 | 115.4 Ų | 115.4 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -15.9 | -167 | -58.5 | -56.9 | 0 | 0 | 0 | 115.1 | N1107 K1111 Q1112 | N1107-N1109 VanDerWaalsContact C-N 3.27Å; N1107-N1109 WeakPolarHBondContact OD1-CB 3.43Å; N1107-N1109 PolarHBondContact OD1-ND2 3.06Å; N1109-K1111 PolarHBondContact O-N 2.91Å; N1109-Q1112 PolarHBondContact O-N 3.18Å |
| 1110 | N | 34.5 | Very low | 31.5 | Very low | 67 Ų | 67 | 113.1 Ų | 113.1 | 36% | 0.358 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.3 | -16.3 | -178.7 | -77.5 | -26.3 | 0 | 0 | 0 | 114.1 | T1108 Q1112 | T1108-N1110 PolarHBondContact O-N 2.72Å; N1110-Q1112 VanDerWaalsContact C-N 3.31Å; N1110-Q1112 PolarHBondContact O-N 2.83Å |
| 1111 | K | 35.8 | Very low | 31.3 | Very low | 151 Ų | 151 | 114.3 Ų | 114.3 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.2 | -19.2 | 178.7 | -66.8 | -167.8 | 176 | -172.9 | 0 | 114.5 | N1098 N1109 | N1098-K1111 WeakPolarHBondContact OD1-CE 3.36Å; N1098-K1111 PolarHBondContact OD1-NZ 2.79Å; N1109-K1111 PolarHBondContact O-N 2.91Å |
| 1112 | Q | 32.1 | Very low | 31.5 | Very low | 126 Ų | 126 | 112 Ų | 112 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -87.3 | -27 | 177.3 | -75.9 | -177.8 | -34.3 | 0 | 0 | 113.3 | N1109 N1110 S1115 I1116 | N1109-Q1112 PolarHBondContact O-N 3.18Å; N1110-Q1112 VanDerWaalsContact C-N 3.31Å; N1110-Q1112 PolarHBondContact O-N 2.83Å; Q1112-S1115 CarbonylContact O-C 3.58Å; Q1112-S1115 PolarHBondContact O-N 3.29Å; Q1112-S1115 VanDerWaalsContact O-N 3.14Å; Q1112-S1115 PolarHBondContact O-OG 3.38Å; Q1112-I1116 HydrophobicContact CB-CD1 4.03Å; Q1112-I1116 WeakPolarHBondContact O-CB 3.49Å; Q1112-I1116 WeakPolarHBondContact O-CD1 3.46Å; Q1112-I1116 VanDerWaalsContact O-CG1 3.22Å; Q1112-I1116 WeakPolarHBondContact O-CG1 3.42Å; Q1112-I1116 PolarHBondContact O-N 3.5Å |
| 1113 | I | 34.3 | Very low | 31.5 | Very low | 49 Ų | 49 | 112.8 Ų | 112.8 | 25% | 0.251 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.8 | -44.6 | -172.4 | -49.9 | 174.5 | 0 | 0 | 0 | 110.6 | M371 S1115 I1116 | M371-I1113 HydrophobicContact CE-CD1 3.82Å; M371-I1113 HydrophobicContact CE-CG1 4.49Å; M371-I1113 HydrophobicContact SD-CD1 3.55Å; M371-I1113 VanDerWaalsContact SD-CD1 3.55Å; I1113-S1115 PolarHBondContact O-N 2.86Å; I1113-I1116 PolarHBondContact O-N 2.87Å |
| 1114 | Y | 33.1 | Very low | 31.9 | Very low | 118 Ų | 118 | 110.1 Ų | 110.1 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -3.1 | 175 | -88 | -90.9 | 0 | 0 | 0 | 114.6 | L934 | L934-Y1114 HydrophobicContact CD1-CE1 3.86Å; L934-Y1114 WeakPolarHBondContact CD1-OH 3.31Å |
| 1115 | S | 34.5 | Very low | 32.3 | Very low | 71 Ų | 71 | 102.8 Ų | 102.8 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 24.9 | 178.7 | 78.7 | 0 | 0 | 0 | 0 | 113 | Q1112 I1113 R1118 | Q1112-S1115 CarbonylContact O-C 3.58Å; Q1112-S1115 PolarHBondContact O-N 3.29Å; Q1112-S1115 VanDerWaalsContact O-N 3.14Å; Q1112-S1115 PolarHBondContact O-OG 3.38Å; I1113-S1115 PolarHBondContact O-N 2.86Å; S1115-R1118 WeakPolarHBondContact CA-OXT 3.38Å |
| 1116 | I | 30.5 | Very low | 32.8 | Very low | 79 Ų | 79 | 100.1 Ų | 100.1 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -14.3 | 173.8 | -77.8 | 171.9 | 0 | 0 | 0 | 110.8 | A378 Q1112 I1113 | A378-I1116 HydrophobicContact CB-CG2 3.91Å; Q1112-I1116 HydrophobicContact CB-CD1 4.03Å; Q1112-I1116 WeakPolarHBondContact O-CB 3.49Å; Q1112-I1116 WeakPolarHBondContact O-CD1 3.46Å; Q1112-I1116 VanDerWaalsContact O-CG1 3.22Å; Q1112-I1116 WeakPolarHBondContact O-CG1 3.42Å; Q1112-I1116 PolarHBondContact O-N 3.5Å; I1113-I1116 PolarHBondContact O-N 2.87Å |
| 1117 | V | 30.6 | Very low | 33.2 | Very low | 52 Ų | 52 | 95.6 Ų | 95.6 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | trans | -113.5 | -10.7 | 177 | -166.2 | 0 | 0 | 0 | 0 | 111 | L277 Q281 | L277-V1117 HydrophobicContact CD2-CG1 4.33Å; Q281-V1117 VanDerWaalsContact NE2-CG2 3.31Å | ||
| 1118 | R | 31.2 | Very low | 33.2 | Very low | 147 Ų | 147 | 97 Ų | 97 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | trans | -124.7 | 0 | 165.1 | -68.4 | 169.6 | 162.5 | -160.8 | -8.9 | 107.1 | H1075 E1078 S1115 | H1075-R1118 PolarHBondContact CD2-NH2 3.37Å; E1078-R1118 IonicContact OE1-CZ 3.98Å; E1078-R1118 IonicContact OE1-NH1 2.7Å; E1078-R1118 PolarHBondContact OE1-NH1 3.1Å; E1078-R1118 IonicContact OE2-CZ 2.89Å; E1078-R1118 IonicContact OE2-NH1 3.17Å; E1078-R1118 PolarHBondContact OE2-NH1 3.31Å; E1078-R1118 IonicContact OE2-NH2 3.39Å; E1078-R1118 PolarHBondContact OE2-NH2 2.83Å; S1115-R1118 WeakPolarHBondContact CA-OXT 3.38Å |
Retrieved 1,118 of 1,118 residues in 903.6 ms
(Link to these results)